#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2g n ASP 3 N 0.00 3.44 0.00 4.52 9.92 -1.26 -1.36 116.55 131.81 3i2g n ASP 3 Ca 0.00 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 3i2g n ASP 3 Cb 0.00 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 3i2g n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i2g n GLY 4 N 2.04 3.23 3.90 0.44 0.00 -1.17 -5.06 105.19 108.57 3i2g n GLY 4 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3i2g n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2g s ASN 5 N -0.40 6.49 0.25 1.61 -0.87 -0.46 -4.57 114.94 117.00 3i2g s ASN 5 Ca 0.00 0.70 -0.17 0.00 -1.57 0.00 0.00 52.86 51.82 3i2g s ASN 5 Cb 0.00 -2.14 0.01 0.00 -0.02 0.00 0.00 41.25 39.10 3i2g s ASN 5 CO 0.00 -0.09 0.57 -0.72 -2.57 0.00 0.00 177.10 174.29 3i2g s TYR 6 N -1.89 0.08 0.16 2.20 1.13 -1.26 -1.19 117.35 116.58 3i2g s TYR 6 Ca 0.43 -0.47 0.07 0.00 -1.41 0.00 0.00 57.07 55.70 3i2g s TYR 6 Cb -0.11 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 3i2g s TYR 6 CO 0.26 -1.06 -0.15 -1.54 -2.51 0.00 0.00 175.55 170.54 3i2g s SER 7 N -2.96 2.38 -0.11 -0.18 1.04 -0.52 -4.91 113.70 108.45 3i2g s SER 7 Ca 0.16 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.71 3i2g s SER 7 Cb -0.03 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3i2g s SER 7 CO 0.06 -0.12 -0.15 -0.69 0.98 0.00 0.00 173.24 173.32 3i2g s VAL 8 N -2.37 1.47 -0.14 5.02 1.01 -1.26 -1.29 120.40 122.84 3i2g s VAL 8 Ca 0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3i2g s VAL 8 Cb -0.04 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3i2g s VAL 8 CO 0.05 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.48 3i2g s ALA 9 N 1.03 2.68 -0.08 5.51 0.00 -0.64 -4.96 121.76 125.30 3i2g s ALA 9 Ca -0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3i2g s ALA 9 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3i2g s ALA 9 CO -0.02 0.15 0.07 -1.12 0.00 0.00 0.00 175.76 174.84 3i2g s SER 10 N 0.50 5.72 -1.26 0.00 0.01 -1.26 -0.98 113.70 116.43 3i2g s SER 10 Ca -0.08 0.26 -0.07 0.00 1.31 0.00 0.00 55.95 57.36 3i2g s SER 10 Cb -0.15 -1.71 0.01 0.00 0.21 0.00 0.00 66.02 64.37 3i2g s SER 10 CO 0.04 0.37 0.99 0.59 0.41 0.00 0.00 173.24 175.63 3i2g n ASN 11 N 1.88 -5.95 -4.65 2.44 3.02 -0.87 -4.97 115.26 106.16 3i2g n ASN 11 Ca -0.18 -0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 53.50 3i2g n ASN 11 Cb 0.54 -4.60 -0.02 0.00 -0.61 0.00 0.00 39.78 35.08 3i2g n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2g s VAL 12 N -3.26 4.04 -0.21 2.41 1.01 -0.52 -4.78 120.40 119.09 3i2g s VAL 12 Ca 0.49 1.24 -0.21 0.00 0.00 0.00 0.00 61.98 63.50 3i2g s VAL 12 Cb -0.22 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3i2g s VAL 12 CO 0.60 -0.16 0.63 -0.04 0.00 0.00 0.00 175.10 176.13 3i2g s MET 13 N 3.81 4.19 -0.22 2.72 1.00 -1.26 -1.02 119.30 128.52 3i2g s MET 13 Ca 0.61 0.59 -0.03 0.00 0.00 0.00 0.00 55.69 56.86 3i2g s MET 13 Cb -0.24 -3.60 -0.01 0.00 0.00 0.00 0.00 34.83 30.99 3i2g s MET 13 CO 0.20 -0.28 -0.05 0.08 0.00 0.00 0.00 175.02 174.97 3i2g s VAL 14 N 2.05 3.28 0.09 -6.03 1.01 0.28 -4.92 120.40 116.15 3i2g s VAL 14 Ca 0.28 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 3i2g s VAL 14 Cb -0.16 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3i2g s VAL 14 CO 0.10 0.42 0.81 -2.16 0.00 0.00 0.00 175.10 174.27 3i2g s PRO 15 N 1.46 4.56 0.60 2.72 0.04 -1.26 -0.80 135.00 142.32 3i2g s PRO 15 Ca 0.06 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 3i2g s PRO 15 Cb -0.14 -3.34 0.05 0.00 0.04 0.00 0.00 34.50 31.10 3i2g s PRO 15 CO -0.04 0.34 0.85 -1.64 0.04 0.00 0.00 177.00 176.55 3i2g s MET 16 N -0.32 2.39 0.50 4.56 -1.94 -0.01 -4.90 119.30 119.58 3i2g s MET 16 Ca 0.39 -0.68 0.28 0.00 -1.71 0.00 0.00 55.69 53.97 3i2g s MET 16 Cb -0.22 -2.40 1.37 0.00 2.01 0.00 0.00 34.83 35.60 3i2g s MET 16 CO 0.25 -0.90 1.88 0.07 -0.01 0.00 0.00 175.02 176.31 3i2g h ARG 17 N -0.14 0.11 -0.46 2.03 0.11 -1.92 -1.15 114.38 112.96 3i2g h ARG 17 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3i2g h ARG 17 Cb 1.30 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3i2g h ARG 17 CO 0.53 0.07 0.00 -0.40 0.10 0.00 0.00 179.97 180.27 3i2g n ASP 18 N -4.35 2.49 0.00 0.08 5.75 -1.26 -4.92 116.55 114.35 3i2g n ASP 18 Ca 0.19 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3i2g n ASP 18 Cb 0.88 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3i2g n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2g n GLY 19 N 1.25 2.69 3.76 6.12 0.00 -0.44 -5.03 105.19 113.55 3i2g n GLY 19 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3i2g n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2g s VAL 20 N -2.42 3.10 -0.16 1.61 1.01 -1.26 -4.71 120.40 117.57 3i2g s VAL 20 Ca 0.00 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 3i2g s VAL 20 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3i2g s VAL 20 CO 0.00 0.26 -0.07 -0.13 0.00 0.00 0.00 175.10 175.16 3i2g s ARG 21 N -1.60 3.51 -0.12 2.72 0.52 -1.26 -0.83 118.95 121.90 3i2g s ARG 21 Ca 0.47 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3i2g s ARG 21 Cb -0.36 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3i2g s ARG 21 CO 0.47 0.14 0.04 -0.51 0.02 0.00 0.00 175.30 175.46 3i2g s LEU 22 N 0.59 3.76 0.14 2.53 1.02 0.02 -0.81 118.68 125.93 3i2g s LEU 22 Ca -0.05 0.18 -0.25 0.00 0.02 0.00 0.00 54.13 54.03 3i2g s LEU 22 Cb -0.15 -1.89 -0.08 0.00 0.02 0.00 0.00 46.19 44.09 3i2g s LEU 22 CO 0.03 0.33 0.76 0.00 0.02 0.00 0.00 176.35 177.49 3i2g s ALA 23 N -0.59 3.45 0.16 4.21 0.00 -1.26 -0.56 121.76 127.18 3i2g s ALA 23 Ca 0.10 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.46 3i2g s ALA 23 Cb -0.12 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3i2g s ALA 23 CO 0.02 0.27 -0.13 0.14 0.00 0.00 0.00 175.76 176.06 3i2g s VAL 24 N -1.01 1.45 -0.09 0.00 -7.23 -0.19 -1.59 120.40 111.74 3i2g s VAL 24 Ca 0.36 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3i2g s VAL 24 Cb -0.23 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3i2g s VAL 24 CO 0.25 -0.59 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.56 3i2g s ASP 25 N -3.02 4.53 -0.27 4.85 1.01 0.50 -1.44 116.67 122.83 3i2g s ASP 25 Ca 0.17 -0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.26 3i2g s ASP 25 Cb -0.01 -1.33 -0.00 0.00 1.01 0.00 0.00 42.92 42.59 3i2g s ASP 25 CO 0.04 0.29 0.06 -0.76 0.21 0.00 0.00 175.17 175.01 3i2g s LEU 26 N -0.39 3.57 -0.45 1.23 1.43 -0.15 -1.75 118.68 122.16 3i2g s LEU 26 Ca 0.05 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3i2g s LEU 26 Cb -0.12 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.31 3i2g s LEU 26 CO 0.02 -0.12 0.34 -0.31 0.23 0.00 0.00 176.35 176.51 3i2g s TYR 27 N 1.53 3.30 -0.12 0.29 1.51 0.63 -1.61 117.35 122.87 3i2g s TYR 27 Ca 0.04 -1.26 0.02 0.00 -1.01 0.00 0.00 57.07 54.86 3i2g s TYR 27 Cb -0.16 -3.13 -0.01 0.00 -0.11 0.00 0.00 41.96 38.55 3i2g s TYR 27 CO 0.02 -0.84 -0.18 1.03 -1.11 0.00 0.00 175.55 174.46 3i2g s ARG 28 N 1.53 3.20 0.57 -0.62 0.52 -0.41 -0.60 118.95 123.14 3i2g s ARG 28 Ca 0.04 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 3i2g s ARG 28 Cb -0.24 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 3i2g s ARG 28 CO 0.04 0.15 1.12 -1.25 0.02 0.00 0.00 175.30 175.38 3i2g s PRO 29 N 0.45 3.24 -0.43 3.54 0.04 -1.26 -1.44 135.00 139.13 3i2g s PRO 29 Ca -0.13 1.52 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 3i2g s PRO 29 Cb -0.17 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3i2g s PRO 29 CO 0.06 -0.93 2.16 -0.51 0.04 0.00 0.00 177.00 177.82 3i2g s ASP 30 N -2.04 5.04 0.01 6.66 1.11 -0.33 -4.86 116.67 122.27 3i2g s ASP 30 Ca 0.71 1.13 0.00 0.00 0.18 0.00 0.00 52.55 54.57 3i2g s ASP 30 Cb -0.22 -2.51 -0.01 0.00 1.07 0.00 0.00 42.92 41.24 3i2g s ASP 30 CO 0.31 -2.41 -0.03 0.00 1.18 0.00 0.00 175.17 174.22 3i2g s ALA 31 N 9.94 0.16 0.13 5.23 0.00 -1.26 -4.16 121.76 131.80 3i2g s ALA 31 Ca 0.89 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 3i2g s ALA 31 Cb -0.20 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3i2g s ALA 31 CO 0.28 -0.06 1.56 -0.44 0.00 0.00 0.00 175.76 177.10 3i2g h ASP 32 N 5.30 0.75 -0.89 0.00 3.32 -2.03 -3.46 116.42 119.41 3i2g h ASP 32 Ca -0.29 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3i2g h ASP 32 Cb 1.21 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3i2g h ASP 32 CO 0.45 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 3i2g n GLY 33 N -0.29 7.13 3.82 2.75 0.00 -1.26 -5.14 105.19 112.20 3i2g n GLY 33 Ca -0.01 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 3i2g n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2g s PRO 34 N 0.85 3.08 0.20 1.61 0.04 -1.26 -4.96 135.00 134.56 3i2g s PRO 34 Ca 0.00 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.05 3i2g s PRO 34 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3i2g s PRO 34 CO 0.00 -0.98 -0.04 0.14 0.04 0.00 0.00 177.00 176.15 3i2g s VAL 35 N -2.96 1.10 0.52 -0.36 -7.23 0.44 -4.59 120.40 107.33 3i2g s VAL 35 Ca 0.59 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 3i2g s VAL 35 Cb -0.14 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 3i2g s VAL 35 CO 0.52 -0.49 1.19 -2.16 -0.31 0.00 0.00 175.10 173.85 3i2g s PRO 36 N -3.82 3.38 0.01 4.82 0.04 -1.26 -0.95 135.00 137.22 3i2g s PRO 36 Ca 0.24 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.15 3i2g s PRO 36 Cb 0.04 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3i2g s PRO 36 CO 0.06 -0.87 -0.19 0.08 0.04 0.00 0.00 177.00 176.12 3i2g s VAL 37 N -1.58 1.48 -0.11 -0.36 1.01 -0.18 -1.32 120.40 119.35 3i2g s VAL 37 Ca 0.70 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3i2g s VAL 37 Cb -0.30 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3i2g s VAL 37 CO 0.34 0.30 -0.22 -0.76 0.00 0.00 0.00 175.10 174.76 3i2g s LEU 38 N -0.76 2.20 -0.10 3.92 1.43 0.14 -0.06 118.68 125.45 3i2g s LEU 38 Ca 0.07 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3i2g s LEU 38 Cb -0.08 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3i2g s LEU 38 CO 0.00 0.16 -0.07 -0.22 0.23 0.00 0.00 176.35 176.45 3i2g s LEU 39 N 0.35 3.13 -0.10 1.79 2.96 0.44 0.10 118.68 127.35 3i2g s LEU 39 Ca -0.17 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3i2g s LEU 39 Cb -0.18 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3i2g s LEU 39 CO 0.08 0.28 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.61 3i2g s VAL 40 N -0.34 1.11 -0.30 1.68 1.01 0.28 -3.49 120.40 120.34 3i2g s VAL 40 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3i2g s VAL 40 Cb -0.12 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3i2g s VAL 40 CO 0.02 0.37 0.09 -0.13 0.00 0.00 0.00 175.10 175.46 3i2g s ARG 41 N 1.39 3.07 -0.09 2.72 0.52 -1.26 -1.02 118.95 124.27 3i2g s ARG 41 Ca -0.01 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3i2g s ARG 41 Cb -0.13 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 31.94 3i2g s ARG 41 CO -0.05 -0.47 -0.12 1.21 0.02 0.00 0.00 175.30 175.89 3i2g s ASN 42 N 1.51 2.12 0.00 0.23 3.04 -0.14 -4.17 114.94 117.53 3i2g s ASN 42 Ca 0.02 -0.35 0.17 0.00 0.04 0.00 0.00 52.86 52.75 3i2g s ASN 42 Cb -0.17 -0.93 0.49 0.00 -1.54 0.00 0.00 41.25 39.10 3i2g s ASN 42 CO 0.03 -0.01 1.40 -0.81 -3.04 0.00 0.00 177.10 174.67 3i2g n PRO 43 N 4.25 2.15 -0.69 0.43 -0.04 -1.26 -2.17 135.00 137.66 3i2g n PRO 43 Ca -0.19 -1.77 0.02 0.00 -0.04 0.00 0.00 63.50 61.52 3i2g n PRO 43 Cb 0.51 -1.41 0.21 0.00 -0.04 0.00 0.00 33.50 32.77 3i2g n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2g n TYR 44 N 0.94 0.46 -1.12 0.54 4.01 -1.26 -4.95 117.16 115.78 3i2g n TYR 44 Ca 0.17 -1.55 0.00 0.00 -0.16 0.00 0.00 57.90 56.36 3i2g n TYR 44 Cb 0.43 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3i2g n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2g n ASP 45 N -1.12 -1.92 0.04 7.72 -0.08 -1.26 -4.61 116.55 115.31 3i2g n ASP 45 Ca 0.25 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.74 3i2g n ASP 45 Cb 0.84 -0.96 0.73 0.00 2.34 0.00 0.00 41.12 44.07 3i2g n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2g h LYS 46 N 0.00 0.00 -0.34 -0.67 2.10 -1.83 0.78 116.57 116.61 3i2g h LYS 46 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 3i2g h LYS 46 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 3i2g h LYS 46 CO 0.00 0.00 -0.14 0.74 -2.00 0.00 0.00 179.45 178.05 3i2g h PHE 47 N 0.00 0.66 -0.89 0.07 0.04 -1.94 -3.37 116.94 111.51 3i2g h PHE 47 Ca 0.23 -0.12 -0.72 0.00 2.80 0.00 0.00 57.97 60.16 3i2g h PHE 47 Cb 1.04 -0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.91 3i2g h PHE 47 CO 0.00 0.72 2.37 -3.47 -0.60 0.00 0.00 178.31 177.33 3i2g n ASP 48 N -4.17 4.64 0.13 2.17 -0.08 0.27 -4.73 116.55 114.78 3i2g n ASP 48 Ca 0.01 -2.96 -0.00 0.00 -1.51 0.00 0.00 54.79 50.33 3i2g n ASP 48 Cb 0.35 -1.61 0.12 0.00 2.34 0.00 0.00 41.12 42.32 3i2g n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3i2g h VAL 49 N 4.32 1.26 0.00 5.18 -1.51 -1.79 -3.20 116.25 120.50 3i2g h VAL 49 Ca 0.46 -2.30 -0.09 0.00 -1.23 0.00 0.00 66.70 63.54 3i2g h VAL 49 Cb 0.71 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 3i2g h VAL 49 CO 1.64 0.61 -0.42 -0.26 -1.23 0.00 0.00 177.57 177.91 3i2g h PHE 50 N 0.00 0.00 -0.41 5.19 0.04 -1.96 -2.74 116.94 117.06 3i2g h PHE 50 Ca -0.01 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3i2g h PHE 50 Cb 1.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.38 3i2g h PHE 50 CO 0.00 0.42 0.25 0.00 -0.60 0.00 0.00 178.31 178.38 3i2g h ALA 51 N 1.58 0.52 0.00 2.45 0.00 -1.96 -3.32 119.26 118.53 3i2g h ALA 51 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 3i2g h ALA 51 Cb 0.77 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3i2g h ALA 51 CO 0.05 -0.06 -2.34 -2.67 0.00 0.00 0.00 179.25 174.23 3i2g n TRP 52 N -4.84 0.04 0.17 0.00 4.27 -1.24 -4.64 117.44 111.21 3i2g n TRP 52 Ca 0.01 0.01 0.03 0.00 -3.89 0.00 0.00 57.50 53.67 3i2g n TRP 52 Cb 0.05 -0.97 0.41 0.00 -1.36 0.00 0.00 31.31 29.43 3i2g n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2g h SER 53 N 0.00 0.08 0.27 -0.67 0.02 -1.58 -0.11 113.55 111.56 3i2g h SER 53 Ca -0.50 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3i2g h SER 53 Cb 2.16 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.68 3i2g h SER 53 CO 0.03 0.33 0.00 0.71 -1.14 0.00 0.00 176.83 176.76 3i2g h THR 54 N 0.08 0.00 -0.72 -2.27 1.35 -1.83 -0.23 112.91 109.29 3i2g h THR 54 Ca 0.01 -0.12 -0.33 0.00 -0.55 0.00 0.00 66.41 65.43 3i2g h THR 54 Cb 0.47 0.91 -0.19 0.00 -1.73 0.00 0.00 68.15 67.61 3i2g h THR 54 CO 0.03 0.00 0.33 0.00 -0.25 0.00 0.00 175.52 175.63 3i2g n GLN 55 N -2.70 2.52 0.00 4.72 3.00 -0.06 -4.85 117.38 120.01 3i2g n GLN 55 Ca -0.01 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 3i2g n GLN 55 Cb 0.12 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.29 3i2g n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2g n SER 56 N -0.88 0.00 -3.61 1.08 2.88 -0.12 -4.77 113.62 108.20 3i2g n SER 56 Ca 0.46 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.86 3i2g n SER 56 Cb 1.39 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.79 3i2g n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2g s THR 57 N 0.06 0.04 -1.42 2.46 -4.23 -1.06 -4.74 115.64 106.74 3i2g s THR 57 Ca 0.00 -0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 3i2g s THR 57 Cb 0.00 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.94 3i2g s THR 57 CO 0.00 -0.17 2.16 0.59 -0.54 0.00 0.00 174.62 176.67 3i2g n ASN 58 N 0.56 3.97 0.00 3.99 3.02 -1.26 -4.76 115.26 120.78 3i2g n ASN 58 Ca -0.19 -2.85 0.10 0.00 -0.03 0.00 0.00 54.58 51.62 3i2g n ASN 58 Cb 0.59 -1.66 0.48 0.00 -0.61 0.00 0.00 39.78 38.58 3i2g n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3i2g n TRP 59 N 6.44 0.00 0.30 3.10 4.27 -1.26 -1.96 117.44 128.32 3i2g n TRP 59 Ca 0.52 0.00 0.17 0.00 -3.89 0.00 0.00 57.50 54.29 3i2g n TRP 59 Cb 0.40 -0.42 0.91 0.00 -1.36 0.00 0.00 31.31 30.84 3i2g n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3i2g h LEU 60 N 0.00 0.00 -1.26 5.67 3.38 -2.00 0.05 115.31 121.15 3i2g h LEU 60 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3i2g h LEU 60 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3i2g h LEU 60 CO 0.00 0.04 0.06 -0.08 0.09 0.00 0.00 178.44 178.55 3i2g h GLU 61 N 0.00 0.56 -0.50 1.13 4.81 -1.82 0.97 114.58 119.74 3i2g h GLU 61 Ca -0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3i2g h GLU 61 Cb 0.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3i2g h GLU 61 CO 0.01 0.54 0.13 0.74 -0.73 0.00 0.00 179.01 179.70 3i2g h PHE 62 N 0.55 0.83 -0.36 0.92 0.04 -1.18 -1.52 116.94 116.21 3i2g h PHE 62 Ca 0.12 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 3i2g h PHE 62 Cb 0.26 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3i2g h PHE 62 CO 0.01 0.73 -0.04 0.28 -0.60 0.00 0.00 178.31 178.70 3i2g h VAL 63 N 0.68 1.27 0.00 -0.55 2.07 -1.35 0.29 116.25 118.66 3i2g h VAL 63 Ca 0.16 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3i2g h VAL 63 Cb 0.32 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3i2g h VAL 63 CO -0.00 0.35 -0.07 0.03 0.02 0.00 0.00 177.57 177.90 3i2g h ARG 64 N 0.47 0.00 -0.22 1.57 3.08 -0.73 -1.82 114.38 116.73 3i2g h ARG 64 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3i2g h ARG 64 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3i2g h ARG 64 CO 0.03 0.07 0.00 -3.47 -1.07 0.00 0.00 179.97 175.53 3i2g n ASP 65 N -3.94 2.20 0.00 7.04 2.03 -0.58 -3.06 116.55 120.24 3i2g n ASP 65 Ca -0.03 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.49 3i2g n ASP 65 Cb 0.16 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3i2g n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i2g n GLY 66 N 1.24 1.01 3.85 0.27 0.00 -0.68 -5.05 105.19 105.84 3i2g n GLY 66 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3i2g n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2g s TYR 67 N -2.00 3.62 0.24 1.61 1.51 0.04 -4.44 117.35 117.93 3i2g s TYR 67 Ca 0.00 0.95 -0.21 0.00 -1.01 0.00 0.00 57.07 56.80 3i2g s TYR 67 Cb 0.00 -2.28 -0.09 0.00 -0.11 0.00 0.00 41.96 39.48 3i2g s TYR 67 CO 0.00 0.49 0.77 0.00 -1.11 0.00 0.00 175.55 175.70 3i2g s ALA 68 N -1.39 3.37 -0.09 3.71 0.00 -0.43 -3.86 121.76 123.07 3i2g s ALA 68 Ca 0.34 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3i2g s ALA 68 Cb -0.15 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3i2g s ALA 68 CO 0.18 0.30 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 3i2g s VAL 69 N -1.54 1.67 -0.19 0.00 1.01 0.23 0.23 120.40 121.82 3i2g s VAL 69 Ca 0.44 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3i2g s VAL 69 Cb -0.17 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3i2g s VAL 69 CO 0.22 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.97 3i2g s VAL 70 N 0.56 2.72 -0.15 2.92 1.01 0.11 -0.27 120.40 127.30 3i2g s VAL 70 Ca -0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3i2g s VAL 70 Cb -0.17 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3i2g s VAL 70 CO 0.05 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.92 3i2g s ILE 71 N 1.25 3.31 -0.05 2.22 1.01 -0.72 -0.56 121.20 127.65 3i2g s ILE 71 Ca 0.03 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3i2g s ILE 71 Cb -0.14 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3i2g s ILE 71 CO -0.06 0.50 -0.22 -1.58 0.00 0.00 0.00 174.94 173.58 3i2g s GLN 72 N 0.53 2.53 -0.01 2.79 0.74 -0.19 -0.37 119.66 125.68 3i2g s GLN 72 Ca -0.07 -0.84 -0.30 0.00 0.05 0.00 0.00 55.36 54.20 3i2g s GLN 72 Cb -0.15 -2.23 -0.05 0.00 1.10 0.00 0.00 33.01 31.68 3i2g s GLN 72 CO 0.03 0.46 1.25 -0.51 -0.55 0.00 0.00 175.29 175.97 3i2g s ASP 73 N -0.34 7.01 0.86 6.67 1.01 -0.62 -0.96 116.67 130.30 3i2g s ASP 73 Ca 0.02 1.95 -0.11 0.00 0.71 0.00 0.00 52.55 55.13 3i2g s ASP 73 Cb -0.12 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.35 3i2g s ASP 73 CO 0.02 -0.58 1.11 0.42 0.21 0.00 0.00 175.17 176.35 3i2g s THR 74 N 1.89 2.70 0.01 -1.27 -4.23 -0.92 -4.33 115.64 109.50 3i2g s THR 74 Ca 0.59 0.23 -0.37 0.00 -1.18 0.00 0.00 61.69 60.95 3i2g s THR 74 Cb -0.28 -2.52 -0.16 0.00 1.34 0.00 0.00 72.50 70.88 3i2g s THR 74 CO 0.25 -0.30 1.46 -1.14 -0.54 0.00 0.00 174.62 174.35 3i2g n ARG 75 N -3.91 1.25 -0.86 3.99 0.63 -1.26 -2.50 116.66 114.00 3i2g n ARG 75 Ca 0.09 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3i2g n ARG 75 Cb 0.53 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.32 3i2g n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2g n GLY 76 N 2.99 0.77 3.34 5.14 0.00 -0.03 -3.64 105.19 113.76 3i2g n GLY 76 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3i2g n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2g s LEU 77 N 0.00 2.21 0.00 0.99 1.43 -1.04 -4.31 118.68 117.96 3i2g s LEU 77 Ca 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3i2g s LEU 77 Cb 0.00 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.02 3i2g s LEU 77 CO 0.00 0.21 0.00 0.49 0.23 0.00 0.00 176.35 177.28 3i2g n PHE 78 N 1.52 0.00 1.40 0.29 3.72 -1.26 -1.48 117.46 121.66 3i2g n PHE 78 Ca -0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.36 3i2g n PHE 78 Cb 0.52 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.57 3i2g n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2g n ALA 79 N 9.95 2.83 -2.14 4.37 0.00 -1.26 -4.88 120.51 129.38 3i2g n ALA 79 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 3i2g n ALA 79 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3i2g n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2g s SER 80 N -2.32 6.62 0.82 0.00 0.01 -0.55 -4.37 113.70 113.91 3i2g s SER 80 Ca 0.31 1.22 -0.08 0.00 1.31 0.00 0.00 55.95 58.71 3i2g s SER 80 Cb 0.20 -2.36 0.15 0.00 0.21 0.00 0.00 66.02 64.22 3i2g s SER 80 CO 0.45 -0.35 1.14 -1.61 0.41 0.00 0.00 173.24 173.27 3i2g s GLU 81 N -3.58 1.33 0.42 12.44 2.02 0.01 -4.12 118.70 127.23 3i2g s GLU 81 Ca 0.53 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3i2g s GLU 81 Cb -0.10 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.03 3i2g s GLU 81 CO 0.27 -1.82 0.00 0.41 0.02 0.00 0.00 175.26 174.14 3i2g n GLY 82 N -3.24 -2.14 3.48 -1.39 0.00 -1.26 -0.85 105.19 99.79 3i2g n GLY 82 Ca 0.14 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3i2g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2g s GLU 83 N -0.17 3.10 -0.20 1.61 0.41 -1.26 -3.96 118.70 118.23 3i2g s GLU 83 Ca 0.00 -0.61 -0.25 0.00 -0.41 0.00 0.00 54.97 53.70 3i2g s GLU 83 Cb 0.00 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.70 3i2g s GLU 83 CO 0.00 0.43 0.84 0.12 -0.49 0.00 0.00 175.26 176.16 3i2g s PHE 84 N -0.19 3.38 -0.06 1.61 5.36 -1.24 -4.41 117.98 122.43 3i2g s PHE 84 Ca 0.02 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 3i2g s PHE 84 Cb -0.13 -3.04 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 3i2g s PHE 84 CO 0.03 -0.31 -0.05 0.08 -1.46 0.00 0.00 175.22 173.51 3i2g s VAL 85 N 2.44 0.66 0.20 3.12 1.01 -1.26 -5.05 120.40 121.51 3i2g s VAL 85 Ca 0.38 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.90 3i2g s VAL 85 Cb -0.16 -0.70 -0.15 0.00 0.00 0.00 0.00 36.38 35.38 3i2g s VAL 85 CO 0.10 0.27 1.30 -2.65 0.00 0.00 0.00 175.10 174.13 3i2g n PRO 86 N 4.43 1.62 0.00 2.72 -0.02 -1.26 -3.65 135.00 138.84 3i2g n PRO 86 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i2g n PRO 86 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3i2g n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2g n HIS 87 N 1.77 0.00 0.23 6.00 8.25 -1.26 -4.76 115.22 125.46 3i2g n HIS 87 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.67 3i2g n HIS 87 Cb 0.28 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.95 3i2g n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2g h VAL 88 N 0.00 0.97 -0.02 1.59 -1.51 -1.99 -2.70 116.25 112.59 3i2g h VAL 88 Ca 0.00 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3i2g h VAL 88 Cb 0.00 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3i2g h VAL 88 CO 0.00 0.18 -0.27 0.47 -1.23 0.00 0.00 177.57 176.72 3i2g n ASP 89 N -4.08 2.11 0.11 4.19 8.00 -1.26 -4.67 116.55 120.94 3i2g n ASP 89 Ca -0.02 -1.55 -0.03 0.00 0.71 0.00 0.00 54.79 53.89 3i2g n ASP 89 Cb 0.26 0.32 0.07 0.00 -0.02 0.00 0.00 41.12 41.75 3i2g n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2g h ASP 90 N 2.72 0.02 0.32 -2.24 3.32 -1.84 -1.37 116.42 117.35 3i2g h ASP 90 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i2g h ASP 90 Cb 0.71 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3i2g h ASP 90 CO 0.00 0.76 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.77 3i2g h GLU 91 N 0.01 -0.45 -0.27 3.56 5.08 -1.78 -1.48 114.58 119.24 3i2g h GLU 91 Ca -0.01 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3i2g h GLU 91 Cb 1.32 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3i2g h GLU 91 CO 0.10 -0.30 -0.06 0.00 -1.00 0.00 0.00 179.01 177.75 3i2g h ALA 92 N 0.20 0.37 -0.69 3.43 0.00 -1.87 -1.48 119.26 119.22 3i2g h ALA 92 Ca -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3i2g h ALA 92 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3i2g h ALA 92 CO 0.05 0.18 0.24 -0.44 0.00 0.00 0.00 179.25 179.27 3i2g h ASP 93 N 0.28 0.97 -0.22 0.00 3.32 -1.31 0.11 116.42 119.57 3i2g h ASP 93 Ca 0.07 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3i2g h ASP 93 Cb 0.53 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3i2g h ASP 93 CO 0.03 0.89 0.03 0.00 -1.72 0.00 0.00 179.24 178.47 3i2g h ALA 94 N 1.24 0.30 -0.12 3.45 0.00 -1.19 -0.70 119.26 122.23 3i2g h ALA 94 Ca 0.23 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3i2g h ALA 94 Cb 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3i2g h ALA 94 CO -0.01 -0.02 -0.17 1.49 0.00 0.00 0.00 179.25 180.54 3i2g h GLU 95 N 0.17 -0.21 -0.61 0.00 4.81 -0.98 0.21 114.58 117.96 3i2g h GLU 95 Ca 0.07 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3i2g h GLU 95 Cb 0.34 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3i2g h GLU 95 CO 0.01 -0.14 0.35 -0.44 -0.73 0.00 0.00 179.01 178.05 3i2g h ASP 96 N -0.22 0.73 -0.14 1.04 3.32 -0.72 -2.00 116.42 118.44 3i2g h ASP 96 Ca 0.09 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 3i2g h ASP 96 Cb 0.36 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3i2g h ASP 96 CO -0.25 0.58 -0.63 0.74 -1.72 0.00 0.00 179.24 177.96 3i2g h THR 97 N 0.84 1.32 -0.69 0.35 2.02 -0.60 -2.08 112.91 114.07 3i2g h THR 97 Ca 0.22 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 3i2g h THR 97 Cb -0.00 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3i2g h THR 97 CO -0.04 0.58 0.40 -0.07 0.37 0.00 0.00 175.52 176.77 3i2g h LEU 98 N 0.34 0.85 -0.19 2.58 3.38 -0.80 -1.17 115.31 120.30 3i2g h LEU 98 Ca -0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3i2g h LEU 98 Cb 1.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3i2g h LEU 98 CO 0.13 0.67 0.04 0.28 0.09 0.00 0.00 178.44 179.65 3i2g h SER 99 N 0.95 0.01 -0.22 -0.43 0.02 -1.33 0.16 113.55 112.71 3i2g h SER 99 Ca 0.25 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 3i2g h SER 99 Cb -0.00 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3i2g h SER 99 CO -0.04 0.03 -0.02 -0.25 -1.14 0.00 0.00 176.83 175.41 3i2g h TRP 100 N 0.11 -0.05 -0.25 3.45 7.01 -1.18 -1.91 115.95 123.14 3i2g h TRP 100 Ca 0.08 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 3i2g h TRP 100 Cb 0.08 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 3i2g h TRP 100 CO -0.14 -0.06 0.06 0.82 -2.79 0.00 0.00 178.44 176.34 3i2g h ILE 101 N 0.04 0.91 -0.12 2.65 2.04 -0.92 -1.84 117.51 120.27 3i2g h ILE 101 Ca 0.10 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3i2g h ILE 101 Cb 0.14 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3i2g h ILE 101 CO -0.19 0.03 0.13 -0.07 0.00 0.00 0.00 178.15 178.05 3i2g h LEU 102 N 0.17 0.00 -0.34 1.44 3.38 -0.61 -0.74 115.31 118.60 3i2g h LEU 102 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i2g h LEU 102 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i2g h LEU 102 CO -0.13 0.00 -0.17 -0.62 0.09 0.00 0.00 178.44 177.61 3i2g n GLU 103 N -3.89 0.75 -2.69 1.13 1.02 -0.71 -4.75 120.64 111.50 3i2g n GLU 103 Ca 0.00 -0.34 -0.32 0.00 -0.02 0.00 0.00 57.16 56.48 3i2g n GLU 103 Cb 0.24 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3i2g n GLU 103 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3i2g s GLN 104 N -2.48 4.00 0.47 3.49 -1.52 -0.28 -4.95 119.66 118.38 3i2g s GLN 104 Ca 0.27 0.88 0.17 0.00 -1.95 0.00 0.00 55.36 54.73 3i2g s GLN 104 Cb 0.20 -2.23 1.12 0.00 -0.22 0.00 0.00 33.01 31.88 3i2g s GLN 104 CO 0.49 -0.11 2.02 0.00 -0.25 0.00 0.00 175.29 177.45 3i2g h ALA 105 N 1.42 1.64 -0.01 6.09 0.00 -1.91 -2.71 119.26 123.78 3i2g h ALA 105 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3i2g h ALA 105 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i2g h ALA 105 CO 0.62 0.19 -0.14 -2.67 0.00 0.00 0.00 179.25 177.25 3i2g n TRP 106 N -4.20 0.00 -3.46 0.00 4.27 -1.26 -4.37 117.44 108.42 3i2g n TRP 106 Ca -0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.21 3i2g n TRP 106 Cb 0.23 -0.04 -0.08 0.00 -1.36 0.00 0.00 31.31 30.06 3i2g n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2g n ASP 108 N 4.16 2.18 0.00 0.00 5.75 -0.13 -4.71 116.55 123.81 3i2g n ASP 108 Ca -0.10 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3i2g n ASP 108 Cb 0.51 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3i2g n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2g n GLY 109 N 0.91 0.85 3.24 6.12 0.00 -1.26 -4.96 105.19 110.09 3i2g n GLY 109 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3i2g n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2g s ASN 110 N -2.98 3.90 -0.01 1.61 0.01 -1.26 -4.60 114.94 111.61 3i2g s ASN 110 Ca 0.00 -0.48 0.08 0.00 -0.71 0.00 0.00 52.86 51.74 3i2g s ASN 110 Cb 0.00 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.99 3i2g s ASN 110 CO 0.00 -0.01 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.64 3i2g s VAL 111 N 1.41 1.95 0.35 1.60 1.01 -0.19 -1.01 120.40 125.53 3i2g s VAL 111 Ca 0.05 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3i2g s VAL 111 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3i2g s VAL 111 CO -0.07 0.51 0.13 -0.83 0.00 0.00 0.00 175.10 174.84 3i2g s GLY 112 N -0.70 2.29 0.02 4.51 0.00 0.92 -0.02 107.32 114.33 3i2g s GLY 112 Ca 0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.16 3i2g s GLY 112 CO -0.00 -1.73 0.09 1.06 0.00 0.00 0.00 173.10 172.51 3i2g s MET 113 N -3.79 0.47 0.16 2.90 -1.94 -0.98 -0.42 119.30 115.71 3i2g s MET 113 Ca 0.31 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.64 3i2g s MET 113 Cb 0.05 0.19 0.00 0.00 2.01 0.00 0.00 34.83 37.08 3i2g s MET 113 CO 0.16 -0.11 0.32 -0.59 -0.01 0.00 0.00 175.02 174.79 3i2g s PHE 114 N -1.74 0.26 0.00 -0.03 -0.71 -1.23 -1.18 117.98 113.36 3i2g s PHE 114 Ca -0.12 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.14 3i2g s PHE 114 Cb -0.06 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 3i2g s PHE 114 CO -0.01 -0.74 0.00 0.41 -1.34 0.00 0.00 175.22 173.54 3i2g n GLY 115 N -0.22 3.25 3.48 1.99 0.00 -1.11 -4.62 105.19 107.96 3i2g n GLY 115 Ca -0.09 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3i2g n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2g s VAL 116 N -2.00 2.97 0.00 1.61 0.11 -1.26 -1.37 120.40 120.46 3i2g s VAL 116 Ca 0.00 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 3i2g s VAL 116 Cb 0.00 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 3i2g s VAL 116 CO 0.00 0.45 0.00 -0.24 -3.33 0.00 0.00 175.10 171.98 3i2g n SER 117 N 1.87 0.00 0.13 3.54 2.88 0.97 -1.33 113.62 121.69 3i2g n SER 117 Ca -0.16 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.40 3i2g n SER 117 Cb 0.52 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.38 3i2g n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2g h TYR 118 N 0.00 0.22 0.00 0.66 5.03 -1.89 0.17 116.97 121.16 3i2g h TYR 118 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 3i2g h TYR 118 Cb 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.22 3i2g h TYR 118 CO 0.00 0.36 0.00 1.28 -1.32 0.00 0.00 178.16 178.48 3i2g n LEU 119 N -4.27 0.00 -0.12 2.82 4.32 -0.44 -2.27 117.00 117.04 3i2g n LEU 119 Ca -0.01 0.30 -0.20 0.00 -0.02 0.00 0.00 56.01 56.08 3i2g n LEU 119 Cb 0.28 -0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 41.67 3i2g n LEU 119 CO 0.38 -0.10 -1.30 0.61 -1.22 0.00 0.00 177.39 175.76 3i2g n GLY 120 N 0.46 -0.35 0.30 -0.72 0.00 0.32 -4.23 105.19 100.96 3i2g n GLY 120 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.99 3i2g n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2g h VAL 121 N -0.35 0.95 0.00 1.61 2.07 -0.78 -2.25 116.25 117.50 3i2g h VAL 121 Ca -0.57 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3i2g h VAL 121 Cb 1.71 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3i2g h VAL 121 CO -0.20 0.15 -0.04 0.71 0.02 0.00 0.00 177.57 178.21 3i2g h THR 122 N 0.81 0.33 -0.10 2.57 1.35 -1.67 -2.22 112.91 113.96 3i2g h THR 122 Ca 0.37 -0.24 -0.24 0.00 -0.55 0.00 0.00 66.41 65.76 3i2g h THR 122 Cb 0.29 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3i2g h THR 122 CO -0.22 0.04 -0.86 1.56 -0.25 0.00 0.00 175.52 175.79 3i2g h GLN 123 N 0.00 0.75 -0.76 4.72 4.20 -1.59 -0.08 115.11 122.35 3i2g h GLN 123 Ca -0.00 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 58.00 3i2g h GLN 123 Cb 0.17 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3i2g h GLN 123 CO 0.01 1.27 0.31 -1.49 -0.67 0.00 0.00 178.83 178.25 3i2g h TRP 124 N 0.49 1.15 0.00 2.96 4.06 -1.42 0.11 115.95 123.29 3i2g h TRP 124 Ca -0.08 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.73 3i2g h TRP 124 Cb 1.50 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 29.30 3i2g h TRP 124 CO 0.09 0.87 -0.32 1.96 -3.56 0.00 0.00 178.44 177.48 3i2g h GLN 125 N 1.11 0.00 0.07 0.49 4.20 -1.30 -2.83 115.11 116.84 3i2g h GLN 125 Ca 0.26 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.68 3i2g h GLN 125 Cb 0.20 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.01 3i2g h GLN 125 CO -0.02 0.32 -1.14 0.00 -0.67 0.00 0.00 178.83 177.31 3i2g h ALA 126 N 1.68 0.05 0.00 3.87 0.00 -0.49 -3.34 119.26 121.03 3i2g h ALA 126 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 3i2g h ALA 126 Cb 0.58 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i2g h ALA 126 CO 0.04 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.81 3i2g h ALA 127 N 0.33 1.22 -0.00 0.00 0.00 -0.56 -2.39 119.26 117.85 3i2g h ALA 127 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i2g h ALA 127 Cb 1.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3i2g h ALA 127 CO 0.22 0.20 -0.05 1.33 0.00 0.00 0.00 179.25 180.94 3i2g n VAL 128 N -3.59 0.00 0.33 0.00 0.24 -1.11 -3.37 118.33 110.83 3i2g n VAL 128 Ca -0.01 -0.01 0.15 0.00 -2.04 0.00 0.00 64.34 62.42 3i2g n VAL 128 Cb 0.29 -0.36 0.61 0.00 -1.47 0.00 0.00 33.84 32.91 3i2g n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i2g h SER 129 N 0.13 0.00 -6.23 -1.34 4.64 -1.59 -3.47 113.55 105.69 3i2g h SER 129 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3i2g h SER 129 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3i2g h SER 129 CO 0.00 0.00 -0.77 0.61 -0.87 0.00 0.00 176.83 175.80 3i2g n GLY 130 N -0.04 -0.44 3.62 -0.77 0.00 -1.22 -4.94 105.19 101.39 3i2g n GLY 130 Ca 0.01 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3i2g n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2g s VAL 131 N -3.40 4.20 0.31 1.61 1.01 -1.26 -4.94 120.40 117.93 3i2g s VAL 131 Ca 0.48 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.85 3i2g s VAL 131 Cb -0.24 -4.33 0.32 0.00 0.00 0.00 0.00 36.38 32.14 3i2g s VAL 131 CO 0.82 -0.64 1.65 1.23 0.00 0.00 0.00 175.10 178.15 3i2g h GLY 132 N 10.99 1.64 2.00 4.51 0.00 -2.00 -1.83 103.07 118.38 3i2g h GLY 132 Ca -0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3i2g h GLY 132 CO 1.06 -0.43 -0.02 -1.33 0.00 0.00 0.00 176.54 175.83 3i2g h GLY 133 N 0.24 0.00 -6.83 4.60 0.00 -1.92 -3.41 103.07 95.75 3i2g h GLY 133 Ca 0.63 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.39 3i2g h GLY 133 CO -0.65 0.00 1.13 -2.27 0.00 0.00 0.00 176.54 174.75 3i2g s LEU 134 N -6.29 3.55 -0.09 3.11 2.96 -0.69 -1.03 118.68 120.20 3i2g s LEU 134 Ca -0.02 0.92 0.18 0.00 -0.22 0.00 0.00 54.13 54.99 3i2g s LEU 134 Cb 0.11 -3.51 -0.27 0.00 0.50 0.00 0.00 46.19 43.02 3i2g s LEU 134 CO 0.50 -1.53 0.27 0.29 -1.32 0.00 0.00 176.35 174.56 3i2g n LYS 135 N 8.21 0.78 -3.52 1.98 4.76 0.97 -4.95 118.16 126.39 3i2g n LYS 135 Ca 0.18 -0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 3i2g n LYS 135 Cb 0.48 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 3i2g n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2g s ALA 136 N -2.96 -1.58 0.19 7.82 0.00 -1.24 -4.10 121.76 119.89 3i2g s ALA 136 Ca -0.08 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.84 3i2g s ALA 136 Cb 0.09 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 3i2g s ALA 136 CO 0.79 -0.49 -0.08 0.96 0.00 0.00 0.00 175.76 176.94 3i2g s ILE 137 N -2.09 1.27 -0.41 0.00 -4.36 -0.56 -2.31 121.20 112.74 3i2g s ILE 137 Ca -0.07 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.30 3i2g s ILE 137 Cb -0.01 -2.04 0.22 0.00 1.25 0.00 0.00 42.46 41.89 3i2g s ILE 137 CO 0.02 -0.59 0.52 0.00 0.24 0.00 0.00 174.94 175.12 3i2g n ALA 138 N -0.31 1.88 -2.63 2.27 0.00 -0.32 -1.05 120.51 120.35 3i2g n ALA 138 Ca -0.08 -2.96 -0.42 0.00 0.00 0.00 0.00 53.44 49.98 3i2g n ALA 138 Cb 0.61 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 3i2g n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2g s PRO 139 N -0.50 4.09 -0.16 0.00 0.04 -1.10 -2.74 135.00 134.63 3i2g s PRO 139 Ca 0.34 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 3i2g s PRO 139 Cb 0.13 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3i2g s PRO 139 CO -0.15 -0.66 0.01 0.45 0.04 0.00 0.00 177.00 176.69 3i2g s SER 140 N 1.48 5.21 -1.23 6.66 0.15 -0.47 -2.90 113.70 122.60 3i2g s SER 140 Ca 0.37 -0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.85 3i2g s SER 140 Cb -0.14 -1.86 -0.00 0.00 -1.71 0.00 0.00 66.02 62.31 3i2g s SER 140 CO 0.10 0.18 0.67 0.23 1.20 0.00 0.00 173.24 175.63 3i2g n MET 141 N 3.46 -1.85 -4.28 5.44 2.81 0.90 -0.02 117.12 123.58 3i2g n MET 141 Ca -0.17 0.41 -0.24 0.00 -1.81 0.00 0.00 57.70 55.89 3i2g n MET 141 Cb 0.52 -4.13 -0.07 0.00 -0.71 0.00 0.00 33.22 28.83 3i2g n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2g n ALA 142 N -4.33 0.56 -2.70 3.04 0.00 -1.26 -3.26 120.51 112.56 3i2g n ALA 142 Ca -0.17 -1.97 -0.09 0.00 0.00 0.00 0.00 53.44 51.21 3i2g n ALA 142 Cb 0.62 1.35 -0.09 0.00 0.00 0.00 0.00 19.45 21.33 3i2g n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i2g s SER 143 N -3.38 0.18 -0.05 0.00 0.15 -1.26 -3.10 113.70 106.23 3i2g s SER 143 Ca 0.21 -0.54 0.12 0.00 0.70 0.00 0.00 55.95 56.44 3i2g s SER 143 Cb 0.01 0.24 0.35 0.00 -1.71 0.00 0.00 66.02 64.90 3i2g s SER 143 CO 0.15 -0.53 1.28 0.00 1.20 0.00 0.00 173.24 175.35 3i2g n ALA 144 N 0.69 2.37 -3.45 5.45 0.00 -1.26 -4.55 120.51 119.77 3i2g n ALA 144 Ca -0.19 -1.44 -0.19 0.00 0.00 0.00 0.00 53.44 51.63 3i2g n ALA 144 Cb 0.59 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 3i2g n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2g s ASP 145 N -1.25 1.79 0.31 0.00 -1.08 -1.26 -0.09 116.67 115.09 3i2g s ASP 145 Ca 0.27 -0.63 0.14 0.00 -0.52 0.00 0.00 52.55 51.81 3i2g s ASP 145 Cb 0.17 0.37 0.45 0.00 -1.46 0.00 0.00 42.92 42.45 3i2g s ASP 145 CO 0.13 -0.37 1.64 -0.07 0.52 0.00 0.00 175.17 177.02 3i2g h LEU 146 N 8.30 0.00 -0.09 -1.34 -0.00 -1.87 -1.42 115.31 118.89 3i2g h LEU 146 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.73 3i2g h LEU 146 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 3i2g h LEU 146 CO 0.33 0.53 0.03 0.22 -0.00 0.00 0.00 178.44 179.55 3i2g h TYR 147 N 0.00 0.05 0.00 1.13 5.03 -1.96 -2.47 116.97 118.75 3i2g h TYR 147 Ca -0.01 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.18 3i2g h TYR 147 Cb 1.05 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.31 3i2g h TYR 147 CO 0.00 0.03 -0.59 0.00 -1.32 0.00 0.00 178.16 176.27 3i2g h ARG 148 N 0.07 0.00 -2.05 1.82 3.08 -1.67 0.15 114.38 115.79 3i2g h ARG 148 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i2g h ARG 148 Cb 0.02 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.86 3i2g h ARG 148 CO -0.04 0.59 0.03 0.00 -1.07 0.00 0.00 179.97 179.48 3i2g s ALA 149 N -3.42 -1.80 -2.65 0.04 0.00 -0.60 -3.89 121.76 109.44 3i2g s ALA 149 Ca -0.00 2.26 0.22 0.00 0.00 0.00 0.00 51.96 54.44 3i2g s ALA 149 Cb 0.11 -1.33 0.20 0.00 0.00 0.00 0.00 23.12 22.11 3i2g s ALA 149 CO 0.75 -0.36 1.21 -0.35 0.00 0.00 0.00 175.76 177.01 3i2g n PRO 150 N 3.89 2.07 0.08 0.00 -0.04 -1.16 -3.79 135.00 136.05 3i2g n PRO 150 Ca -0.19 -1.85 -0.23 0.00 -0.04 0.00 0.00 63.50 61.19 3i2g n PRO 150 Cb 0.58 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.46 3i2g n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2g h TRP 151 N 4.25 0.74 0.00 0.54 -0.00 -1.58 -3.42 115.95 116.47 3i2g h TRP 151 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 58.89 58.35 3i2g h TRP 151 Cb 0.91 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.04 3i2g h TRP 151 CO 0.03 1.64 0.00 0.66 -0.00 0.00 0.00 178.44 180.78 3i2g n TYR 152 N -3.66 0.00 0.00 0.49 4.02 0.44 -0.68 117.16 117.76 3i2g n TYR 152 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3i2g n TYR 152 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 3i2g n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2g n GLY 153 N 5.00 0.40 0.03 2.72 0.00 -0.67 -4.27 105.19 108.39 3i2g n GLY 153 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3i2g n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i2g n PRO 154 N -0.48 0.04 0.09 1.61 -0.04 -1.26 -2.09 135.00 132.87 3i2g n PRO 154 Ca 0.00 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 3i2g n PRO 154 Cb 0.00 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 31.92 3i2g n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i2g n GLY 155 N -0.65 -1.43 1.61 0.55 0.00 -1.25 -4.91 105.19 99.11 3i2g n GLY 155 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i2g n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 156 N 1.23 0.60 3.64 -0.02 0.00 -0.89 -1.55 105.19 108.21 3i2g n GLY 156 Ca 0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3i2g n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2g s ALA 157 N -2.00 3.16 0.18 4.61 0.00 -1.26 -4.73 121.76 121.72 3i2g s ALA 157 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 3i2g s ALA 157 Cb 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3i2g s ALA 157 CO 0.00 0.66 1.30 -1.17 0.00 0.00 0.00 175.76 176.55 3i2g s LEU 158 N -1.98 4.41 -1.32 0.00 2.96 -1.26 -3.61 118.68 117.89 3i2g s LEU 158 Ca 0.22 2.35 -0.11 0.00 -0.22 0.00 0.00 54.13 56.37 3i2g s LEU 158 Cb -0.11 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.11 3i2g s LEU 158 CO 0.14 -0.52 1.94 -1.20 -1.32 0.00 0.00 176.35 175.39 3i2g n SER 159 N 2.85 4.79 -0.32 3.68 7.64 0.14 -0.96 113.62 131.45 3i2g n SER 159 Ca 0.07 -3.04 -0.04 0.00 1.01 0.00 0.00 58.87 56.87 3i2g n SER 159 Cb 0.43 -1.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.18 3i2g n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3i2g h VAL 160 N 3.88 1.26 -0.44 0.44 3.04 -1.71 -0.86 116.25 121.86 3i2g h VAL 160 Ca 0.44 -0.67 -0.06 0.00 -1.01 0.00 0.00 66.70 65.40 3i2g h VAL 160 Cb 0.65 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 3i2g h VAL 160 CO 1.67 0.30 0.04 1.05 -1.01 0.00 0.00 177.57 179.62 3i2g h GLU 161 N 1.22 0.70 -0.33 4.17 -0.00 -1.67 -0.47 114.58 118.20 3i2g h GLU 161 Ca 0.30 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.36 59.44 3i2g h GLU 161 Cb 0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 28.70 3i2g h GLU 161 CO -0.05 0.69 -0.05 0.00 -0.00 0.00 0.00 179.01 179.60 3i2g h ALA 162 N 1.38 0.46 0.61 1.06 0.00 -1.61 -1.55 119.26 119.61 3i2g h ALA 162 Ca 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i2g h ALA 162 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i2g h ALA 162 CO 0.01 0.26 -0.33 1.25 0.00 0.00 0.00 179.25 180.44 3i2g h LEU 163 N 0.41 -0.81 -0.24 0.00 5.85 -0.51 -1.17 115.31 118.84 3i2g h LEU 163 Ca 0.09 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 3i2g h LEU 163 Cb 0.53 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3i2g h LEU 163 CO 0.03 -0.54 -0.55 -0.07 -0.34 0.00 0.00 178.44 176.97 3i2g h LEU 164 N -0.87 0.90 -0.11 2.25 3.38 -1.17 -1.34 115.31 118.34 3i2g h LEU 164 Ca -0.08 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.38 3i2g h LEU 164 Cb 0.69 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3i2g h LEU 164 CO 0.11 1.29 -0.15 1.23 0.09 0.00 0.00 178.44 181.01 3i2g h GLY 165 N 0.54 -0.08 0.95 0.83 0.00 -1.32 -0.77 103.07 103.22 3i2g h GLY 165 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 3i2g h GLY 165 CO 0.12 -0.15 0.13 -0.25 0.00 0.00 0.00 176.54 176.39 3i2g h TRP 166 N -0.19 0.72 -0.98 5.60 7.01 -1.14 -2.16 115.95 124.81 3i2g h TRP 166 Ca 0.09 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3i2g h TRP 166 Cb 0.31 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.12 3i2g h TRP 166 CO -0.26 0.65 0.62 0.77 -2.79 0.00 0.00 178.44 177.44 3i2g h SER 167 N 0.57 1.15 -0.51 2.65 0.02 -1.09 0.20 113.55 116.54 3i2g h SER 167 Ca 0.14 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3i2g h SER 167 Cb 0.28 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3i2g h SER 167 CO -0.00 0.86 0.20 0.00 -1.14 0.00 0.00 176.83 176.75 3i2g h ALA 168 N 1.34 1.31 -0.12 3.77 0.00 -0.97 0.23 119.26 124.83 3i2g h ALA 168 Ca 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i2g h ALA 168 Cb -0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3i2g h ALA 168 CO -0.07 0.51 -0.04 1.25 0.00 0.00 0.00 179.25 180.89 3i2g h LEU 169 N 0.81 0.24 -0.11 0.00 5.85 -0.45 -0.51 115.31 121.13 3i2g h LEU 169 Ca 0.19 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3i2g h LEU 169 Cb 0.19 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3i2g h LEU 169 CO -0.01 0.58 0.07 0.40 -0.34 0.00 0.00 178.44 179.13 3i2g h ILE 170 N -0.10 1.04 -0.68 4.05 1.08 -0.90 -1.62 117.51 120.38 3i2g h ILE 170 Ca 0.03 -0.08 0.13 0.00 -0.39 0.00 0.00 64.86 64.54 3i2g h ILE 170 Cb 0.48 0.90 -0.13 0.00 -3.07 0.00 0.00 36.82 35.00 3i2g h ILE 170 CO 0.01 0.04 -0.24 1.23 -0.69 0.00 0.00 178.15 178.50 3i2g h GLY 171 N 0.13 0.28 0.71 5.37 0.00 -0.47 0.52 103.07 109.61 3i2g h GLY 171 Ca 0.04 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.75 3i2g h GLY 171 CO -0.01 -0.25 0.46 -0.84 0.00 0.00 0.00 176.54 175.91 3i2g h THR 172 N -0.06 1.01 0.53 4.70 2.02 -0.62 -2.21 112.91 118.28 3i2g h THR 172 Ca 0.30 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3i2g h THR 172 Cb 0.54 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3i2g h THR 172 CO -0.73 0.16 -0.26 1.56 0.37 0.00 0.00 175.52 176.62 3i2g h GLN 173 N 0.85 -0.69 -1.08 6.66 4.20 -0.10 -0.96 115.11 124.00 3i2g h GLN 173 Ca 0.34 0.05 0.37 0.00 0.06 0.00 0.00 58.65 59.47 3i2g h GLN 173 Cb 0.18 0.16 -0.15 0.00 0.30 0.00 0.00 27.48 27.97 3i2g h GLN 173 CO -0.18 -0.40 0.63 -0.07 -0.67 0.00 0.00 178.83 178.15 3i2g h LEU 174 N -0.89 0.41 0.26 1.46 3.38 -0.77 0.29 115.31 119.44 3i2g h LEU 174 Ca -0.07 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3i2g h LEU 174 Cb 0.61 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i2g h LEU 174 CO 0.12 -0.21 -0.13 0.40 0.09 0.00 0.00 178.44 178.72 3i2g h ILE 175 N 0.20 0.00 0.00 1.22 2.04 -1.23 -3.31 117.51 116.42 3i2g h ILE 175 Ca 0.78 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 66.32 3i2g h ILE 175 Cb 2.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3i2g h ILE 175 CO -0.59 0.00 0.25 0.74 0.00 0.00 0.00 178.15 178.55 3i2g h THR 176 N -0.67 0.00 -0.97 -0.27 2.02 -0.18 -1.75 112.91 111.09 3i2g h THR 176 Ca -0.04 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.53 3i2g h THR 176 Cb 0.27 0.63 -0.30 0.00 -1.74 0.00 0.00 68.15 67.02 3i2g h THR 176 CO 0.06 0.00 0.72 -1.54 0.37 0.00 0.00 175.52 175.13 3i2g n SER 177 N -2.72 6.21 -4.16 4.18 3.41 0.93 -4.80 113.62 116.68 3i2g n SER 177 Ca -0.02 -3.73 -0.33 0.00 -0.26 0.00 0.00 58.87 54.52 3i2g n SER 177 Cb 0.30 -0.90 -0.15 0.00 -0.26 0.00 0.00 64.21 63.19 3i2g n SER 177 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i2g s ARG 178 N -3.64 2.95 0.44 4.33 0.52 -0.66 -4.74 118.95 118.16 3i2g s ARG 178 Ca 0.61 -0.87 0.20 0.00 -0.52 0.00 0.00 55.73 55.15 3i2g s ARG 178 Cb 0.49 -2.74 1.04 0.00 0.52 0.00 0.00 34.95 34.27 3i2g s ARG 178 CO 0.03 -0.27 1.93 0.66 0.02 0.00 0.00 175.30 177.67 3i2g h SER 179 N 7.96 0.00 -3.39 0.23 4.64 -1.89 -3.39 113.55 117.71 3i2g h SER 179 Ca -0.41 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.26 3i2g h SER 179 Cb 1.13 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.97 3i2g h SER 179 CO 0.61 0.24 -0.70 -1.81 -0.87 0.00 0.00 176.83 174.30 3i2g s ASP 180 N -6.56 4.51 -0.20 4.97 1.01 -1.26 -5.10 116.67 114.04 3i2g s ASP 180 Ca -0.02 -0.28 -0.20 0.00 0.71 0.00 0.00 52.55 52.75 3i2g s ASP 180 Cb 0.14 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.28 3i2g s ASP 180 CO 0.66 0.06 0.60 0.00 0.21 0.00 0.00 175.17 176.70 3i2g s ALA 181 N 1.01 3.54 0.63 5.23 0.00 -1.26 -5.07 121.76 125.84 3i2g s ALA 181 Ca 0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 3i2g s ALA 181 Cb -0.15 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3i2g s ALA 181 CO 0.01 -0.52 1.22 1.03 0.00 0.00 0.00 175.76 177.49 3i2g s ARG 182 N 1.82 2.75 0.39 0.00 0.52 -1.26 -4.97 118.95 118.20 3i2g s ARG 182 Ca 0.28 1.83 0.09 0.00 -0.52 0.00 0.00 55.73 57.41 3i2g s ARG 182 Cb -0.16 -1.90 0.86 0.00 0.52 0.00 0.00 34.95 34.27 3i2g s ARG 182 CO 0.10 -1.38 1.98 -1.35 0.02 0.00 0.00 175.30 174.67 3i2g h PRO 183 N 0.57 0.59 -0.00 3.54 0.11 -2.06 -2.60 132.00 132.15 3i2g h PRO 183 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i2g h PRO 183 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i2g h PRO 183 CO 0.54 0.39 -0.08 -0.85 -0.21 0.00 0.00 178.00 177.79 3i2g n GLU 184 N -4.48 0.38 -0.06 1.05 0.00 -1.26 -4.17 120.64 112.10 3i2g n GLU 184 Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 57.16 57.10 3i2g n GLU 184 Cb 0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 3i2g n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i2g h ASP 185 N 0.18 -0.11 -0.47 -1.84 3.32 -1.85 0.32 116.42 115.96 3i2g h ASP 185 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.15 3i2g h ASP 185 Cb 0.38 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3i2g h ASP 185 CO 0.00 -0.03 0.24 0.00 -1.72 0.00 0.00 179.24 177.73 3i2g h ALA 186 N 1.21 0.60 -0.14 3.45 0.00 -1.79 -0.49 119.26 122.10 3i2g h ALA 186 Ca 0.11 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 3i2g h ALA 186 Cb 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i2g h ALA 186 CO -0.20 -0.11 -0.76 0.00 0.00 0.00 0.00 179.25 178.18 3i2g h ALA 187 N 1.25 0.40 -0.83 0.00 0.00 -1.79 -2.86 119.26 115.44 3i2g h ALA 187 Ca 0.21 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3i2g h ALA 187 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3i2g h ALA 187 CO -0.14 0.71 0.48 -0.44 0.00 0.00 0.00 179.25 179.86 3i2g h ASP 188 N 0.47 1.00 -0.35 0.00 3.32 -0.73 -1.98 116.42 118.16 3i2g h ASP 188 Ca -0.04 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3i2g h ASP 188 Cb 1.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3i2g h ASP 188 CO 0.15 0.78 0.23 0.15 -1.72 0.00 0.00 179.24 178.83 3i2g h PHE 189 N 1.15 0.43 -0.57 4.55 3.04 -0.99 -0.83 116.94 123.72 3i2g h PHE 189 Ca 0.30 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.32 3i2g h PHE 189 Cb -0.02 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 38.29 3i2g h PHE 189 CO 0.01 0.27 0.26 0.28 -2.02 0.00 0.00 178.31 177.10 3i2g h VAL 190 N 0.46 0.88 -0.39 1.41 2.07 -1.23 -1.49 116.25 117.96 3i2g h VAL 190 Ca 0.13 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 3i2g h VAL 190 Cb -0.05 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3i2g h VAL 190 CO -0.03 0.09 -0.21 1.56 0.02 0.00 0.00 177.57 179.00 3i2g h GLN 191 N 0.48 0.77 -0.47 1.57 4.20 -0.86 -1.99 115.11 118.81 3i2g h GLN 191 Ca 0.27 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3i2g h GLN 191 Cb 0.24 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3i2g h GLN 191 CO -0.22 0.92 0.18 -0.07 -0.67 0.00 0.00 178.83 178.96 3i2g h LEU 192 N 0.68 0.65 -1.09 1.46 3.38 -0.93 -2.17 115.31 117.29 3i2g h LEU 192 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i2g h LEU 192 Cb 0.72 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3i2g h LEU 192 CO 0.06 0.65 0.52 0.00 0.09 0.00 0.00 178.44 179.76 3i2g h ALA 193 N 1.02 1.32 -0.51 1.53 0.00 -1.06 -1.87 119.26 119.69 3i2g h ALA 193 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3i2g h ALA 193 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3i2g h ALA 193 CO -0.01 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3i2g h ALA 194 N 1.41 0.97 -0.17 0.00 0.00 -1.12 0.90 119.26 121.24 3i2g h ALA 194 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i2g h ALA 194 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i2g h ALA 194 CO -0.06 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.72 3i2g h ILE 195 N 0.82 1.12 0.00 0.00 2.04 -1.09 -2.81 117.51 117.59 3i2g h ILE 195 Ca 0.15 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3i2g h ILE 195 Cb 0.54 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3i2g h ILE 195 CO 0.03 0.11 -0.13 -0.07 0.00 0.00 0.00 178.15 178.09 3i2g h LEU 196 N 0.16 0.00 -0.03 1.44 3.38 -0.86 -0.76 115.31 118.64 3i2g h LEU 196 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i2g h LEU 196 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i2g h LEU 196 CO -0.01 0.13 -0.22 0.59 0.09 0.00 0.00 178.44 179.03 3i2g n ASN 197 N -3.55 0.25 -2.79 -0.43 3.02 0.27 -4.48 115.26 107.55 3i2g n ASN 197 Ca -0.01 0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 3i2g n ASN 197 Cb 0.28 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 3i2g n ASN 197 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i2g n ASP 198 N -1.44 -2.36 -0.29 6.41 2.03 -0.76 -4.99 116.55 115.14 3i2g n ASP 198 Ca 0.07 -3.42 -0.05 0.00 0.52 0.00 0.00 54.79 51.91 3i2g n ASP 198 Cb 0.33 1.64 0.08 0.00 -0.72 0.00 0.00 41.12 42.45 3i2g n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2g h VAL 199 N 2.86 1.26 -0.90 5.18 2.07 -1.39 -1.37 116.25 123.96 3i2g h VAL 199 Ca -0.11 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3i2g h VAL 199 Cb 1.05 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3i2g h VAL 199 CO 0.27 0.33 0.57 0.00 0.02 0.00 0.00 177.57 178.75 3i2g h ALA 200 N 1.21 1.23 -0.02 1.67 0.00 -1.94 0.20 119.26 121.61 3i2g h ALA 200 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i2g h ALA 200 Cb 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i2g h ALA 200 CO -0.03 0.34 -0.01 0.78 0.00 0.00 0.00 179.25 180.33 3i2g h GLY 201 N 1.04 0.01 1.14 0.00 0.00 -1.72 -2.28 103.07 101.27 3i2g h GLY 201 Ca 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 3i2g h GLY 201 CO -0.17 -0.01 0.45 0.00 0.00 0.00 0.00 176.54 176.81 3i2g h ALA 202 N 1.02 1.26 0.00 3.60 0.00 -0.88 -2.18 119.26 122.07 3i2g h ALA 202 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i2g h ALA 202 Cb 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3i2g h ALA 202 CO -0.02 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3i2g h ALA 203 N 1.36 1.00 0.00 0.00 0.00 -0.80 -3.24 119.26 117.58 3i2g h ALA 203 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i2g h ALA 203 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i2g h ALA 203 CO -0.05 0.00 -0.57 0.77 0.00 0.00 0.00 179.25 179.40 3i2g h SER 204 N 0.00 0.00 -2.95 0.00 0.02 -0.79 -3.46 113.55 106.36 3i2g h SER 204 Ca 0.00 -0.04 -0.52 0.00 -0.84 0.00 0.00 61.79 60.39 3i2g h SER 204 Cb 0.35 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.94 3i2g h SER 204 CO 0.00 0.02 0.85 0.68 -1.14 0.00 0.00 176.83 177.24 3i2g s VAL 205 N -3.27 2.62 0.01 2.27 -7.23 -1.23 -5.02 120.40 108.56 3i2g s VAL 205 Ca 0.04 0.46 0.06 0.00 -1.81 0.00 0.00 61.98 60.72 3i2g s VAL 205 Cb 0.09 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 3i2g s VAL 205 CO 0.73 0.04 -0.16 0.42 -0.31 0.00 0.00 175.10 175.82 3i2g s THR 206 N 0.88 2.91 0.42 5.32 -4.23 -1.26 -3.47 115.64 116.21 3i2g s THR 206 Ca 0.68 -1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 59.94 3i2g s THR 206 Cb -0.43 -2.20 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 3i2g s THR 206 CO 0.34 0.43 1.11 -2.84 -0.54 0.00 0.00 174.62 173.12 3i2g s PRO 207 N -1.19 4.00 0.40 3.99 0.02 -1.26 -4.80 135.00 136.16 3i2g s PRO 207 Ca 0.14 1.65 0.07 0.00 0.02 0.00 0.00 61.00 62.88 3i2g s PRO 207 Cb -0.11 -2.51 0.84 0.00 0.02 0.00 0.00 34.50 32.75 3i2g s PRO 207 CO 0.04 -0.32 2.05 1.25 -0.33 0.00 0.00 177.00 179.69 3i2g h LEU 208 N 2.34 0.50 0.00 -5.54 5.85 -1.23 -2.09 115.31 115.14 3i2g h LEU 208 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3i2g h LEU 208 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3i2g h LEU 208 CO 0.61 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 179.07 3i2g n ALA 209 N -2.47 1.65 -2.79 1.25 0.00 -0.02 -4.42 120.51 113.71 3i2g n ALA 209 Ca 0.04 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3i2g n ALA 209 Cb 0.08 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 3i2g n ALA 209 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i2g s GLU 210 N -2.89 3.18 -0.45 0.00 2.02 -0.79 -4.93 118.70 114.85 3i2g s GLU 210 Ca 0.08 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3i2g s GLU 210 Cb 0.09 -4.13 0.15 0.00 0.10 0.00 0.00 34.13 30.34 3i2g s GLU 210 CO 0.23 -1.49 0.31 -0.65 0.02 0.00 0.00 175.26 173.68 3i2g s GLN 211 N 3.44 1.15 0.07 1.61 -1.52 -1.26 -4.93 119.66 118.22 3i2g s GLN 211 Ca 0.22 -2.09 -0.20 0.00 -1.95 0.00 0.00 55.36 51.33 3i2g s GLN 211 Cb -0.17 -1.92 -0.11 0.00 -0.22 0.00 0.00 33.01 30.59 3i2g s GLN 211 CO 0.13 -1.28 1.51 -1.35 -0.25 0.00 0.00 175.29 174.06 3i2g h PRO 212 N 6.19 0.31 0.45 2.91 0.11 -1.98 0.18 132.00 140.17 3i2g h PRO 212 Ca 0.13 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3i2g h PRO 212 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3i2g h PRO 212 CO 0.43 0.51 -0.22 1.25 -0.21 0.00 0.00 178.00 179.76 3i2g h LEU 213 N 0.07 -0.51 -0.72 2.35 5.85 -2.00 -2.85 115.31 117.51 3i2g h LEU 213 Ca 0.05 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3i2g h LEU 213 Cb 0.36 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3i2g h LEU 213 CO 0.01 -0.11 0.11 -0.07 -0.34 0.00 0.00 178.44 178.04 3i2g h LEU 214 N -1.01 1.05 -1.27 2.25 3.38 -1.93 -1.90 115.31 115.87 3i2g h LEU 214 Ca -0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3i2g h LEU 214 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3i2g h LEU 214 CO 0.10 1.04 0.38 1.23 0.09 0.00 0.00 178.44 181.28 3i2g h GLY 215 N 1.05 0.94 0.74 0.83 0.00 -0.77 0.30 103.07 106.15 3i2g h GLY 215 Ca 0.20 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3i2g h GLY 215 CO 0.01 0.37 -0.29 -0.09 0.00 0.00 0.00 176.54 176.54 3i2g h ARG 216 N 0.89 0.38 -0.16 4.80 2.43 -1.22 -2.13 114.38 119.37 3i2g h ARG 216 Ca 0.23 -0.27 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3i2g h ARG 216 Cb -0.03 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3i2g h ARG 216 CO -0.04 0.89 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.74 3i2g h LEU 217 N -0.06 0.72 -6.58 3.80 3.38 -1.26 -3.40 115.31 111.91 3i2g h LEU 217 Ca -0.01 -0.59 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 3i2g h LEU 217 Cb 0.91 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 41.06 3i2g h LEU 217 CO 0.06 1.19 -0.87 -0.63 0.09 0.00 0.00 178.44 178.28 3i2g s ILE 218 N -3.88 0.77 0.44 1.22 1.01 0.10 -5.00 121.20 115.86 3i2g s ILE 218 Ca -0.12 -2.66 0.23 0.00 0.00 0.00 0.00 60.65 58.10 3i2g s ILE 218 Cb 0.07 -1.54 0.43 0.00 0.01 0.00 0.00 42.46 41.43 3i2g s ILE 218 CO 0.84 -1.11 1.80 -0.65 0.00 0.00 0.00 174.94 175.82 3i2g h PRO 219 N 6.03 0.28 -1.10 2.79 0.11 -1.52 -1.96 132.00 136.64 3i2g h PRO 219 Ca 0.17 -0.02 0.30 0.00 0.11 0.00 0.00 66.00 66.56 3i2g h PRO 219 Cb 0.90 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.86 3i2g h PRO 219 CO 0.41 0.19 0.72 2.35 -0.21 0.00 0.00 178.00 181.46 3i2g h TRP 220 N 0.29 0.53 -0.54 0.65 7.01 -1.90 0.32 115.95 122.31 3i2g h TRP 220 Ca 0.55 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.67 3i2g h TRP 220 Cb 1.60 -0.15 -0.11 0.00 -2.10 0.00 0.00 29.16 28.40 3i2g h TRP 220 CO -0.00 0.02 -0.34 0.28 -2.79 0.00 0.00 178.44 175.60 3i2g h VAL 221 N 0.29 0.18 0.00 2.65 2.07 -1.67 0.02 116.25 119.78 3i2g h VAL 221 Ca 0.62 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 68.05 3i2g h VAL 221 Cb 1.76 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3i2g h VAL 221 CO -0.26 0.00 -0.50 0.40 0.02 0.00 0.00 177.57 177.23 3i2g h ILE 222 N -0.19 1.18 -0.75 4.57 1.08 -1.57 0.13 117.51 121.96 3i2g h ILE 222 Ca 0.21 -2.06 0.06 0.00 -0.39 0.00 0.00 64.86 62.68 3i2g h ILE 222 Cb 0.55 2.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.65 3i2g h ILE 222 CO -0.65 0.40 0.44 0.44 -0.69 0.00 0.00 178.15 178.09 3i2g h ASP 223 N -1.00 0.66 0.00 1.72 3.32 -0.89 -0.40 116.42 119.82 3i2g h ASP 223 Ca -0.13 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3i2g h ASP 223 Cb 0.98 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 3i2g h ASP 223 CO -0.08 0.42 -0.80 1.67 -1.72 0.00 0.00 179.24 178.73 3i2g n GLN 224 N -4.73 0.49 -0.00 3.56 -0.06 -0.05 -4.62 117.38 111.97 3i2g n GLN 224 Ca 0.10 0.41 -0.01 0.00 -2.00 0.00 0.00 57.00 55.50 3i2g n GLN 224 Cb 0.19 -1.60 -0.00 0.00 -4.06 0.00 0.00 30.24 24.77 3i2g n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2g h VAL 225 N -1.00 0.00 -0.52 1.69 2.07 -1.08 -2.93 116.25 114.47 3i2g h VAL 225 Ca -0.05 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3i2g h VAL 225 Cb 0.77 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3i2g h VAL 225 CO -0.03 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.41 3i2g h VAL 226 N -0.47 1.17 0.00 2.57 2.07 -0.97 -2.17 116.25 118.45 3i2g h VAL 226 Ca -0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3i2g h VAL 226 Cb 0.04 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3i2g h VAL 226 CO 0.01 0.19 0.00 0.47 0.02 0.00 0.00 177.57 178.26 3i2g n ASP 227 N -4.39 0.00 -3.56 0.57 8.00 -0.16 -4.21 116.55 112.79 3i2g n ASP 227 Ca 0.04 0.43 -0.27 0.00 0.71 0.00 0.00 54.79 55.70 3i2g n ASP 227 Cb 0.11 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 3i2g n ASP 227 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i2g n HIS 228 N -1.47 3.24 0.23 1.24 8.25 -0.81 -4.89 115.22 121.00 3i2g n HIS 228 Ca 0.06 -4.16 0.08 0.00 -0.26 0.00 0.00 57.72 53.44 3i2g n HIS 228 Cb 0.27 -0.55 0.56 0.00 1.12 0.00 0.00 29.99 31.39 3i2g n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2g h PRO 229 N 4.58 0.00 -6.57 -0.41 0.13 -1.75 -3.43 132.00 124.55 3i2g h PRO 229 Ca 0.18 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.79 3i2g h PRO 229 Cb 0.71 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 3i2g h PRO 229 CO 0.77 0.19 0.04 -0.51 -0.23 0.00 0.00 178.00 178.26 3i2g s ASP 230 N -6.67 6.84 -1.31 1.44 1.01 -1.26 -4.93 116.67 111.79 3i2g s ASP 230 Ca -0.03 1.23 -0.17 0.00 0.71 0.00 0.00 52.55 54.29 3i2g s ASP 230 Cb 0.14 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.74 3i2g s ASP 230 CO 0.66 -0.06 2.00 -3.20 0.21 0.00 0.00 175.17 174.77 3i2g n ASN 231 N 0.19 4.04 -1.79 0.27 5.15 -0.02 -4.87 115.26 118.24 3i2g n ASN 231 Ca -0.00 -2.84 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 3i2g n ASN 231 Cb 0.52 -1.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 3i2g n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2g n ASP 232 N 7.72 0.13 -0.11 1.20 5.68 -1.26 -4.54 116.55 125.37 3i2g n ASP 232 Ca 0.50 -0.89 0.09 0.00 -0.50 0.00 0.00 54.79 53.98 3i2g n ASP 232 Cb 0.42 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.84 3i2g n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i2g h GLU 233 N 0.00 0.54 -0.17 0.11 3.07 -1.98 0.55 114.58 116.71 3i2g h GLU 233 Ca 0.00 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3i2g h GLU 233 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3i2g h GLU 233 CO 0.00 0.36 -0.07 0.66 -1.40 0.00 0.00 179.01 178.56 3i2g h SER 234 N 0.56 0.23 0.16 1.42 4.64 -1.94 0.89 113.55 119.51 3i2g h SER 234 Ca 0.27 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.31 3i2g h SER 234 Cb 0.35 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3i2g h SER 234 CO -0.08 0.34 -1.14 -0.50 -0.87 0.00 0.00 176.83 174.57 3i2g h TRP 235 N 0.24 0.61 -0.08 4.77 4.06 -1.30 -3.35 115.95 120.90 3i2g h TRP 235 Ca 0.05 -0.45 -0.05 0.00 2.06 0.00 0.00 58.89 60.51 3i2g h TRP 235 Cb 0.28 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 3i2g h TRP 235 CO 0.00 1.44 -0.17 1.96 -3.56 0.00 0.00 178.44 178.11 3i2g h GLN 236 N -0.24 0.13 -0.89 0.49 4.20 -0.83 -1.20 115.11 116.78 3i2g h GLN 236 Ca -0.22 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.60 3i2g h GLN 236 Cb 1.80 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.47 3i2g h GLN 236 CO 0.15 0.31 0.50 1.03 -0.67 0.00 0.00 178.83 180.15 3i2g h SER 237 N 0.13 0.65 0.14 1.46 0.87 -0.96 -2.67 113.55 113.17 3i2g h SER 237 Ca 0.02 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3i2g h SER 237 Cb 0.38 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3i2g h SER 237 CO 0.03 0.30 -0.88 2.30 -0.53 0.00 0.00 176.83 178.04 3i2g n ILE 238 N -4.80 0.00 -2.12 2.23 -5.35 -0.63 -4.96 119.36 103.74 3i2g n ILE 238 Ca 0.18 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.26 3i2g n ILE 238 Cb 0.42 0.78 -0.01 0.00 -1.74 0.00 0.00 39.64 39.09 3i2g n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2g s SER 239 N -3.03 6.35 -0.01 7.28 0.15 -0.55 -4.81 113.70 119.08 3i2g s SER 239 Ca 0.09 2.56 0.12 0.00 0.70 0.00 0.00 55.95 59.42 3i2g s SER 239 Cb 0.16 -2.63 -0.17 0.00 -1.71 0.00 0.00 66.02 61.68 3i2g s SER 239 CO 0.82 -0.82 0.39 0.18 1.20 0.00 0.00 173.24 175.02 3i2g n LEU 240 N 0.08 0.28 -0.33 3.45 7.99 0.87 -4.81 117.00 124.53 3i2g n LEU 240 Ca 0.04 -0.24 0.10 0.00 -0.01 0.00 0.00 56.01 55.90 3i2g n LEU 240 Cb 0.44 0.00 0.30 0.00 -0.11 0.00 0.00 43.42 44.06 3i2g n LEU 240 CO 0.54 0.07 1.22 0.15 -1.51 0.00 0.00 177.39 177.86 3i2g h PHE 241 N 0.00 1.02 0.00 -1.77 3.57 -1.71 -1.65 116.94 116.41 3i2g h PHE 241 Ca 0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3i2g h PHE 241 Cb 0.44 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3i2g h PHE 241 CO 0.00 0.36 -0.65 0.93 -2.23 0.00 0.00 178.31 176.72 3i2g h GLU 242 N 0.85 0.00 0.00 1.11 4.39 -1.89 -2.54 114.58 116.49 3i2g h GLU 242 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3i2g h GLU 242 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3i2g h GLU 242 CO -0.27 0.65 0.00 0.54 -1.16 0.00 0.00 179.01 178.77 3i2g n ARG 243 N -3.74 0.10 -0.23 2.33 1.74 -0.63 -3.99 116.66 112.23 3i2g n ARG 243 Ca -0.01 0.16 -0.08 0.00 -0.77 0.00 0.00 57.85 57.15 3i2g n ARG 243 Cb 0.64 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 3i2g n ARG 243 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i2g h LEU 244 N 0.00 1.06 -0.89 0.55 3.38 -1.31 -2.90 115.31 115.20 3i2g h LEU 244 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i2g h LEU 244 Cb 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i2g h LEU 244 CO 0.00 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.20 3i2g n GLY 245 N -0.55 -1.07 0.28 0.83 0.00 -1.26 -1.47 105.19 101.97 3i2g n GLY 245 Ca 0.04 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3i2g n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 246 N -0.56 -0.49 3.90 -0.02 0.00 -1.10 -4.96 105.19 101.96 3i2g n GLY 246 Ca 0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3i2g n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2g s LEU 247 N -2.61 3.51 -0.24 0.99 1.43 -0.54 -5.00 118.68 116.22 3i2g s LEU 247 Ca 0.19 1.01 0.15 0.00 -1.03 0.00 0.00 54.13 54.45 3i2g s LEU 247 Cb 0.18 -3.97 0.47 0.00 0.03 0.00 0.00 46.19 42.91 3i2g s LEU 247 CO 0.60 -0.69 1.16 0.00 0.23 0.00 0.00 176.35 177.66 3i2g n ALA 248 N -2.39 3.71 -2.63 4.21 0.00 -1.26 -4.77 120.51 117.38 3i2g n ALA 248 Ca 0.02 -3.21 -0.39 0.00 0.00 0.00 0.00 53.44 49.85 3i2g n ALA 248 Cb 0.55 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 3i2g n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2g s THR 249 N -3.72 5.11 0.30 0.00 2.01 -1.26 -4.74 115.64 113.35 3i2g s THR 249 Ca 0.39 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 3i2g s THR 249 Cb 0.37 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 3i2g s THR 249 CO -0.02 0.14 1.30 -2.65 -0.69 0.00 0.00 174.62 172.70 3i2g n PRO 250 N 5.19 2.01 -3.73 4.92 -0.02 -1.26 -4.77 135.00 137.35 3i2g n PRO 250 Ca -0.06 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 3i2g n PRO 250 Cb 0.50 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 3i2g n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2g s ALA 251 N -0.77 0.21 -0.45 3.55 0.00 -0.95 -1.50 121.76 121.85 3i2g s ALA 251 Ca 0.60 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 3i2g s ALA 251 Cb -0.61 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.09 3i2g s ALA 251 CO 0.58 -0.32 0.41 -1.17 0.00 0.00 0.00 175.76 175.25 3i2g s LEU 252 N 1.69 5.31 -0.18 0.00 0.20 -0.21 -0.87 118.68 124.62 3i2g s LEU 252 Ca -0.01 -1.08 -0.03 0.00 0.69 0.00 0.00 54.13 53.70 3i2g s LEU 252 Cb -0.12 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.38 3i2g s LEU 252 CO -0.03 -0.62 -0.06 -0.63 -0.29 0.00 0.00 176.35 174.72 3i2g s ILE 253 N 1.85 3.46 -0.02 6.68 1.01 -0.32 -2.71 121.20 131.15 3i2g s ILE 253 Ca 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3i2g s ILE 253 Cb -0.21 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3i2g s ILE 253 CO 0.09 0.46 -0.11 -0.89 0.00 0.00 0.00 174.94 174.50 3i2g s THR 254 N 0.95 3.37 0.19 2.92 2.01 -1.14 -1.28 115.64 122.65 3i2g s THR 254 Ca -0.00 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3i2g s THR 254 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3i2g s THR 254 CO 0.01 0.47 0.20 0.00 -0.69 0.00 0.00 174.62 174.61 3i2g s ALA 255 N -0.88 0.66 -0.00 7.40 0.00 -0.10 -0.07 121.76 128.76 3i2g s ALA 255 Ca 0.14 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.77 3i2g s ALA 255 Cb -0.11 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 3i2g s ALA 255 CO 0.04 -0.63 -0.12 0.20 0.00 0.00 0.00 175.76 175.26 3i2g s GLY 256 N -3.08 0.58 0.57 0.00 0.00 -1.26 -2.27 107.32 101.85 3i2g s GLY 256 Ca 0.29 -0.53 0.27 0.00 0.00 0.00 0.00 44.72 44.76 3i2g s GLY 256 CO 0.08 -0.45 2.21 1.49 0.00 0.00 0.00 173.10 176.43 3i2g h TRP 257 N 5.75 0.00 -0.30 1.90 -0.00 -1.09 -1.71 115.95 120.49 3i2g h TRP 257 Ca -0.33 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.48 3i2g h TRP 257 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.28 3i2g h TRP 257 CO 0.42 0.02 -0.01 0.66 -0.00 0.00 0.00 178.44 179.53 3i2g n TYR 258 N -3.91 1.01 -3.63 0.49 4.01 -0.53 -4.87 117.16 109.73 3i2g n TYR 258 Ca -0.03 -1.17 -0.37 0.00 -0.16 0.00 0.00 57.90 56.17 3i2g n TYR 258 Cb 0.11 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 3i2g n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2g s ASP 259 N -2.18 6.50 0.56 7.72 2.15 -0.64 -4.18 116.67 126.60 3i2g s ASP 259 Ca 0.43 0.60 0.31 0.00 0.43 0.00 0.00 52.55 54.31 3i2g s ASP 259 Cb 0.37 -2.16 1.47 0.00 -0.30 0.00 0.00 42.92 42.29 3i2g s ASP 259 CO 0.05 0.24 1.87 1.23 -0.17 0.00 0.00 175.17 178.39 3i2g h GLY 260 N 5.75 0.00 0.12 2.66 0.00 -1.85 0.11 103.07 109.85 3i2g h GLY 260 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i2g h GLY 260 CO 0.68 0.00 -0.19 0.69 0.00 0.00 0.00 176.54 177.71 3i2g n PHE 261 N -4.05 0.00 -0.19 5.60 3.01 -1.26 -4.61 117.46 115.95 3i2g n PHE 261 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 3i2g n PHE 261 Cb 0.91 -0.10 0.09 0.00 -0.01 0.00 0.00 39.48 40.37 3i2g n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2g h VAL 262 N 1.42 0.55 -0.30 -4.37 3.04 -1.00 0.16 116.25 115.75 3i2g h VAL 262 Ca 0.00 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.68 3i2g h VAL 262 Cb 0.50 0.39 -0.04 0.00 -2.01 0.00 0.00 31.29 30.13 3i2g h VAL 262 CO 0.00 0.03 0.05 1.23 -1.01 0.00 0.00 177.57 177.87 3i2g h GLY 263 N 0.15 0.34 1.79 3.17 0.00 -1.82 -2.11 103.07 104.59 3i2g h GLY 263 Ca 0.30 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.44 3i2g h GLY 263 CO -0.47 -0.02 -0.77 0.83 0.00 0.00 0.00 176.54 176.11 3i2g h GLU 264 N 0.16 0.20 -0.18 4.80 4.39 -1.53 -2.39 114.58 120.02 3i2g h GLU 264 Ca 0.14 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3i2g h GLU 264 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3i2g h GLU 264 CO -0.19 0.87 0.10 0.77 -1.16 0.00 0.00 179.01 179.40 3i2g h SER 265 N 0.12 0.17 -0.66 1.42 0.02 -0.55 -1.70 113.55 112.37 3i2g h SER 265 Ca -0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3i2g h SER 265 Cb 1.35 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 3i2g h SER 265 CO 0.12 0.12 0.11 -0.07 -1.14 0.00 0.00 176.83 175.97 3i2g h LEU 266 N 0.21 1.05 -1.15 5.07 3.38 -1.38 -2.34 115.31 120.14 3i2g h LEU 266 Ca 0.07 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3i2g h LEU 266 Cb -0.00 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3i2g h LEU 266 CO -0.04 1.04 0.58 0.03 0.09 0.00 0.00 178.44 180.15 3i2g h ARG 267 N 1.01 1.01 -0.75 1.13 3.08 -1.21 -2.25 114.38 116.40 3i2g h ARG 267 Ca 0.20 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3i2g h ARG 267 Cb 0.44 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3i2g h ARG 267 CO 0.01 0.67 0.23 1.79 -1.07 0.00 0.00 179.97 181.60 3i2g h THR 268 N 1.04 1.26 -0.47 2.04 1.35 -0.77 -1.74 112.91 115.62 3i2g h THR 268 Ca 0.38 -0.91 0.05 0.00 -0.55 0.00 0.00 66.41 65.37 3i2g h THR 268 Cb 0.16 0.44 -0.04 0.00 -1.73 0.00 0.00 68.15 66.97 3i2g h THR 268 CO -0.13 0.36 0.22 0.15 -0.25 0.00 0.00 175.52 175.86 3i2g h PHE 269 N 1.11 0.39 -0.28 4.73 3.57 -1.21 -2.12 116.94 123.13 3i2g h PHE 269 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 3i2g h PHE 269 Cb 0.31 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3i2g h PHE 269 CO 0.03 0.18 -0.17 0.28 -2.23 0.00 0.00 178.31 176.39 3i2g h VAL 270 N 0.43 1.24 0.00 1.41 2.07 -1.10 -1.26 116.25 119.05 3i2g h VAL 270 Ca 0.21 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 3i2g h VAL 270 Cb 0.15 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3i2g h VAL 270 CO -0.17 0.36 -0.64 0.00 0.02 0.00 0.00 177.57 177.15 3i2g h ALA 271 N 1.36 0.92 0.00 1.67 0.00 -0.98 -3.32 119.26 118.92 3i2g h ALA 271 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i2g h ALA 271 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i2g h ALA 271 CO 0.04 0.80 -1.93 1.33 0.00 0.00 0.00 179.25 179.48 3i2g n VAL 272 N -3.75 0.00 -0.07 0.00 0.24 -0.83 -4.20 118.33 109.73 3i2g n VAL 272 Ca -0.01 -0.47 0.16 0.00 -2.04 0.00 0.00 64.34 61.99 3i2g n VAL 272 Cb 0.64 0.04 0.58 0.00 -1.47 0.00 0.00 33.84 33.63 3i2g n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2g h LYS 273 N 0.00 0.24 0.00 7.34 2.10 -1.34 -2.27 116.57 122.64 3i2g h LYS 273 Ca 0.00 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 3i2g h LYS 273 Cb 0.94 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.19 3i2g h LYS 273 CO 0.00 0.16 -0.77 -0.44 -2.00 0.00 0.00 179.45 176.40 3i2g h ASP 274 N 0.24 0.00 0.11 7.07 3.32 -1.84 -3.36 116.42 121.96 3i2g h ASP 274 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3i2g h ASP 274 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3i2g h ASP 274 CO -0.06 0.77 -1.37 0.59 -1.72 0.00 0.00 179.24 177.45 3i2g n ASN 275 N -3.54 0.54 -3.77 6.45 3.02 -0.88 -5.02 115.26 112.06 3i2g n ASN 275 Ca -0.00 -0.44 -0.09 0.00 -0.03 0.00 0.00 54.58 54.02 3i2g n ASN 275 Cb 0.77 1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 41.22 3i2g n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2g s ALA 276 N -3.24 -1.01 -0.66 5.41 0.00 -1.05 -4.66 121.76 116.56 3i2g s ALA 276 Ca 0.01 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 3i2g s ALA 276 Cb 0.15 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 3i2g s ALA 276 CO 0.87 -0.88 1.94 0.34 0.00 0.00 0.00 175.76 178.03 3i2g s ASP 277 N -2.89 5.13 -0.03 0.00 2.15 -1.26 -4.49 116.67 115.27 3i2g s ASP 277 Ca 0.10 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 3i2g s ASP 277 Cb -0.02 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 3i2g s ASP 277 CO 0.00 -2.53 0.12 0.00 -0.17 0.00 0.00 175.17 172.60 3i2g s ALA 278 N 9.69 3.74 0.15 3.66 0.00 -1.26 -2.23 121.76 135.50 3i2g s ALA 278 Ca 0.71 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.96 3i2g s ALA 278 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 3i2g s ALA 278 CO 0.17 0.69 -0.17 1.03 0.00 0.00 0.00 175.76 177.48 3i2g s ARG 279 N -1.60 1.19 -0.03 0.00 1.81 -0.05 -4.93 118.95 115.35 3i2g s ARG 279 Ca 0.22 -1.34 0.01 0.00 -1.72 0.00 0.00 55.73 52.90 3i2g s ARG 279 Cb -0.12 -1.21 0.02 0.00 -0.45 0.00 0.00 34.95 33.19 3i2g s ARG 279 CO 0.13 0.25 -0.02 -1.17 -0.68 0.00 0.00 175.30 173.80 3i2g s LEU 280 N -2.55 1.42 -0.07 2.53 2.96 -0.55 -1.18 118.68 121.24 3i2g s LEU 280 Ca 0.13 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3i2g s LEU 280 Cb -0.06 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.37 3i2g s LEU 280 CO 0.05 -0.05 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.28 3i2g s VAL 281 N 0.72 0.74 -0.15 1.68 1.01 -0.40 -0.22 120.40 123.77 3i2g s VAL 281 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3i2g s VAL 281 Cb -0.11 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.56 3i2g s VAL 281 CO -0.01 0.29 0.02 -0.69 0.00 0.00 0.00 175.10 174.71 3i2g s VAL 282 N 1.21 0.54 0.47 2.92 1.01 -0.26 -0.92 120.40 125.36 3i2g s VAL 282 Ca -0.06 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3i2g s VAL 282 Cb -0.14 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.34 3i2g s VAL 282 CO -0.02 -0.03 0.48 -0.83 0.00 0.00 0.00 175.10 174.70 3i2g s GLY 283 N 1.87 2.08 -0.11 4.51 0.00 -0.96 -0.31 107.32 114.40 3i2g s GLY 283 Ca 0.01 -1.78 -0.00 0.00 0.00 0.00 0.00 44.72 42.94 3i2g s GLY 283 CO -0.07 -1.70 1.90 -1.55 0.00 0.00 0.00 173.10 171.67 3i2g n PRO 284 N -1.75 1.28 -3.49 2.90 -0.04 -1.26 -0.89 135.00 131.74 3i2g n PRO 284 Ca 0.05 -0.55 -0.28 0.00 -0.04 0.00 0.00 63.50 62.68 3i2g n PRO 284 Cb 0.62 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 3i2g n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2g s TRP 285 N -0.63 3.48 0.46 0.54 0.51 -1.26 -4.62 118.94 117.42 3i2g s TRP 285 Ca 0.11 0.53 0.08 0.00 -2.12 0.00 0.00 56.10 54.70 3i2g s TRP 285 Cb 0.09 -2.01 0.02 0.00 -0.81 0.00 0.00 33.47 30.76 3i2g s TRP 285 CO 0.00 0.27 0.57 -1.54 -0.51 0.00 0.00 176.95 175.74 3i2g s SER 286 N -3.09 5.33 0.40 2.95 1.04 -0.61 -1.46 113.70 118.26 3i2g s SER 286 Ca 0.42 -0.64 0.08 0.00 0.48 0.00 0.00 55.95 56.28 3i2g s SER 286 Cb -0.11 -0.34 0.85 0.00 0.10 0.00 0.00 66.02 66.51 3i2g s SER 286 CO 0.29 -0.90 2.02 -0.74 0.98 0.00 0.00 173.24 174.89 3i2g h HIS 287 N 0.62 0.57 -0.01 5.02 2.76 -1.78 -2.87 115.15 119.46 3i2g h HIS 287 Ca -0.38 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3i2g h HIS 287 Cb 1.28 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3i2g h HIS 287 CO 0.47 0.34 -0.03 -1.13 -1.30 0.00 0.00 177.93 176.27 3i2g n SER 288 N -4.47 1.73 -3.77 3.26 3.41 -1.26 -4.84 113.62 107.67 3i2g n SER 288 Ca 0.06 -1.36 -0.30 0.00 -0.26 0.00 0.00 58.87 57.01 3i2g n SER 288 Cb 0.14 0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 3i2g n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2g s ASN 289 N -0.91 4.07 -0.37 4.04 2.47 -1.08 -4.94 114.94 118.22 3i2g s ASN 289 Ca 0.11 -1.88 0.06 0.00 0.42 0.00 0.00 52.86 51.57 3i2g s ASN 289 Cb 0.08 -1.00 0.49 0.00 -1.45 0.00 0.00 41.25 39.37 3i2g s ASN 289 CO 0.14 -0.38 1.51 0.18 -3.72 0.00 0.00 177.10 174.83 3i2g n LEU 290 N 4.54 5.08 0.06 3.21 4.32 -1.26 -1.57 117.00 131.38 3i2g n LEU 290 Ca 0.01 -4.13 0.05 0.00 -0.02 0.00 0.00 56.01 51.92 3i2g n LEU 290 Cb 0.41 -0.63 -0.06 0.00 -1.62 0.00 0.00 43.42 41.52 3i2g n LEU 290 CO 0.15 1.53 -0.22 0.35 -1.22 0.00 0.00 177.39 177.98 3i2g n THR 291 N -0.98 0.87 -0.73 -5.08 -2.24 -1.26 -1.32 114.28 103.53 3i2g n THR 291 Ca 0.42 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3i2g n THR 291 Cb 0.98 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3i2g n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2g n GLY 292 N 1.30 0.86 3.29 3.38 0.00 -1.26 -3.62 105.19 109.14 3i2g n GLY 292 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3i2g n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2g s ARG 293 N -0.27 3.12 0.20 1.61 0.52 -1.26 -0.32 118.95 122.54 3i2g s ARG 293 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 3i2g s ARG 293 Cb 0.00 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 3i2g s ARG 293 CO 0.00 0.22 0.06 -0.80 0.02 0.00 0.00 175.30 174.80 3i2g s ASN 294 N 0.27 0.88 0.26 0.23 0.01 -0.29 -4.99 114.94 111.30 3i2g s ASN 294 Ca -0.14 -1.28 -0.02 0.00 -0.71 0.00 0.00 52.86 50.71 3i2g s ASN 294 Cb -0.17 0.20 0.54 0.00 0.41 0.00 0.00 41.25 42.24 3i2g s ASN 294 CO 0.07 -0.69 1.70 0.00 -1.51 0.00 0.00 177.10 176.67 3i2g h ALA 295 N 2.62 1.13 0.00 0.60 0.00 -1.93 -3.07 119.26 118.61 3i2g h ALA 295 Ca -0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i2g h ALA 295 Cb 1.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i2g h ALA 295 CO 0.60 -0.30 -0.02 -0.25 0.00 0.00 0.00 179.25 179.28 3i2g n ASP 296 N -5.08 1.75 -3.63 0.00 8.00 -1.26 -4.99 116.55 111.33 3i2g n ASP 296 Ca 0.17 -2.09 -0.06 0.00 0.71 0.00 0.00 54.79 53.51 3i2g n ASP 296 Cb 0.51 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.44 3i2g n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2g s ARG 297 N -1.21 0.39 -0.16 -1.24 6.06 -1.16 -4.95 118.95 116.67 3i2g s ARG 297 Ca 0.06 1.11 -0.03 0.00 -2.50 0.00 0.00 55.73 54.38 3i2g s ARG 297 Cb 0.06 0.43 -0.02 0.00 0.06 0.00 0.00 34.95 35.48 3i2g s ARG 297 CO 0.01 -0.26 -0.07 0.15 -2.50 0.00 0.00 175.30 172.62 3i2g s LYS 298 N 2.68 3.51 0.00 5.12 3.01 -1.26 -1.14 119.74 131.66 3i2g s LYS 298 Ca -0.02 -0.60 0.24 0.00 -1.01 0.00 0.00 55.97 54.59 3i2g s LYS 298 Cb -0.12 -2.85 0.31 0.00 -1.01 0.00 0.00 37.83 34.16 3i2g s LYS 298 CO -0.14 0.13 1.28 1.19 0.51 0.00 0.00 175.35 178.32 3i2g n PHE 299 N 3.83 0.00 0.00 3.18 3.72 0.57 -5.03 117.46 123.73 3i2g n PHE 299 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3i2g n PHE 299 Cb 0.52 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3i2g n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2g n GLY 300 N 1.39 1.17 0.30 1.37 0.00 -1.26 -4.43 105.19 103.73 3i2g n GLY 300 Ca 0.10 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.51 3i2g n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2g h ILE 301 N 0.00 0.58 0.00 -0.61 2.10 -1.94 -1.45 117.51 116.19 3i2g h ILE 301 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 3i2g h ILE 301 Cb 0.00 0.96 -0.01 0.00 -1.09 0.00 0.00 36.82 36.69 3i2g h ILE 301 CO 0.00 0.00 -0.24 0.00 -1.08 0.00 0.00 178.15 176.83 3i2g h ALA 302 N 1.95 1.12 0.00 0.18 0.00 -1.95 -2.82 119.26 117.74 3i2g h ALA 302 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3i2g h ALA 302 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i2g h ALA 302 CO -0.00 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 179.28 3i2g h ALA 303 N 1.76 1.05 -2.23 0.00 0.00 -1.47 -3.46 119.26 114.92 3i2g h ALA 303 Ca -0.00 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 3i2g h ALA 303 Cb 0.65 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 18.47 3i2g h ALA 303 CO 0.03 0.33 0.63 2.41 0.00 0.00 0.00 179.25 182.64 3i2g n THR 304 N -3.48 0.64 -1.44 0.00 -1.04 -1.07 -4.45 114.28 103.44 3i2g n THR 304 Ca -0.00 -0.16 -0.58 0.00 -2.04 0.00 0.00 64.05 61.27 3i2g n THR 304 Cb 0.43 -1.40 -0.10 0.00 -1.82 0.00 0.00 70.33 67.44 3i2g n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2g n TYR 305 N 2.31 1.50 -2.62 -1.42 9.36 -0.43 -4.75 117.16 121.11 3i2g n TYR 305 Ca 0.14 0.65 -0.43 0.00 3.32 0.00 0.00 57.90 61.58 3i2g n TYR 305 Cb 0.29 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 3i2g n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i2g n PRO 306 N 6.91 3.25 -0.27 2.98 -0.04 -1.26 -4.81 135.00 141.75 3i2g n PRO 306 Ca 0.44 -3.42 0.04 0.00 -0.04 0.00 0.00 63.50 60.52 3i2g n PRO 306 Cb 0.06 -3.31 0.26 0.00 -0.04 0.00 0.00 33.50 30.47 3i2g n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3i2g h ILE 307 N 5.05 1.07 -0.10 0.52 2.10 -1.89 -0.09 117.51 124.17 3i2g h ILE 307 Ca 0.41 -0.34 -0.11 0.00 1.08 0.00 0.00 64.86 65.91 3i2g h ILE 307 Cb 0.84 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3i2g h ILE 307 CO 1.43 0.18 -0.38 -0.61 -1.08 0.00 0.00 178.15 177.69 3i2g h GLN 308 N 0.98 0.43 -0.75 2.19 5.75 -1.94 -1.04 115.11 120.72 3i2g h GLN 308 Ca 0.37 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3i2g h GLN 308 Cb 0.19 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3i2g h GLN 308 CO -0.13 0.96 0.47 0.93 -2.65 0.00 0.00 178.83 178.42 3i2g h GLU 309 N -0.01 1.00 -0.78 1.69 5.08 -1.93 -1.05 114.58 118.58 3i2g h GLU 309 Ca -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3i2g h GLU 309 Cb 1.02 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3i2g h GLU 309 CO 0.08 0.68 0.32 0.00 -1.00 0.00 0.00 179.01 179.09 3i2g h ALA 310 N 1.50 1.01 -0.23 3.43 0.00 -0.92 -0.64 119.26 123.41 3i2g h ALA 310 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i2g h ALA 310 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3i2g h ALA 310 CO -0.06 0.62 0.10 1.15 0.00 0.00 0.00 179.25 181.07 3i2g h THR 311 N 1.12 1.16 -0.39 0.00 2.02 -0.40 -0.20 112.91 116.22 3i2g h THR 311 Ca 0.26 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i2g h THR 311 Cb 0.20 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3i2g h THR 311 CO -0.02 0.15 0.25 0.74 0.37 0.00 0.00 175.52 177.01 3i2g h THR 312 N 0.23 1.11 -0.33 3.16 2.02 -1.13 -0.25 112.91 117.72 3i2g h THR 312 Ca 0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3i2g h THR 312 Cb 0.15 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3i2g h THR 312 CO -0.01 0.11 0.18 -0.03 0.37 0.00 0.00 175.52 176.14 3i2g h MET 313 N 0.52 0.47 -0.96 6.66 -1.53 -0.97 -1.43 114.93 117.69 3i2g h MET 313 Ca 0.14 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.36 3i2g h MET 313 Cb -0.03 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 30.88 3i2g h MET 313 CO -0.03 0.40 0.63 0.45 0.14 0.00 0.00 176.91 178.51 3i2g h HIS 314 N 0.42 1.20 -0.58 1.39 3.86 -0.80 -0.88 115.15 119.75 3i2g h HIS 314 Ca 0.12 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 3i2g h HIS 314 Cb 0.07 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3i2g h HIS 314 CO -0.03 0.75 -0.04 -0.22 0.86 0.00 0.00 177.93 179.25 3i2g h LYS 315 N 1.29 1.06 -0.48 2.45 3.64 -0.72 -0.25 116.57 123.55 3i2g h LYS 315 Ca 0.35 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3i2g h LYS 315 Cb -0.14 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3i2g h LYS 315 CO -0.08 1.06 -0.11 0.00 -2.27 0.00 0.00 179.45 178.05 3i2g h ALA 316 N 0.96 0.66 -0.02 5.00 0.00 -1.02 0.55 119.26 125.39 3i2g h ALA 316 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3i2g h ALA 316 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3i2g h ALA 316 CO 0.04 0.56 -0.06 0.35 0.00 0.00 0.00 179.25 180.14 3i2g h PHE 317 N 0.77 -0.14 -0.16 0.00 3.57 -0.88 -0.09 116.94 120.02 3i2g h PHE 317 Ca 0.12 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3i2g h PHE 317 Cb 0.66 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3i2g h PHE 317 CO 0.05 -0.09 -0.33 0.74 -2.23 0.00 0.00 178.31 176.45 3i2g h PHE 318 N -0.09 0.37 -0.64 0.41 0.04 -0.97 -2.19 116.94 113.87 3i2g h PHE 318 Ca 0.03 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3i2g h PHE 318 Cb 0.13 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3i2g h PHE 318 CO -0.14 0.62 0.15 -0.44 -0.60 0.00 0.00 178.31 177.90 3i2g h ASP 319 N 0.28 0.95 -0.22 2.17 3.32 -0.40 0.27 116.42 122.79 3i2g h ASP 319 Ca 0.04 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3i2g h ASP 319 Cb 0.72 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3i2g h ASP 319 CO 0.05 0.92 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.34 3i2g h ARG 320 N 0.96 0.43 0.00 3.56 9.65 -0.83 -1.52 114.38 126.62 3i2g h ARG 320 Ca 0.20 -0.17 -0.28 0.00 -1.10 0.00 0.00 59.98 58.63 3i2g h ARG 320 Cb 0.34 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.85 3i2g h ARG 320 CO 0.00 0.68 -2.20 0.72 2.80 0.00 0.00 179.97 181.96 3i2g n HIS 321 N -4.58 0.13 -0.05 2.20 8.25 -0.84 -2.86 115.22 117.47 3i2g n HIS 321 Ca -0.04 0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3i2g n HIS 321 Cb 0.30 -0.92 -0.15 0.00 1.12 0.00 0.00 29.99 30.33 3i2g n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2g n LEU 322 N -2.69 0.13 -0.33 2.41 4.32 0.94 -4.48 117.00 117.31 3i2g n LEU 322 Ca -0.25 0.06 0.08 0.00 -0.02 0.00 0.00 56.01 55.88 3i2g n LEU 322 Cb 1.02 0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 43.07 3i2g n LEU 322 CO 0.44 0.28 0.23 0.54 -1.22 0.00 0.00 177.39 177.66 3i2g n ARG 323 N -2.60 1.71 -1.68 3.23 1.74 -1.08 -4.82 116.66 113.16 3i2g n ARG 323 Ca -0.19 -0.74 -0.18 0.00 -0.77 0.00 0.00 57.85 55.97 3i2g n ARG 323 Cb 0.91 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 31.02 3i2g n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2g n GLY 324 N 1.16 1.33 3.56 -0.13 0.00 -1.04 -4.94 105.19 105.12 3i2g n GLY 324 Ca 0.06 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3i2g n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2g s GLU 325 N -3.77 3.15 0.37 1.61 2.02 -0.60 -4.87 118.70 116.61 3i2g s GLU 325 Ca 0.00 -0.49 0.27 0.00 0.02 0.00 0.00 54.97 54.77 3i2g s GLU 325 Cb 0.00 -4.86 1.26 0.00 0.10 0.00 0.00 34.13 30.64 3i2g s GLU 325 CO 0.00 -2.50 1.82 1.79 0.02 0.00 0.00 175.26 176.40 3i2g h THR 326 N 6.70 0.00 -0.32 3.63 1.35 -1.87 -1.10 112.91 121.30 3i2g h THR 326 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3i2g h THR 326 Cb 1.04 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3i2g h THR 326 CO 1.32 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.06 3i2g n ASP 327 N -2.49 3.08 0.19 5.36 8.00 -1.26 -4.69 116.55 124.73 3i2g n ASP 327 Ca 0.00 -1.89 0.12 0.00 0.71 0.00 0.00 54.79 53.73 3i2g n ASP 327 Cb 0.17 -0.21 0.68 0.00 -0.02 0.00 0.00 41.12 41.75 3i2g n ASP 327 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2g h ALA 328 N 3.47 2.10 -0.57 2.24 0.00 -1.51 -1.60 119.26 123.40 3i2g h ALA 328 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i2g h ALA 328 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i2g h ALA 328 CO 0.00 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.33 3i2g n LEU 329 N -4.41 5.01 -4.68 0.00 4.77 -1.26 -4.79 117.00 111.63 3i2g n LEU 329 Ca 0.01 -2.68 -0.44 0.00 -0.03 0.00 0.00 56.01 52.86 3i2g n LEU 329 Cb 0.25 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3i2g n LEU 329 CO 0.34 0.73 1.08 0.00 -1.33 0.00 0.00 177.39 178.21 3i2g n ALA 330 N 0.74 1.43 -0.84 -1.18 0.00 -0.60 -2.12 120.51 117.94 3i2g n ALA 330 Ca 0.26 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3i2g n ALA 330 Cb 1.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3i2g n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2g n GLY 331 N 2.35 0.46 3.68 0.00 0.00 -1.26 -5.00 105.19 105.43 3i2g n GLY 331 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3i2g n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2g s VAL 332 N -2.30 5.06 0.67 1.61 1.01 -0.90 -5.06 120.40 120.50 3i2g s VAL 332 Ca 0.00 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 3i2g s VAL 332 Cb 0.00 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3i2g s VAL 332 CO 0.00 0.19 1.13 -2.16 0.00 0.00 0.00 175.10 174.26 3i2g s PRO 333 N 1.41 2.67 0.20 2.72 0.04 -1.26 -4.94 135.00 135.84 3i2g s PRO 333 Ca 0.30 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 3i2g s PRO 333 Cb -0.16 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.60 3i2g s PRO 333 CO 0.12 -1.37 1.65 -0.22 0.04 0.00 0.00 177.00 177.22 3i2g h LYS 334 N -0.01 0.94 -3.62 4.56 1.63 -1.88 -3.45 116.57 114.73 3i2g h LYS 334 Ca -0.47 -0.32 -0.26 0.00 -0.85 0.00 0.00 60.65 58.75 3i2g h LYS 334 Cb 1.26 -0.07 -0.31 0.00 -0.60 0.00 0.00 32.23 32.50 3i2g h LYS 334 CO 0.53 0.98 -0.72 0.08 -3.45 0.00 0.00 179.45 176.87 3i2g s VAL 335 N -4.87 -0.03 -0.11 2.00 1.01 -1.05 -1.48 120.40 115.86 3i2g s VAL 335 Ca -0.11 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3i2g s VAL 335 Cb 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 36.38 36.51 3i2g s VAL 335 CO 0.85 0.04 0.03 -0.60 0.00 0.00 0.00 175.10 175.42 3i2g s ARG 336 N 0.54 0.41 -0.01 2.72 3.52 0.70 -1.07 118.95 125.75 3i2g s ARG 336 Ca -0.04 -0.01 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 3i2g s ARG 336 Cb -0.06 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.98 3i2g s ARG 336 CO -0.02 -0.45 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.26 3i2g s LEU 337 N 2.01 2.12 -0.42 -0.88 1.43 -0.35 -1.10 118.68 121.48 3i2g s LEU 337 Ca 0.03 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 3i2g s LEU 337 Cb -0.14 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3i2g s LEU 337 CO -0.06 0.31 0.79 0.12 0.23 0.00 0.00 176.35 177.74 3i2g s PHE 338 N -0.65 3.03 -0.47 0.29 5.36 0.58 -0.64 117.98 125.47 3i2g s PHE 338 Ca 0.10 0.31 -0.24 0.00 -0.96 0.00 0.00 56.93 56.14 3i2g s PHE 338 Cb -0.10 -3.58 0.03 0.00 -0.34 0.00 0.00 43.02 39.03 3i2g s PHE 338 CO -0.00 -0.90 0.84 0.08 -1.46 0.00 0.00 175.22 173.77 3i2g s VAL 339 N 3.24 4.57 0.87 3.12 1.01 0.11 -4.73 120.40 128.59 3i2g s VAL 339 Ca 0.31 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 3i2g s VAL 339 Cb -0.12 -4.38 0.11 0.00 0.00 0.00 0.00 36.38 31.99 3i2g s VAL 339 CO 0.21 -0.81 1.09 -0.04 0.00 0.00 0.00 175.10 175.55 3i2g s MET 340 N 3.48 1.49 0.00 2.72 1.00 -0.11 -1.47 119.30 126.42 3i2g s MET 340 Ca 0.31 0.85 0.00 0.00 0.00 0.00 0.00 55.69 56.85 3i2g s MET 340 Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 34.83 32.88 3i2g s MET 340 CO 0.23 -2.09 0.00 0.41 0.00 0.00 0.00 175.02 173.57 3i2g n GLY 341 N -1.25 1.97 0.15 -0.03 0.00 -1.26 -0.52 105.19 104.23 3i2g n GLY 341 Ca 0.07 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3i2g n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2g h ILE 342 N 0.00 0.00 -6.29 -0.61 3.07 -1.78 -3.48 117.51 108.41 3i2g h ILE 342 Ca 0.00 -0.46 -0.45 0.00 1.55 0.00 0.00 64.86 65.49 3i2g h ILE 342 Cb 0.00 1.38 0.04 0.00 -0.27 0.00 0.00 36.82 37.96 3i2g h ILE 342 CO 0.00 0.00 -0.91 0.47 -1.05 0.00 0.00 178.15 176.66 3i2g n ASP 343 N -2.44 -3.04 -3.98 2.16 8.00 -0.54 -5.00 116.55 111.71 3i2g n ASP 343 Ca 0.04 -0.98 -0.13 0.00 0.71 0.00 0.00 54.79 54.43 3i2g n ASP 343 Cb 0.36 -3.38 -0.13 0.00 -0.02 0.00 0.00 41.12 37.96 3i2g n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2g s GLU 344 N -6.16 0.36 0.32 -1.24 2.02 -0.93 -4.94 118.70 108.13 3i2g s GLU 344 Ca 0.25 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.52 3i2g s GLU 344 Cb -0.09 -0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.86 3i2g s GLU 344 CO 0.86 0.04 1.15 -1.58 0.02 0.00 0.00 175.26 175.75 3i2g s TRP 345 N -0.81 3.36 -0.04 1.61 0.52 -1.26 -0.71 118.94 121.62 3i2g s TRP 345 Ca -0.06 1.61 -0.03 0.00 0.02 0.00 0.00 56.10 57.64 3i2g s TRP 345 Cb -0.06 -3.37 0.01 0.00 -1.15 0.00 0.00 33.47 28.90 3i2g s TRP 345 CO -0.00 -0.95 0.10 0.50 0.02 0.00 0.00 176.95 176.61 3i2g s ARG 346 N -1.74 0.11 0.29 4.98 3.52 0.18 -4.92 118.95 121.38 3i2g s ARG 346 Ca 0.48 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 56.10 3i2g s ARG 346 Cb -0.33 0.05 -0.08 0.00 -1.56 0.00 0.00 34.95 33.03 3i2g s ARG 346 CO 0.42 -0.02 0.66 -0.51 -0.81 0.00 0.00 175.30 175.04 3i2g s ASP 347 N 0.09 6.68 0.13 -2.12 1.01 -1.26 -1.21 116.67 119.99 3i2g s ASP 347 Ca -0.00 1.11 -0.08 0.00 0.71 0.00 0.00 52.55 54.28 3i2g s ASP 347 Cb -0.01 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3i2g s ASP 347 CO -0.00 -0.17 0.22 -1.61 0.21 0.00 0.00 175.17 173.82 3i2g s GLU 348 N -3.01 1.00 0.04 8.23 0.41 -0.24 -4.97 118.70 120.16 3i2g s GLU 348 Ca 0.51 -1.10 0.22 0.00 -0.41 0.00 0.00 54.97 54.19 3i2g s GLU 348 Cb -0.11 0.35 -0.05 0.00 -1.78 0.00 0.00 34.13 32.54 3i2g s GLU 348 CO 0.20 -0.34 0.92 0.25 -0.49 0.00 0.00 175.26 175.81 3i2g n THR 349 N -0.13 0.14 -3.45 3.63 -2.24 -1.26 -2.54 114.28 108.42 3i2g n THR 349 Ca -0.11 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 3i2g n THR 349 Cb 0.63 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 3i2g n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2g s ASP 350 N -3.94 -0.52 -0.06 3.42 -1.08 -1.26 -4.78 116.67 108.44 3i2g s ASP 350 Ca 0.02 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 3i2g s ASP 350 Cb 0.14 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 42.17 3i2g s ASP 350 CO 0.83 -0.86 -0.04 0.86 0.52 0.00 0.00 175.17 176.48 3i2g s TRP 351 N -3.46 0.87 0.71 -5.34 -0.11 -1.26 -3.53 118.94 106.82 3i2g s TRP 351 Ca 0.02 -0.29 -0.16 0.00 1.22 0.00 0.00 56.10 56.89 3i2g s TRP 351 Cb -0.01 -0.81 -0.02 0.00 -1.50 0.00 0.00 33.47 31.13 3i2g s TRP 351 CO -0.11 -0.28 0.71 -2.30 -4.62 0.00 0.00 176.95 170.35 3i2g n PRO 352 N 4.49 0.39 -1.90 5.86 -0.02 -1.26 -4.74 135.00 137.82 3i2g n PRO 352 Ca -0.18 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.08 3i2g n PRO 352 Cb 0.51 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3i2g n PRO 352 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2g s LEU 353 N -1.37 4.35 0.55 2.45 1.02 -1.23 -4.89 118.68 119.55 3i2g s LEU 353 Ca 0.69 2.93 0.23 0.00 0.02 0.00 0.00 54.13 58.00 3i2g s LEU 353 Cb -0.35 -3.67 1.54 0.00 0.02 0.00 0.00 46.19 43.73 3i2g s LEU 353 CO 0.55 -0.78 2.19 -0.65 0.02 0.00 0.00 176.35 177.68 3i2g h PRO 354 N 3.09 0.00 -0.51 1.29 0.11 -1.99 -2.92 132.00 131.08 3i2g h PRO 354 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2g h PRO 354 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i2g h PRO 354 CO 0.64 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.20 3i2g n ASP 355 N -4.15 4.99 -4.70 -2.05 9.92 -1.26 -5.00 116.55 114.30 3i2g n ASP 355 Ca -0.03 -2.81 -0.42 0.00 -0.53 0.00 0.00 54.79 51.00 3i2g n ASP 355 Cb 0.10 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 39.94 3i2g n ASP 355 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3i2g s THR 356 N -2.51 3.20 -0.50 -3.53 2.01 -1.11 -4.76 115.64 108.44 3i2g s THR 356 Ca 0.50 0.73 -0.12 0.00 0.31 0.00 0.00 61.69 63.11 3i2g s THR 356 Cb 0.37 -3.47 0.12 0.00 0.01 0.00 0.00 72.50 69.53 3i2g s THR 356 CO 0.16 0.02 0.40 0.00 -0.69 0.00 0.00 174.62 174.51 3i2g s ALA 357 N 2.04 3.48 -0.55 7.40 0.00 0.06 -4.93 121.76 129.27 3i2g s ALA 357 Ca 0.69 -2.54 -0.27 0.00 0.00 0.00 0.00 51.96 49.84 3i2g s ALA 357 Cb -0.38 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3i2g s ALA 357 CO 0.30 -1.95 1.96 0.71 0.00 0.00 0.00 175.76 176.79 3i2g s TYR 358 N 1.45 1.56 -0.17 0.00 2.02 -1.26 -1.31 117.35 119.64 3i2g s TYR 358 Ca 0.05 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.67 3i2g s TYR 358 Cb -0.28 -4.00 0.01 0.00 -0.40 0.00 0.00 41.96 37.30 3i2g s TYR 358 CO 0.01 -2.44 -0.20 0.99 -1.57 0.00 0.00 175.55 172.34 3i2g s THR 359 N 9.41 2.14 0.19 -0.71 2.01 0.83 -4.85 115.64 124.66 3i2g s THR 359 Ca 0.75 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3i2g s THR 359 Cb -0.15 -1.89 -0.09 0.00 0.01 0.00 0.00 72.50 70.39 3i2g s THR 359 CO 0.23 0.54 1.37 -2.84 -0.69 0.00 0.00 174.62 173.23 3i2g s PRO 360 N 1.13 4.33 -0.22 4.92 0.02 -1.26 -1.13 135.00 142.78 3i2g s PRO 360 Ca 0.01 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3i2g s PRO 360 Cb -0.14 -3.18 0.04 0.00 0.02 0.00 0.00 34.50 31.23 3i2g s PRO 360 CO -0.09 -0.35 -0.14 -0.06 -0.33 0.00 0.00 177.00 176.03 3i2g s PHE 361 N 0.35 3.02 0.04 6.54 0.40 0.13 -4.43 117.98 124.02 3i2g s PHE 361 Ca 0.60 -1.88 -0.19 0.00 -0.60 0.00 0.00 56.93 54.87 3i2g s PHE 361 Cb -0.38 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 3i2g s PHE 361 CO 0.37 -0.82 0.54 0.71 0.70 0.00 0.00 175.22 176.73 3i2g s TYR 362 N 1.23 3.76 0.23 0.36 2.02 0.16 -1.44 117.35 123.68 3i2g s TYR 362 Ca -0.01 1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 57.59 3i2g s TYR 362 Cb -0.16 -2.48 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 3i2g s TYR 362 CO -0.08 0.55 1.16 -0.51 -1.57 0.00 0.00 175.55 175.09 3i2g s LEU 363 N -0.89 4.49 0.00 -1.29 1.43 -0.78 -1.89 118.68 119.75 3i2g s LEU 363 Ca 0.28 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3i2g s LEU 363 Cb -0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3i2g s LEU 363 CO 0.17 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3i2g n GLY 364 N 1.66 2.75 0.00 -3.19 0.00 -0.54 -4.57 105.19 101.30 3i2g n GLY 364 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i2g n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 365 N 0.00 3.37 3.79 -0.02 0.00 -1.26 -0.98 105.19 110.10 3i2g n GLY 365 Ca 0.00 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 3i2g n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2g s SER 366 N 0.00 7.24 0.44 1.61 0.01 -1.24 -4.87 113.70 116.88 3i2g s SER 366 Ca 0.00 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.03 3i2g s SER 366 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3i2g s SER 366 CO 0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3i2g n GLY 367 N 0.34 0.47 3.19 3.44 0.00 -1.26 -4.03 105.19 107.33 3i2g n GLY 367 Ca 0.03 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 3i2g n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2g s ALA 368 N -2.00 1.43 -2.39 4.61 0.00 -1.26 -4.94 121.76 117.21 3i2g s ALA 368 Ca 0.00 -0.91 0.28 0.00 0.00 0.00 0.00 51.96 51.33 3i2g s ALA 368 Cb 0.00 -0.26 1.04 0.00 0.00 0.00 0.00 23.12 23.90 3i2g s ALA 368 CO 0.00 0.30 1.74 0.00 0.00 0.00 0.00 175.76 177.80 3i2g n ALA 369 N 1.93 2.64 -1.67 0.00 0.00 -1.26 -1.65 120.51 120.50 3i2g n ALA 369 Ca -0.17 -0.43 -0.47 0.00 0.00 0.00 0.00 53.44 52.36 3i2g n ALA 369 Cb 0.54 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 3i2g n ALA 369 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i2g n ASN 370 N 0.04 3.05 -0.67 0.00 4.13 -1.26 -1.43 115.26 119.11 3i2g n ASN 370 Ca 0.18 1.06 0.09 0.00 1.68 0.00 0.00 54.58 57.59 3i2g n ASN 370 Cb 0.35 -1.39 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 3i2g n ASN 370 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3i2g n THR 371 N 3.79 -0.07 0.59 3.41 -2.24 -0.40 -3.39 114.28 115.97 3i2g n THR 371 Ca 0.19 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 3i2g n THR 371 Cb 0.28 -0.49 0.45 0.00 -2.10 0.00 0.00 70.33 68.48 3i2g n THR 371 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i2g n SER 372 N -3.31 0.56 -1.43 3.42 3.41 0.14 -2.57 113.62 113.84 3i2g n SER 372 Ca -0.02 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3i2g n SER 372 Cb 0.31 -0.72 0.33 0.00 -0.26 0.00 0.00 64.21 63.87 3i2g n SER 372 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i2g n THR 373 N -2.06 1.32 -1.19 6.66 -2.24 -1.26 -4.95 114.28 110.56 3i2g n THR 373 Ca 0.04 -1.08 -0.17 0.00 -2.27 0.00 0.00 64.05 60.57 3i2g n THR 373 Cb 0.32 0.36 0.13 0.00 -2.10 0.00 0.00 70.33 69.04 3i2g n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2g n GLY 374 N 1.42 -1.96 1.96 3.38 0.00 -1.06 -4.98 105.19 103.94 3i2g n GLY 374 Ca 0.25 -1.59 -0.00 0.00 0.00 0.00 0.00 46.02 44.67 3i2g n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 375 N -0.85 3.40 3.72 -0.02 0.00 -0.66 -4.96 105.19 105.82 3i2g n GLY 375 Ca 0.09 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3i2g n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2g s GLY 376 N -0.94 1.66 0.25 -0.02 0.00 -1.24 -3.72 107.32 103.30 3i2g s GLY 376 Ca 0.55 1.34 0.10 0.00 0.00 0.00 0.00 44.72 46.72 3i2g s GLY 376 CO 0.15 2.58 -0.18 -0.51 0.00 0.00 0.00 173.10 175.13 3i2g s THR 377 N 1.07 2.20 -0.04 0.90 -4.23 -0.15 -1.96 115.64 113.42 3i2g s THR 377 Ca 0.69 -2.33 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3i2g s THR 377 Cb -0.43 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3i2g s THR 377 CO 0.32 -0.47 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.92 3i2g s LEU 378 N -3.42 2.07 -0.12 4.79 1.43 0.98 -1.47 118.68 122.93 3i2g s LEU 378 Ca 0.27 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3i2g s LEU 378 Cb -0.03 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.87 3i2g s LEU 378 CO 0.12 0.28 0.50 -0.55 0.23 0.00 0.00 176.35 176.93 3i2g s SER 379 N -0.38 -0.48 0.08 2.29 0.15 -0.79 -4.15 113.70 110.41 3i2g s SER 379 Ca 0.03 0.75 0.14 0.00 0.70 0.00 0.00 55.95 57.57 3i2g s SER 379 Cb -0.12 0.77 0.63 0.00 -1.71 0.00 0.00 66.02 65.59 3i2g s SER 379 CO 0.01 -0.33 1.45 0.35 1.20 0.00 0.00 173.24 175.92 3i2g n THR 380 N 2.05 1.14 -3.59 6.45 -2.24 -1.26 0.36 114.28 117.19 3i2g n THR 380 Ca -0.17 0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.56 3i2g n THR 380 Cb 0.56 -1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 3i2g n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2g s SER 381 N -3.34 6.66 0.24 3.42 0.01 -1.26 -4.84 113.70 114.59 3i2g s SER 381 Ca 0.05 0.78 -0.31 0.00 1.31 0.00 0.00 55.95 57.78 3i2g s SER 381 Cb 0.08 -2.20 -0.14 0.00 0.21 0.00 0.00 66.02 63.96 3i2g s SER 381 CO 0.24 0.30 1.23 -0.38 0.41 0.00 0.00 173.24 175.05 3i2g n ILE 382 N 2.16 1.25 -1.99 1.44 5.41 -1.26 -4.61 119.36 121.76 3i2g n ILE 382 Ca -0.15 -0.31 -0.41 0.00 1.00 0.00 0.00 62.75 62.88 3i2g n ILE 382 Cb 0.53 -1.18 -0.01 0.00 -0.71 0.00 0.00 39.64 38.27 3i2g n ILE 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i2g s SER 383 N -0.04 6.60 0.15 4.38 0.15 -1.26 -4.96 113.70 118.72 3i2g s SER 383 Ca 0.67 2.83 0.04 0.00 0.70 0.00 0.00 55.95 60.19 3i2g s SER 383 Cb -0.72 -2.66 -0.06 0.00 -1.71 0.00 0.00 66.02 60.87 3i2g s SER 383 CO 0.54 -0.67 1.35 1.23 1.20 0.00 0.00 173.24 176.88 3i2g h GLY 384 N 3.26 0.13 -5.23 9.45 0.00 -1.92 -2.90 103.07 105.85 3i2g h GLY 384 Ca -0.50 -0.26 -0.62 0.00 0.00 0.00 0.00 47.33 45.96 3i2g h GLY 384 CO 0.65 0.23 -0.86 -0.51 0.00 0.00 0.00 176.54 176.05 3i2g s THR 385 N -3.03 1.69 -0.14 4.70 -4.23 -1.26 -4.56 115.64 108.81 3i2g s THR 385 Ca -0.01 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 3i2g s THR 385 Cb 0.10 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 3i2g s THR 385 CO 0.82 0.48 1.78 -1.61 -0.54 0.00 0.00 174.62 175.55 3i2g s GLU 386 N 0.08 3.83 0.26 3.99 0.41 -1.26 -4.43 118.70 121.58 3i2g s GLU 386 Ca -0.07 1.99 0.02 0.00 -0.41 0.00 0.00 54.97 56.50 3i2g s GLU 386 Cb -0.14 -4.10 -0.04 0.00 -1.78 0.00 0.00 34.13 28.08 3i2g s GLU 386 CO 0.04 -1.27 0.17 0.45 -0.49 0.00 0.00 175.26 174.16 3i2g s SER 387 N 4.72 0.98 -0.14 -0.19 0.15 0.47 -5.01 113.70 114.68 3i2g s SER 387 Ca 0.79 -1.53 -0.10 0.00 0.70 0.00 0.00 55.95 55.82 3i2g s SER 387 Cb -0.31 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 3i2g s SER 387 CO 0.32 -0.90 0.35 0.00 1.20 0.00 0.00 173.24 174.21 3i2g s ALA 388 N -3.81 -0.86 -0.12 5.45 0.00 -1.26 -1.34 121.76 119.83 3i2g s ALA 388 Ca 0.38 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 3i2g s ALA 388 Cb 0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3i2g s ALA 388 CO 0.17 -0.21 0.11 -0.51 0.00 0.00 0.00 175.76 175.33 3i2g s ASP 389 N 0.85 6.16 -0.01 0.00 1.01 -0.01 -4.94 116.67 119.73 3i2g s ASP 389 Ca -0.05 0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.63 3i2g s ASP 389 Cb -0.06 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 3i2g s ASP 389 CO -0.06 0.39 -0.08 -0.89 0.21 0.00 0.00 175.17 174.74 3i2g s THR 390 N -0.95 0.66 0.16 -1.27 2.01 -1.26 -0.58 115.64 114.41 3i2g s THR 390 Ca 0.14 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 3i2g s THR 390 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.85 3i2g s THR 390 CO 0.03 0.19 0.39 -0.72 -0.69 0.00 0.00 174.62 173.83 3i2g s TYR 391 N -0.16 0.02 -0.23 4.92 -0.85 -0.55 -4.95 117.35 115.54 3i2g s TYR 391 Ca 0.03 -0.37 -0.14 0.00 -0.52 0.00 0.00 57.07 56.07 3i2g s TYR 391 Cb -0.04 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 3i2g s TYR 391 CO -0.00 -0.77 0.31 -1.17 -1.52 0.00 0.00 175.55 172.40 3i2g s LEU 392 N -2.88 4.12 -0.29 -3.49 2.96 -1.26 -0.66 118.68 117.19 3i2g s LEU 392 Ca 0.09 0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3i2g s LEU 392 Cb 0.02 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 3i2g s LEU 392 CO -0.05 -0.05 0.17 -0.47 -1.32 0.00 0.00 176.35 174.63 3i2g s TYR 393 N 1.35 3.19 -0.31 5.38 5.04 0.15 -4.70 117.35 127.45 3i2g s TYR 393 Ca 0.14 -0.13 -0.03 0.00 -2.44 0.00 0.00 57.07 54.62 3i2g s TYR 393 Cb -0.15 -2.37 0.05 0.00 0.35 0.00 0.00 41.96 39.84 3i2g s TYR 393 CO 0.07 -0.27 0.02 0.34 -1.34 0.00 0.00 175.55 174.37 3i2g s ASP 394 N 1.71 4.96 0.57 4.32 -1.08 -1.26 -0.78 116.67 125.11 3i2g s ASP 394 Ca 0.06 -1.22 0.30 0.00 -0.52 0.00 0.00 52.55 51.17 3i2g s ASP 394 Cb -0.16 -1.74 1.46 0.00 -1.46 0.00 0.00 42.92 41.01 3i2g s ASP 394 CO 0.09 -0.27 1.87 -0.65 0.52 0.00 0.00 175.17 176.74 3i2g h PRO 395 N 8.05 0.00 0.00 4.34 0.11 -1.83 0.52 132.00 143.19 3i2g h PRO 395 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3i2g h PRO 395 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i2g h PRO 395 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3i2g h ALA 396 N 1.46 1.00 -2.50 -0.75 0.00 -1.94 -3.33 119.26 113.20 3i2g h ALA 396 Ca 0.29 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.61 3i2g h ALA 396 Cb 1.41 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.80 3i2g h ALA 396 CO -0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.01 3i2g n ASP 397 N -2.66 1.93 -4.86 0.00 2.03 0.18 -5.11 116.55 108.06 3i2g n ASP 397 Ca 0.04 -2.99 -0.31 0.00 0.52 0.00 0.00 54.79 52.04 3i2g n ASP 397 Cb 0.41 -0.67 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 3i2g n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2g s PRO 398 N -1.34 3.73 -0.03 -0.67 0.04 -1.22 -4.49 135.00 131.01 3i2g s PRO 398 Ca 0.32 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 3i2g s PRO 398 Cb 0.06 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 3i2g s PRO 398 CO -0.13 -0.46 1.77 0.08 0.04 0.00 0.00 177.00 178.30 3i2g s VAL 399 N -2.96 3.38 0.50 -0.36 1.01 -1.26 -4.89 120.40 115.82 3i2g s VAL 399 Ca 0.57 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 3i2g s VAL 399 Cb -0.11 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 3i2g s VAL 399 CO 0.45 -0.05 1.27 -2.16 0.00 0.00 0.00 175.10 174.61 3i2g s PRO 400 N 4.25 3.49 0.15 2.72 0.04 -1.26 -0.99 135.00 143.39 3i2g s PRO 400 Ca 0.79 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.56 3i2g s PRO 400 Cb -0.36 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 3i2g s PRO 400 CO 0.34 -0.85 1.16 -1.12 0.04 0.00 0.00 177.00 176.57 3i2g s SER 401 N -1.11 7.16 -0.23 6.66 0.01 0.12 -4.67 113.70 121.64 3i2g s SER 401 Ca 0.67 2.12 -0.04 0.00 1.31 0.00 0.00 55.95 60.02 3i2g s SER 401 Cb -0.35 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.36 3i2g s SER 401 CO 0.42 -0.33 0.09 -0.76 0.41 0.00 0.00 173.24 173.07 3i2g s LEU 402 N -0.01 0.88 0.00 2.44 1.43 -1.26 -4.91 118.68 117.24 3i2g s LEU 402 Ca 0.53 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3i2g s LEU 402 Cb -0.31 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.46 3i2g s LEU 402 CO 0.34 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3i2g n GLY 403 N 5.15 2.64 7.00 -3.19 0.00 -1.25 -4.58 105.19 110.96 3i2g n GLY 403 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i2g n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 404 N 0.00 3.04 1.94 -0.02 0.00 0.59 -3.44 105.19 107.29 3i2g n GLY 404 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3i2g n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2g n THR 405 N 0.00 2.97 -1.57 2.61 -2.24 -1.26 -4.45 114.28 110.33 3i2g n THR 405 Ca 0.00 -1.88 -0.44 0.00 -2.27 0.00 0.00 64.05 59.47 3i2g n THR 405 Cb 0.00 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.83 3i2g n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2g n LEU 406 N -0.63 1.64 -0.10 3.22 4.77 -1.22 -3.62 117.00 121.05 3i2g n LEU 406 Ca 0.46 1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 57.35 3i2g n LEU 406 Cb 1.43 -1.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3i2g n LEU 406 CO 0.46 -1.66 -1.10 0.18 -1.33 0.00 0.00 177.39 173.93 3i2g n LEU 407 N 1.09 1.69 -0.01 2.23 4.77 -1.26 -4.51 117.00 121.00 3i2g n LEU 407 Ca 0.10 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 3i2g n LEU 407 Cb 0.34 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 3i2g n LEU 407 CO 0.58 0.26 -0.55 0.49 -1.33 0.00 0.00 177.39 176.84 3i2g n PHE 408 N -4.12 0.00 -2.96 -1.77 3.72 -1.26 -4.31 117.46 106.76 3i2g n PHE 408 Ca -0.37 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.60 3i2g n PHE 408 Cb 0.72 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 39.13 3i2g n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2g s HIS 409 N -2.05 2.95 -1.17 1.38 2.46 -1.26 -4.31 115.29 113.30 3i2g s HIS 409 Ca -0.01 0.04 -0.23 0.00 0.47 0.00 0.00 55.06 55.33 3i2g s HIS 409 Cb 0.01 -3.73 0.03 0.00 -0.13 0.00 0.00 32.58 28.76 3i2g s HIS 409 CO 0.07 -1.07 0.43 0.09 -2.47 0.00 0.00 174.74 171.79 3i2g n ASN 410 N 6.81 -2.35 -0.59 9.88 3.02 -1.26 -4.86 115.26 125.91 3i2g n ASN 410 Ca 0.01 -1.16 0.02 0.00 -0.03 0.00 0.00 54.58 53.41 3i2g n ASN 410 Cb 0.48 -1.41 0.07 0.00 -0.61 0.00 0.00 39.78 38.31 3i2g n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2g n GLY 411 N -2.11 1.04 0.64 7.41 0.00 -1.26 -4.03 105.19 106.87 3i2g n GLY 411 Ca -0.15 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3i2g n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2g n ASP 412 N 0.05 2.99 -2.75 1.61 5.75 -1.26 -4.23 116.55 118.71 3i2g n ASP 412 Ca 0.05 -3.23 -0.10 0.00 -0.01 0.00 0.00 54.79 51.50 3i2g n ASP 412 Cb 0.32 -0.52 0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3i2g n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2g n ASN 413 N -0.97 0.58 -0.25 -1.12 5.15 -1.26 -4.74 115.26 112.66 3i2g n ASN 413 Ca 0.21 -2.75 -0.10 0.00 -0.60 0.00 0.00 54.58 51.35 3i2g n ASN 413 Cb 0.82 -0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.83 3i2g n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2g h GLY 414 N 2.82 -1.21 -5.52 8.20 0.00 -1.83 -2.74 103.07 102.79 3i2g h GLY 414 Ca -0.10 0.82 -0.67 0.00 0.00 0.00 0.00 47.33 47.38 3i2g h GLY 414 CO 0.38 -0.19 3.41 -1.55 0.00 0.00 0.00 176.54 178.58 3i2g n PRO 415 N -4.83 3.14 -2.73 4.80 -0.04 -1.26 -0.30 135.00 133.78 3i2g n PRO 415 Ca -0.00 -2.30 -0.37 0.00 -0.04 0.00 0.00 63.50 60.79 3i2g n PRO 415 Cb 0.23 -2.99 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 3i2g n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2g s ALA 416 N 2.82 3.21 0.06 0.55 0.00 -1.03 -4.56 121.76 122.81 3i2g s ALA 416 Ca 0.58 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 3i2g s ALA 416 Cb 0.16 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 3i2g s ALA 416 CO -0.06 0.10 1.55 0.34 0.00 0.00 0.00 175.76 177.69 3i2g s ASP 417 N -1.56 6.69 0.00 0.00 2.15 -1.26 -1.78 116.67 120.92 3i2g s ASP 417 Ca 0.51 2.38 0.27 0.00 0.43 0.00 0.00 52.55 56.14 3i2g s ASP 417 Cb -0.20 -2.57 0.92 0.00 -0.30 0.00 0.00 42.92 40.77 3i2g s ASP 417 CO 0.25 -0.81 1.67 0.00 -0.17 0.00 0.00 175.17 176.11 3i2g n GLN 418 N 5.25 0.87 -0.32 4.34 1.13 0.17 -4.46 117.38 124.35 3i2g n GLN 418 Ca 0.15 -0.46 0.13 0.00 -1.94 0.00 0.00 57.00 54.88 3i2g n GLN 418 Cb 0.41 -1.49 0.32 0.00 0.11 0.00 0.00 30.24 29.59 3i2g n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2g h ARG 419 N 1.12 0.54 0.00 -1.09 3.08 -1.91 -1.87 114.38 114.25 3i2g h ARG 419 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i2g h ARG 419 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i2g h ARG 419 CO 0.00 0.36 0.23 -1.35 -1.07 0.00 0.00 179.97 178.14 3i2g h PRO 420 N 0.56 0.00 0.00 0.04 0.11 -1.99 -3.27 132.00 127.45 3i2g h PRO 420 Ca 0.57 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.64 3i2g h PRO 420 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3i2g h PRO 420 CO -0.46 0.00 -1.14 0.44 -0.21 0.00 0.00 178.00 176.63 3i2g n ILE 421 N -2.80 0.14 0.29 4.15 -6.64 -0.73 -4.64 119.36 109.14 3i2g n ILE 421 Ca -0.02 -0.08 0.00 0.00 -1.77 0.00 0.00 62.75 60.88 3i2g n ILE 421 Cb 0.28 -0.89 0.00 0.00 -1.44 0.00 0.00 39.64 37.60 3i2g n ILE 421 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i2g n HIS 422 N -2.16 0.00 0.43 4.28 1.44 -1.08 0.13 115.22 118.26 3i2g n HIS 422 Ca -0.04 -0.02 0.06 0.00 -2.01 0.00 0.00 57.72 55.71 3i2g n HIS 422 Cb 0.56 -0.05 0.06 0.00 0.12 0.00 0.00 29.99 30.69 3i2g n HIS 422 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3i2g n ASP 423 N 0.43 2.10 -4.74 4.39 5.75 -1.26 -0.69 116.55 122.52 3i2g n ASP 423 Ca 0.00 -1.55 -0.40 0.00 -0.01 0.00 0.00 54.79 52.83 3i2g n ASP 423 Cb 0.08 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 3i2g n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2g s ARG 424 N -1.00 4.60 0.62 0.11 0.52 0.12 -4.90 118.95 119.02 3i2g s ARG 424 Ca 0.15 1.24 0.31 0.00 -0.52 0.00 0.00 55.73 56.91 3i2g s ARG 424 Cb 0.10 -3.35 1.70 0.00 0.52 0.00 0.00 34.95 33.93 3i2g s ARG 424 CO 0.15 0.32 2.03 0.22 0.02 0.00 0.00 175.30 178.04 3i2g h ASP 425 N 5.32 0.00 -0.34 0.23 3.58 -1.93 0.15 116.42 123.43 3i2g h ASP 425 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3i2g h ASP 425 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3i2g h ASP 425 CO 0.70 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.16 3i2g n ASP 426 N -3.39 2.06 -4.20 2.28 5.75 -1.26 -4.55 116.55 113.23 3i2g n ASP 426 Ca 0.01 -1.92 -0.39 0.00 -0.01 0.00 0.00 54.79 52.48 3i2g n ASP 426 Cb 0.39 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.15 3i2g n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2g s VAL 427 N -1.55 3.86 -0.03 2.12 1.01 0.04 -4.38 120.40 121.47 3i2g s VAL 427 Ca 0.29 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 3i2g s VAL 427 Cb 0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3i2g s VAL 427 CO 0.21 -0.64 0.66 -0.76 0.00 0.00 0.00 175.10 174.57 3i2g s LEU 428 N 1.30 4.37 -0.11 3.92 1.43 0.15 -1.27 118.68 128.48 3i2g s LEU 428 Ca 0.05 1.20 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 3i2g s LEU 428 Cb -0.24 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3i2g s LEU 428 CO -0.01 -0.01 -0.22 0.00 0.23 0.00 0.00 176.35 176.34 3i2g s TYR 430 N 0.52 1.22 0.09 0.00 1.51 -0.63 -3.73 117.35 116.32 3i2g s TYR 430 Ca -0.15 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.52 3i2g s TYR 430 Cb -0.17 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3i2g s TYR 430 CO 0.05 -0.28 -0.16 -1.12 -1.11 0.00 0.00 175.55 172.93 3i2g s SER 431 N 0.90 2.01 0.79 2.29 0.01 -0.83 -1.03 113.70 117.84 3i2g s SER 431 Ca -0.11 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 56.37 3i2g s SER 431 Cb -0.15 -0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.07 3i2g s SER 431 CO 0.01 -0.04 1.15 0.42 0.41 0.00 0.00 173.24 175.19 3i2g s THR 432 N -1.35 2.11 1.02 1.44 -4.23 -0.32 -0.02 115.64 114.29 3i2g s THR 432 Ca 0.02 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 3i2g s THR 432 Cb -0.09 -3.03 0.20 0.00 1.34 0.00 0.00 72.50 70.92 3i2g s THR 432 CO 0.03 -0.03 1.08 -1.61 -0.54 0.00 0.00 174.62 173.55 3i2g s GLU 433 N -5.53 0.25 0.22 3.99 2.02 -1.26 -4.71 118.70 113.69 3i2g s GLU 433 Ca 0.62 0.97 -0.32 0.00 0.02 0.00 0.00 54.97 56.26 3i2g s GLU 433 Cb -0.11 -1.68 -0.12 0.00 0.10 0.00 0.00 34.13 32.32 3i2g s GLU 433 CO 0.49 -2.97 1.70 0.08 0.02 0.00 0.00 175.26 174.58 3i2g s VAL 434 N -2.68 2.03 0.21 2.63 1.01 -1.26 -4.67 120.40 117.67 3i2g s VAL 434 Ca 0.66 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 3i2g s VAL 434 Cb -0.22 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 3i2g s VAL 434 CO 0.60 0.00 0.93 -0.76 0.00 0.00 0.00 175.10 175.88 3i2g s LEU 435 N 0.85 4.62 -0.01 3.92 1.43 -0.29 -4.87 118.68 124.32 3i2g s LEU 435 Ca 0.73 1.90 0.17 0.00 -1.03 0.00 0.00 54.13 55.89 3i2g s LEU 435 Cb -0.49 -3.58 -0.23 0.00 0.03 0.00 0.00 46.19 41.92 3i2g s LEU 435 CO 0.35 0.12 0.52 0.35 0.23 0.00 0.00 176.35 177.92 3i2g n THR 436 N 1.74 0.00 -4.46 5.49 -2.24 -1.26 -0.04 114.28 113.50 3i2g n THR 436 Ca -0.01 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 3i2g n THR 436 Cb 0.48 0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 3i2g n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2g s ASP 437 N -3.33 3.20 0.44 3.42 1.01 -1.26 -4.76 116.67 115.40 3i2g s ASP 437 Ca -0.01 -0.72 -0.24 0.00 0.71 0.00 0.00 52.55 52.30 3i2g s ASP 437 Cb 0.12 -0.22 -0.08 0.00 1.01 0.00 0.00 42.92 43.75 3i2g s ASP 437 CO 0.69 0.18 1.19 -2.16 0.21 0.00 0.00 175.17 175.28 3i2g s PRO 438 N -1.90 3.83 -0.23 8.23 0.04 -1.26 -4.48 135.00 139.22 3i2g s PRO 438 Ca 0.13 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.05 3i2g s PRO 438 Cb -0.10 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.98 3i2g s PRO 438 CO 0.05 -0.52 -0.08 0.08 0.04 0.00 0.00 177.00 176.57 3i2g s VAL 439 N -1.46 1.70 -0.14 -0.36 1.01 -0.46 -4.96 120.40 115.74 3i2g s VAL 439 Ca 0.61 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3i2g s VAL 439 Cb -0.31 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3i2g s VAL 439 CO 0.38 -0.02 0.53 -0.70 0.00 0.00 0.00 175.10 175.29 3i2g s GLU 440 N 1.33 4.31 -0.31 2.72 2.12 -1.25 -0.34 118.70 127.28 3i2g s GLU 440 Ca -0.06 0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.82 3i2g s GLU 440 Cb -0.19 -3.48 0.08 0.00 0.26 0.00 0.00 34.13 30.80 3i2g s GLU 440 CO -0.06 0.04 -0.01 0.08 -0.54 0.00 0.00 175.26 174.76 3i2g s VAL 441 N 0.99 2.39 -0.19 3.70 1.01 0.80 -0.50 120.40 128.62 3i2g s VAL 441 Ca 0.27 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.31 3i2g s VAL 441 Cb -0.16 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.73 3i2g s VAL 441 CO 0.11 -0.30 0.08 -0.89 0.00 0.00 0.00 175.10 174.11 3i2g s THR 442 N 1.05 0.03 -5.00 3.92 2.01 -0.56 -0.68 115.64 116.41 3i2g s THR 442 Ca 0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3i2g s THR 442 Cb -0.20 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.62 3i2g s THR 442 CO -0.06 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 3i2g n GLY 443 N 5.23 -0.44 3.77 4.40 0.00 -0.44 -4.69 105.19 113.03 3i2g n GLY 443 Ca -0.07 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3i2g n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2g s THR 444 N -2.63 3.50 -0.04 2.61 -4.23 -1.26 -2.01 115.64 111.58 3i2g s THR 444 Ca 0.00 1.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.82 3i2g s THR 444 Cb 0.00 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 3i2g s THR 444 CO 0.00 0.12 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.33 3i2g s VAL 445 N -1.47 1.46 0.13 2.29 1.01 0.76 -4.35 120.40 120.24 3i2g s VAL 445 Ca 0.54 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3i2g s VAL 445 Cb -0.27 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3i2g s VAL 445 CO 0.34 0.42 0.23 -0.94 0.00 0.00 0.00 175.10 175.15 3i2g s SER 446 N -0.11 0.09 0.07 3.32 1.04 -1.22 -0.57 113.70 116.33 3i2g s SER 446 Ca -0.01 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 55.70 3i2g s SER 446 Cb -0.10 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3i2g s SER 446 CO 0.01 -0.82 -0.21 0.00 0.98 0.00 0.00 173.24 173.21 3i2g s ALA 447 N -3.93 1.81 -0.26 5.32 0.00 -0.27 0.36 121.76 124.78 3i2g s ALA 447 Ca 0.13 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3i2g s ALA 447 Cb 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.91 3i2g s ALA 447 CO -0.04 0.39 -0.08 1.03 0.00 0.00 0.00 175.76 177.05 3i2g s ARG 448 N -1.54 2.42 -0.02 0.00 1.81 0.63 -0.50 118.95 121.76 3i2g s ARG 448 Ca 0.07 -1.24 0.05 0.00 -1.72 0.00 0.00 55.73 52.89 3i2g s ARG 448 Cb -0.09 -2.96 -0.03 0.00 -0.45 0.00 0.00 34.95 31.42 3i2g s ARG 448 CO 0.03 -0.54 -0.17 -0.51 -0.68 0.00 0.00 175.30 173.43 3i2g s LEU 449 N 1.19 2.60 -0.37 2.53 1.43 -0.29 -0.93 118.68 124.84 3i2g s LEU 449 Ca -0.06 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 3i2g s LEU 449 Cb -0.19 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3i2g s LEU 449 CO -0.04 0.32 0.49 -0.36 0.23 0.00 0.00 176.35 176.98 3i2g s PHE 450 N -0.77 3.17 0.19 0.29 0.40 -1.26 -0.74 117.98 119.26 3i2g s PHE 450 Ca 0.12 0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.55 3i2g s PHE 450 Cb -0.10 -2.93 -0.05 0.00 0.51 0.00 0.00 43.02 40.45 3i2g s PHE 450 CO 0.02 -0.58 -0.13 0.14 0.70 0.00 0.00 175.22 175.37 3i2g s VAL 451 N 2.34 1.55 0.06 -0.44 -7.23 0.31 0.35 120.40 117.33 3i2g s VAL 451 Ca 0.17 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 3i2g s VAL 451 Cb -0.16 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3i2g s VAL 451 CO 0.14 -0.64 0.32 -0.94 -0.31 0.00 0.00 175.10 173.67 3i2g s SER 452 N -3.27 -0.14 0.07 4.85 1.04 -0.56 -0.40 113.70 115.29 3i2g s SER 452 Ca 0.21 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.43 3i2g s SER 452 Cb 0.00 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3i2g s SER 452 CO 0.05 -0.66 -0.06 -0.55 0.98 0.00 0.00 173.24 173.00 3i2g s SER 453 N -2.21 0.94 0.00 7.02 0.15 -1.26 -1.05 113.70 117.29 3i2g s SER 453 Ca -0.03 -0.83 0.29 0.00 0.70 0.00 0.00 55.95 56.07 3i2g s SER 453 Cb -0.00 0.09 1.19 0.00 -1.71 0.00 0.00 66.02 65.59 3i2g s SER 453 CO -0.05 -0.38 1.85 -1.54 1.20 0.00 0.00 173.24 174.32 3i2g n SER 454 N 0.55 0.36 -4.82 5.45 3.41 -0.84 -0.42 113.62 117.32 3i2g n SER 454 Ca -0.16 -0.37 -0.22 0.00 -0.26 0.00 0.00 58.87 57.86 3i2g n SER 454 Cb 0.58 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3i2g n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2g s ALA 455 N -2.60 3.66 -2.23 7.33 0.00 -1.26 -4.77 121.76 121.89 3i2g s ALA 455 Ca 0.25 -1.55 0.29 0.00 0.00 0.00 0.00 51.96 50.95 3i2g s ALA 455 Cb 0.20 -1.19 1.26 0.00 0.00 0.00 0.00 23.12 23.39 3i2g s ALA 455 CO 0.50 0.14 1.87 1.33 0.00 0.00 0.00 175.76 179.60 3i2g n VAL 456 N -1.24 0.00 -3.54 0.00 0.24 -1.26 -4.23 118.33 108.30 3i2g n VAL 456 Ca -0.05 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 3i2g n VAL 456 Cb 0.59 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 3i2g n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2g s ASP 457 N -2.09 -0.53 0.13 -1.34 2.15 -1.26 -1.68 116.67 112.05 3i2g s ASP 457 Ca 0.39 0.53 -0.25 0.00 0.43 0.00 0.00 52.55 53.65 3i2g s ASP 457 Cb 0.21 0.45 0.08 0.00 -0.30 0.00 0.00 42.92 43.36 3i2g s ASP 457 CO 0.37 -0.53 1.08 0.28 -0.17 0.00 0.00 175.17 176.20 3i2g s THR 458 N -1.38 0.00 0.19 1.71 -1.32 -1.26 -4.06 115.64 109.52 3i2g s THR 458 Ca -0.06 -0.51 0.07 0.00 -1.21 0.00 0.00 61.69 59.97 3i2g s THR 458 Cb -0.00 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 3i2g s THR 458 CO 0.05 0.00 0.08 -1.81 -2.21 0.00 0.00 174.62 170.72 3i2g s ASP 459 N -3.28 5.12 -0.03 8.08 1.01 -1.26 -1.09 116.67 125.22 3i2g s ASP 459 Ca 0.19 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.17 3i2g s ASP 459 Cb -0.01 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.73 3i2g s ASP 459 CO 0.03 0.06 -0.07 -0.36 0.21 0.00 0.00 175.17 175.04 3i2g s PHE 460 N -1.85 0.83 0.13 4.23 0.08 -0.37 -4.28 117.98 116.75 3i2g s PHE 460 Ca 0.30 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 57.23 3i2g s PHE 460 Cb -0.09 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 3i2g s PHE 460 CO 0.21 -0.15 -0.24 0.95 -0.10 0.00 0.00 175.22 175.90 3i2g s THR 461 N 0.55 2.45 -0.02 0.64 -4.23 0.11 -0.36 115.64 114.78 3i2g s THR 461 Ca -0.08 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3i2g s THR 461 Cb -0.11 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3i2g s THR 461 CO 0.01 0.09 -0.02 0.00 -0.54 0.00 0.00 174.62 174.15 3i2g s ALA 462 N -1.11 0.38 -0.02 3.99 0.00 -0.97 -2.17 121.76 121.85 3i2g s ALA 462 Ca 0.16 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3i2g s ALA 462 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 3i2g s ALA 462 CO 0.07 0.01 -0.17 0.21 0.00 0.00 0.00 175.76 175.89 3i2g s LYS 463 N 0.51 1.42 -0.17 0.00 2.20 0.45 -1.19 119.74 122.95 3i2g s LYS 463 Ca -0.05 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.86 3i2g s LYS 463 Cb -0.09 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 3i2g s LYS 463 CO -0.01 0.34 0.15 -1.17 -0.36 0.00 0.00 175.35 174.31 3i2g s LEU 464 N -0.32 4.27 -0.01 5.43 2.96 0.23 -0.77 118.68 130.46 3i2g s LEU 464 Ca 0.05 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3i2g s LEU 464 Cb -0.07 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3i2g s LEU 464 CO -0.00 0.24 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.53 3i2g s VAL 465 N -0.02 0.40 -0.38 1.68 1.01 0.39 -0.28 120.40 123.20 3i2g s VAL 465 Ca 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3i2g s VAL 465 Cb -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3i2g s VAL 465 CO 0.00 0.14 0.29 -0.62 0.00 0.00 0.00 175.10 174.91 3i2g s ASP 466 N 0.21 6.10 -0.31 3.32 -1.08 0.47 -1.42 116.67 123.96 3i2g s ASP 466 Ca -0.02 -0.65 -0.21 0.00 -0.52 0.00 0.00 52.55 51.15 3i2g s ASP 466 Cb -0.06 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 39.24 3i2g s ASP 466 CO -0.00 -0.36 0.66 -0.69 0.52 0.00 0.00 175.17 175.30 3i2g s VAL 467 N 1.74 4.91 0.50 1.11 1.01 -0.87 -0.50 120.40 128.30 3i2g s VAL 467 Ca 0.06 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 3i2g s VAL 467 Cb -0.18 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3i2g s VAL 467 CO 0.11 -0.17 0.91 -0.36 0.00 0.00 0.00 175.10 175.59 3i2g s PHE 468 N 2.68 3.50 0.37 5.22 0.40 0.96 -1.91 117.98 129.21 3i2g s PHE 468 Ca 0.27 1.25 0.15 0.00 -0.60 0.00 0.00 56.93 58.00 3i2g s PHE 468 Cb -0.15 -2.63 1.03 0.00 0.51 0.00 0.00 43.02 41.78 3i2g s PHE 468 CO 0.12 -0.34 1.76 -1.35 0.70 0.00 0.00 175.22 176.10 3i2g h PRO 469 N 0.72 0.45 0.00 0.24 0.11 -1.88 -0.97 132.00 130.66 3i2g h PRO 469 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i2g h PRO 469 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i2g h PRO 469 CO 0.62 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3i2g n ASP 470 N -4.72 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.39 3i2g n ASP 470 Ca 0.26 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 3i2g n ASP 470 Cb 0.83 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 3i2g n ASP 470 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2g n GLY 471 N 1.00 3.01 3.60 6.12 0.00 -0.37 -5.07 105.19 113.49 3i2g n GLY 471 Ca 0.23 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.76 3i2g n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2g n ARG 472 N -1.23 1.36 -3.87 1.61 1.74 -1.26 -4.69 116.66 110.31 3i2g n ARG 472 Ca 0.00 0.49 -0.32 0.00 -0.77 0.00 0.00 57.85 57.25 3i2g n ARG 472 Cb 0.00 -2.10 -0.12 0.00 -1.02 0.00 0.00 32.46 29.22 3i2g n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2g s ALA 473 N 0.24 3.44 -0.23 7.54 0.00 -1.26 -0.03 121.76 131.47 3i2g s ALA 473 Ca 0.78 -3.33 -0.21 0.00 0.00 0.00 0.00 51.96 49.20 3i2g s ALA 473 Cb -0.86 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3i2g s ALA 473 CO 0.48 -2.06 0.67 0.42 0.00 0.00 0.00 175.76 175.27 3i2g s ILE 474 N -0.33 4.97 0.33 0.00 -1.09 0.34 0.43 121.20 125.85 3i2g s ILE 474 Ca 0.18 1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 3i2g s ILE 474 Cb -0.23 -3.97 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 3i2g s ILE 474 CO -0.02 0.05 1.37 0.00 -1.23 0.00 0.00 174.94 175.11 3i2g s ALA 475 N 2.31 3.54 0.00 9.38 0.00 -0.73 -0.40 121.76 135.86 3i2g s ALA 475 Ca 0.29 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3i2g s ALA 475 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3i2g s ALA 475 CO 0.09 -0.76 0.00 1.28 0.00 0.00 0.00 175.76 176.37 3i2g n LEU 476 N 0.96 0.00 -4.96 0.00 4.77 0.61 -4.41 117.00 113.98 3i2g n LEU 476 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3i2g n LEU 476 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3i2g n LEU 476 CO 0.60 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.67 3i2g s ASP 478 N -4.08 -0.28 0.12 0.00 -4.77 -1.23 -0.60 116.67 105.82 3i2g s ASP 478 Ca 0.41 -0.45 -0.02 0.00 -3.30 0.00 0.00 52.55 49.19 3i2g s ASP 478 Cb -0.09 0.58 0.01 0.00 -1.09 0.00 0.00 42.92 42.34 3i2g s ASP 478 CO 0.30 -1.06 0.20 0.61 0.70 0.00 0.00 175.17 175.92 3i2g n GLY 479 N -0.35 2.31 3.29 2.12 0.00 -0.33 -4.35 105.19 107.88 3i2g n GLY 479 Ca -0.10 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3i2g n GLY 479 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i2g s ILE 480 N -2.63 0.02 -0.17 -0.61 2.07 -1.26 -2.30 121.20 116.33 3i2g s ILE 480 Ca 0.07 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 3i2g s ILE 480 Cb -0.01 -0.61 0.02 0.00 0.13 0.00 0.00 42.46 41.99 3i2g s ILE 480 CO 0.05 -0.10 -0.20 0.54 -1.91 0.00 0.00 174.94 173.32 3i2g s VAL 481 N -0.49 2.06 -0.30 4.00 0.11 0.52 -3.80 120.40 122.50 3i2g s VAL 481 Ca -0.06 -0.95 -0.26 0.00 -2.93 0.00 0.00 61.98 57.78 3i2g s VAL 481 Cb -0.04 -1.85 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 3i2g s VAL 481 CO 0.03 0.54 0.90 -0.60 -3.33 0.00 0.00 175.10 172.64 3i2g s ARG 482 N 1.18 4.04 0.44 1.54 3.52 -0.59 -1.23 118.95 127.84 3i2g s ARG 482 Ca 0.02 0.83 0.13 0.00 -0.13 0.00 0.00 55.73 56.59 3i2g s ARG 482 Cb -0.14 -3.71 1.03 0.00 -1.56 0.00 0.00 34.95 30.57 3i2g s ARG 482 CO -0.11 -0.72 2.00 0.52 -0.81 0.00 0.00 175.30 176.18 3i2g h MET 483 N 8.01 0.38 0.00 5.12 2.86 -1.43 0.29 114.93 130.16 3i2g h MET 483 Ca -0.23 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3i2g h MET 483 Cb 1.08 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3i2g h MET 483 CO 0.93 0.25 -0.01 0.07 1.06 0.00 0.00 176.91 179.22 3i2g h ARG 484 N 0.40 0.00 -0.46 1.72 0.11 -1.83 -1.95 114.38 112.37 3i2g h ARG 484 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3i2g h ARG 484 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3i2g h ARG 484 CO -0.06 0.01 0.00 0.66 0.10 0.00 0.00 179.97 180.67 3i2g n TYR 485 N -3.15 1.03 -0.25 4.08 4.01 0.10 -1.76 117.16 121.21 3i2g n TYR 485 Ca -0.02 -0.64 0.14 0.00 -0.16 0.00 0.00 57.90 57.22 3i2g n TYR 485 Cb 0.13 -0.19 0.43 0.00 -0.31 0.00 0.00 39.34 39.40 3i2g n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2g h ARG 486 N 2.88 0.56 0.00 -0.72 0.11 -1.27 -2.90 114.38 113.05 3i2g h ARG 486 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3i2g h ARG 486 Cb 1.22 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3i2g h ARG 486 CO 0.15 0.37 -1.41 0.39 0.10 0.00 0.00 179.97 179.58 3i2g n GLU 487 N -4.55 0.93 -3.58 0.08 -0.58 -1.26 -4.76 120.64 106.92 3i2g n GLU 487 Ca 0.18 -0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.68 3i2g n GLU 487 Cb 0.55 -1.30 -0.06 0.00 -0.57 0.00 0.00 31.44 30.06 3i2g n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2g s THR 488 N -2.84 0.00 -1.57 2.62 -1.32 -1.09 -5.01 115.64 106.43 3i2g s THR 488 Ca -0.03 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.73 3i2g s THR 488 Cb 0.10 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.39 3i2g s THR 488 CO 0.60 0.00 1.67 0.18 -2.21 0.00 0.00 174.62 174.86 3i2g n LEU 489 N 1.48 0.69 -0.13 9.08 4.77 -1.26 -4.32 117.00 127.31 3i2g n LEU 489 Ca -0.15 -0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.48 3i2g n LEU 489 Cb 0.57 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3i2g n LEU 489 CO 0.14 0.13 -1.33 0.52 -1.33 0.00 0.00 177.39 175.53 3i2g n VAL 490 N -0.92 1.53 -3.53 4.08 0.31 -1.26 -0.84 118.33 117.70 3i2g n VAL 490 Ca 0.12 -0.39 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 3i2g n VAL 490 Cb 0.32 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.35 3i2g n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2g n ASN 491 N -4.07 2.89 -4.75 4.52 3.02 -1.26 -4.71 115.26 110.90 3i2g n ASN 491 Ca -0.50 -3.23 -0.39 0.00 -0.03 0.00 0.00 54.58 50.43 3i2g n ASN 491 Cb 0.89 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 3i2g n ASN 491 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i2g n PRO 492 N 1.35 1.81 -4.15 3.52 -0.04 -1.26 -4.86 135.00 131.37 3i2g n PRO 492 Ca 0.26 0.66 -0.14 0.00 -0.04 0.00 0.00 63.50 64.24 3i2g n PRO 492 Cb 0.41 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 3i2g n PRO 492 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i2g s THR 493 N -1.27 0.85 0.83 0.52 -4.23 -0.72 -5.02 115.64 106.60 3i2g s THR 493 Ca 0.70 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 3i2g s THR 493 Cb -0.42 -1.20 0.10 0.00 1.34 0.00 0.00 72.50 72.32 3i2g s THR 493 CO 0.51 -0.52 1.20 -0.76 -0.54 0.00 0.00 174.62 174.51 3i2g s LEU 494 N -2.24 2.57 0.33 4.79 1.43 -1.26 -4.17 118.68 120.12 3i2g s LEU 494 Ca 0.02 0.65 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 3i2g s LEU 494 Cb -0.04 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 3i2g s LEU 494 CO -0.00 -2.05 0.05 0.27 0.23 0.00 0.00 176.35 174.85 3i2g s ILE 495 N -3.62 2.90 -0.14 -0.59 -4.36 -0.68 -5.01 121.20 109.71 3i2g s ILE 495 Ca 0.64 -1.87 -0.21 0.00 -0.26 0.00 0.00 60.65 58.96 3i2g s ILE 495 Cb -0.10 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 3i2g s ILE 495 CO 0.49 -0.22 0.61 -1.61 0.24 0.00 0.00 174.94 174.45 3i2g s GLU 496 N -3.75 4.31 0.06 0.37 0.41 -1.26 -4.53 118.70 114.31 3i2g s GLU 496 Ca 0.35 0.64 -0.35 0.00 -0.41 0.00 0.00 54.97 55.20 3i2g s GLU 496 Cb -0.02 -3.50 -0.15 0.00 -1.78 0.00 0.00 34.13 28.68 3i2g s GLU 496 CO 0.21 -0.05 1.56 0.00 -0.49 0.00 0.00 175.26 176.49 3i2g n ALA 497 N 4.32 0.40 0.00 5.21 0.00 -1.26 -2.24 120.51 126.94 3i2g n ALA 497 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3i2g n ALA 497 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3i2g n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2g n GLY 498 N 3.33 3.22 3.75 0.00 0.00 0.45 -4.98 105.19 110.95 3i2g n GLY 498 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3i2g n GLY 498 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2g s GLU 499 N -0.51 4.76 0.00 1.61 0.41 -0.95 -4.87 118.70 119.15 3i2g s GLU 499 Ca 0.00 1.62 -0.27 0.00 -0.41 0.00 0.00 54.97 55.90 3i2g s GLU 499 Cb 0.00 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 3i2g s GLU 499 CO 0.00 0.38 0.87 0.42 -0.49 0.00 0.00 175.26 176.44 3i2g s ILE 500 N -1.19 4.85 0.02 -1.63 1.01 -1.26 -4.48 121.20 118.53 3i2g s ILE 500 Ca 0.43 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.99 3i2g s ILE 500 Cb -0.28 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 3i2g s ILE 500 CO 0.36 0.24 -0.26 -0.31 0.00 0.00 0.00 174.94 174.96 3i2g s TYR 501 N 0.66 2.33 -0.33 3.97 2.02 0.46 -4.94 117.35 121.52 3i2g s TYR 501 Ca 0.45 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.56 3i2g s TYR 501 Cb -0.20 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3i2g s TYR 501 CO 0.25 0.08 0.48 -2.00 -1.57 0.00 0.00 175.55 172.78 3i2g s GLU 502 N -1.05 3.70 0.13 -0.62 2.12 -1.26 -0.53 118.70 121.21 3i2g s GLU 502 Ca 0.11 -0.12 0.10 0.00 0.36 0.00 0.00 54.97 55.42 3i2g s GLU 502 Cb -0.10 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3i2g s GLU 502 CO 0.01 -0.55 -0.23 0.14 -0.54 0.00 0.00 175.26 174.08 3i2g s VAL 503 N 2.30 2.02 -0.14 3.70 -7.23 0.09 -4.96 120.40 116.18 3i2g s VAL 503 Ca 0.18 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 3i2g s VAL 503 Cb -0.16 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3i2g s VAL 503 CO 0.12 -0.05 0.15 0.00 -0.31 0.00 0.00 175.10 175.02 3i2g s ALA 504 N -1.31 3.81 -0.24 1.32 0.00 -1.26 -1.14 121.76 122.93 3i2g s ALA 504 Ca 0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3i2g s ALA 504 Cb -0.09 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.00 3i2g s ALA 504 CO 0.06 0.47 -0.06 0.42 0.00 0.00 0.00 175.76 176.65 3i2g s ILE 505 N -0.59 2.91 -0.40 0.00 1.01 0.35 -4.76 121.20 119.72 3i2g s ILE 505 Ca 0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 3i2g s ILE 505 Cb -0.12 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.92 3i2g s ILE 505 CO 0.03 0.24 1.20 -0.62 0.00 0.00 0.00 174.94 175.78 3i2g s ASP 506 N 1.34 6.66 -0.25 3.58 -1.08 -1.26 -1.11 116.67 124.55 3i2g s ASP 506 Ca 0.01 0.77 0.14 0.00 -0.52 0.00 0.00 52.55 52.95 3i2g s ASP 506 Cb -0.16 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.49 3i2g s ASP 506 CO -0.05 -1.17 1.69 0.23 0.52 0.00 0.00 175.17 176.39 3i2g n MET 507 N 7.58 4.13 0.00 4.34 2.81 0.27 -4.16 117.12 132.09 3i2g n MET 507 Ca 0.13 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 3i2g n MET 507 Cb 0.48 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 3i2g n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2g n LEU 508 N 0.15 0.00 -3.82 4.03 4.77 -1.18 -3.56 117.00 117.39 3i2g n LEU 508 Ca 0.30 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3i2g n LEU 508 Cb 1.18 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.21 3i2g n LEU 508 CO 0.31 0.00 0.09 0.00 -1.33 0.00 0.00 177.39 176.46 3i2g s ALA 509 N -1.86 -0.47 0.26 -1.18 0.00 -1.26 -0.17 121.76 117.07 3i2g s ALA 509 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 3i2g s ALA 509 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3i2g s ALA 509 CO 0.00 -0.68 0.66 -0.08 0.00 0.00 0.00 175.76 175.66 3i2g s THR 510 N -3.90 0.00 -0.21 0.00 -1.32 -0.85 -4.63 115.64 104.73 3i2g s THR 510 Ca 0.11 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 3i2g s THR 510 Cb 0.02 -1.93 0.07 0.00 -1.51 0.00 0.00 72.50 69.15 3i2g s THR 510 CO -0.04 -0.01 0.09 -0.55 -2.21 0.00 0.00 174.62 171.90 3i2g s SER 511 N -2.92 2.83 -0.11 8.08 0.15 -1.25 -1.33 113.70 119.16 3i2g s SER 511 Ca 0.12 -0.87 -0.06 0.00 0.70 0.00 0.00 55.95 55.84 3i2g s SER 511 Cb -0.04 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 63.93 3i2g s SER 511 CO 0.05 -0.36 0.26 0.21 1.20 0.00 0.00 173.24 174.60 3i2g s ASN 512 N 2.04 -0.28 -0.31 5.45 2.47 0.15 -0.93 114.94 123.52 3i2g s ASN 512 Ca 0.03 0.55 -0.17 0.00 0.42 0.00 0.00 52.86 53.69 3i2g s ASN 512 Cb -0.16 0.46 -0.02 0.00 -1.45 0.00 0.00 41.25 40.08 3i2g s ASN 512 CO -0.16 -0.15 0.49 -0.69 -3.72 0.00 0.00 177.10 172.87 3i2g s VAL 513 N 1.01 5.06 -0.50 -5.21 1.01 0.32 -0.14 120.40 121.95 3i2g s VAL 513 Ca -0.07 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 3i2g s VAL 513 Cb -0.08 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3i2g s VAL 513 CO -0.07 -0.07 1.01 -0.36 0.00 0.00 0.00 175.10 175.62 3i2g s PHE 514 N 2.31 2.83 0.62 5.22 0.40 0.54 -4.34 117.98 125.56 3i2g s PHE 514 Ca 0.19 0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.82 3i2g s PHE 514 Cb -0.16 -4.17 0.00 0.00 0.51 0.00 0.00 43.02 39.20 3i2g s PHE 514 CO 0.12 -1.25 0.97 -0.51 0.70 0.00 0.00 175.22 175.25 3i2g s LEU 515 N 4.12 3.15 0.36 -0.37 1.43 -1.26 -1.36 118.68 124.75 3i2g s LEU 515 Ca 0.39 0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 54.18 3i2g s LEU 515 Cb -0.09 -3.82 -0.12 0.00 0.03 0.00 0.00 46.19 42.19 3i2g s LEU 515 CO 0.26 -1.09 1.30 -2.65 0.23 0.00 0.00 176.35 174.40 3i2g n PRO 516 N -2.72 2.14 0.00 1.29 -0.02 -1.26 -1.34 135.00 133.08 3i2g n PRO 516 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3i2g n PRO 516 Cb 0.57 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3i2g n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2g n GLY 517 N 0.75 1.92 3.99 -1.23 0.00 0.94 -4.97 105.19 106.59 3i2g n GLY 517 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3i2g n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2g s HIS 518 N -2.37 2.16 0.04 1.61 3.76 -0.45 -3.86 115.29 116.18 3i2g s HIS 518 Ca 0.00 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 54.74 3i2g s HIS 518 Cb 0.00 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.90 3i2g s HIS 518 CO 0.00 -1.23 -0.14 1.03 -0.85 0.00 0.00 174.74 173.55 3i2g s ARG 519 N -4.89 0.97 -0.17 1.40 0.52 -0.80 -1.14 118.95 114.84 3i2g s ARG 519 Ca 0.61 -0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 54.82 3i2g s ARG 519 Cb -0.08 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 3i2g s ARG 519 CO 0.41 0.24 0.80 0.42 0.02 0.00 0.00 175.30 177.19 3i2g s ILE 520 N -0.82 4.91 0.10 1.52 1.01 -1.26 -2.04 121.20 124.61 3i2g s ILE 520 Ca 0.02 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.30 3i2g s ILE 520 Cb -0.08 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 3i2g s ILE 520 CO 0.01 0.05 -0.16 -0.32 0.00 0.00 0.00 174.94 174.53 3i2g s MET 521 N 2.04 0.98 -0.05 2.79 1.75 -0.51 -1.17 119.30 125.12 3i2g s MET 521 Ca 0.37 -1.13 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 3i2g s MET 521 Cb -0.17 -0.98 0.01 0.00 2.84 0.00 0.00 34.83 36.53 3i2g s MET 521 CO 0.13 0.21 -0.11 0.54 -0.65 0.00 0.00 175.02 175.13 3i2g s VAL 522 N -1.64 1.04 -0.18 10.11 0.11 -0.20 -0.46 120.40 129.17 3i2g s VAL 522 Ca 0.05 -0.44 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 3i2g s VAL 522 Cb -0.08 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3i2g s VAL 522 CO 0.03 0.33 0.18 -1.10 -3.33 0.00 0.00 175.10 171.21 3i2g s GLN 523 N 0.57 4.14 -0.06 1.54 -0.21 0.05 -1.60 119.66 124.08 3i2g s GLN 523 Ca -0.12 -0.12 0.06 0.00 0.02 0.00 0.00 55.36 55.20 3i2g s GLN 523 Cb -0.14 -3.40 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 3i2g s GLN 523 CO 0.03 0.33 -0.25 0.08 -2.12 0.00 0.00 175.29 173.36 3i2g s VAL 524 N 0.26 2.08 0.00 1.09 1.01 0.13 -0.41 120.40 124.56 3i2g s VAL 524 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3i2g s VAL 524 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3i2g s VAL 524 CO 0.00 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 3i2g n SER 525 N 3.00 0.00 -0.06 3.32 2.88 -0.92 -0.68 113.62 121.16 3i2g n SER 525 Ca -0.18 -0.52 0.02 0.00 -1.33 0.00 0.00 58.87 56.87 3i2g n SER 525 Cb 0.52 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.01 3i2g n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2g n SER 526 N -0.72 1.52 -3.48 -3.46 7.64 -1.26 0.06 113.62 113.91 3i2g n SER 526 Ca 0.00 -2.04 -0.13 0.00 1.01 0.00 0.00 58.87 57.71 3i2g n SER 526 Cb 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 3i2g n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2g s SER 527 N -1.21 -0.51 -0.47 6.43 1.04 -1.26 -4.19 113.70 113.52 3i2g s SER 527 Ca 0.07 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.58 3i2g s SER 527 Cb 0.06 0.56 0.21 0.00 0.10 0.00 0.00 66.02 66.96 3i2g s SER 527 CO 0.01 -0.89 0.87 -3.20 0.98 0.00 0.00 173.24 171.01 3i2g n ASN 528 N -0.14 -2.83 -4.53 7.02 5.15 -1.24 -4.42 115.26 114.27 3i2g n ASN 528 Ca -0.17 -2.61 -0.33 0.00 -0.60 0.00 0.00 54.58 50.86 3i2g n ASN 528 Cb 0.63 1.53 -0.12 0.00 -0.53 0.00 0.00 39.78 41.30 3i2g n ASN 528 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3i2g s PHE 529 N 0.79 2.85 -0.76 1.20 5.36 -0.16 -0.70 117.98 126.55 3i2g s PHE 529 Ca 0.29 -0.09 0.11 0.00 -0.96 0.00 0.00 56.93 56.28 3i2g s PHE 529 Cb 0.10 -1.70 0.54 0.00 -0.34 0.00 0.00 43.02 41.62 3i2g s PHE 529 CO -0.11 0.24 1.35 -0.35 -1.46 0.00 0.00 175.22 174.89 3i2g n PRO 530 N 2.37 3.39 -0.20 10.12 -0.04 -1.26 0.15 135.00 149.54 3i2g n PRO 530 Ca -0.18 -2.09 0.01 0.00 -0.04 0.00 0.00 63.50 61.20 3i2g n PRO 530 Cb 0.53 -1.91 0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3i2g n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2g h LYS 531 N 2.76 0.24 -6.72 0.54 1.63 -1.88 -2.59 116.57 110.56 3i2g h LYS 531 Ca 0.00 -0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 59.13 3i2g h LYS 531 Cb 1.36 -0.05 -0.22 0.00 -0.60 0.00 0.00 32.23 32.72 3i2g h LYS 531 CO 0.28 0.16 -0.86 0.71 -3.45 0.00 0.00 179.45 176.29 3i2g s TYR 532 N -6.11 2.18 0.78 1.91 2.02 0.12 -3.73 117.35 114.52 3i2g s TYR 532 Ca -0.13 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 3i2g s TYR 532 Cb 0.18 -1.18 0.06 0.00 -0.40 0.00 0.00 41.96 40.62 3i2g s TYR 532 CO 0.74 0.32 1.10 0.16 -1.57 0.00 0.00 175.55 176.30 3i2g s ASP 533 N -2.06 4.38 0.16 2.29 -4.77 -0.14 -4.13 116.67 112.41 3i2g s ASP 533 Ca 0.13 1.88 -0.28 0.00 -3.30 0.00 0.00 52.55 50.98 3i2g s ASP 533 Cb -0.10 -2.53 -0.07 0.00 -1.09 0.00 0.00 42.92 39.13 3i2g s ASP 533 CO 0.06 -2.12 0.88 -0.13 0.70 0.00 0.00 175.17 174.55 3i2g s ARG 534 N -4.79 4.69 0.12 2.11 0.52 -1.26 -4.81 118.95 115.53 3i2g s ARG 534 Ca 0.62 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.86 3i2g s ARG 534 Cb -0.18 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 3i2g s ARG 534 CO 0.55 0.42 1.11 1.21 0.02 0.00 0.00 175.30 178.61 3i2g s ASN 535 N -0.70 7.23 0.11 0.23 3.84 -1.26 -4.94 114.94 119.45 3i2g s ASN 535 Ca 0.41 2.02 0.27 0.00 0.21 0.00 0.00 52.86 55.76 3i2g s ASN 535 Cb -0.24 -2.59 1.02 0.00 -0.55 0.00 0.00 41.25 38.89 3i2g s ASN 535 CO 0.29 -0.29 1.84 -1.54 -2.79 0.00 0.00 177.10 174.60 3i2g n SER 536 N 2.99 0.40 -1.64 -4.21 3.41 -1.26 -4.67 113.62 108.63 3i2g n SER 536 Ca 0.05 0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 3i2g n SER 536 Cb 0.47 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3i2g n SER 536 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i2g n ASN 537 N -1.88 -4.75 -0.02 4.04 3.02 -1.26 -1.23 115.26 113.19 3i2g n ASN 537 Ca 0.06 0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.68 3i2g n ASN 537 Cb 0.37 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.70 3i2g n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2g n THR 538 N -3.65 0.23 -0.57 3.41 -2.24 -1.26 -4.44 114.28 105.76 3i2g n THR 538 Ca -0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3i2g n THR 538 Cb 0.61 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3i2g n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2g n GLY 539 N 2.73 0.74 1.84 3.38 0.00 -1.26 -4.79 105.19 107.83 3i2g n GLY 539 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3i2g n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2g n GLY 540 N -2.33 -0.87 3.55 -0.02 0.00 -1.26 -4.96 105.19 99.30 3i2g n GLY 540 Ca 0.00 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 3i2g n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2g s VAL 541 N -2.16 3.74 0.23 1.61 1.01 -1.26 -4.89 120.40 118.69 3i2g s VAL 541 Ca 0.35 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 3i2g s VAL 541 Cb -0.01 -4.83 0.25 0.00 0.00 0.00 0.00 36.38 31.80 3i2g s VAL 541 CO 0.24 -1.75 1.64 0.40 0.00 0.00 0.00 175.10 175.63 3i2g h ILE 542 N 6.44 0.38 0.00 2.22 2.04 -1.96 0.98 117.51 127.61 3i2g h ILE 542 Ca -0.09 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3i2g h ILE 542 Cb 1.04 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3i2g h ILE 542 CO 1.32 0.02 0.00 0.00 0.00 0.00 0.00 178.15 179.49 3i2g n ALA 543 N -2.93 1.63 0.99 1.87 0.00 -1.26 -2.24 120.51 118.58 3i2g n ALA 543 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3i2g n ALA 543 Cb 0.42 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.67 3i2g n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i2g n ARG 544 N -1.70 1.89 -3.42 0.00 5.12 0.33 -0.84 116.66 118.04 3i2g n ARG 544 Ca 0.03 -1.56 -0.37 0.00 -1.93 0.00 0.00 57.85 54.01 3i2g n ARG 544 Cb 0.18 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 3i2g n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i2g s GLU 545 N -2.18 4.00 0.46 5.56 2.02 -0.95 -4.80 118.70 122.81 3i2g s GLU 545 Ca 0.24 0.50 -0.22 0.00 0.02 0.00 0.00 54.97 55.52 3i2g s GLU 545 Cb 0.19 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 3i2g s GLU 545 CO 0.40 0.63 1.05 -0.65 0.02 0.00 0.00 175.26 176.72 3i2g s GLN 546 N -1.30 3.91 0.19 1.61 -1.52 -1.26 -4.03 119.66 117.26 3i2g s GLN 546 Ca 0.28 1.43 -0.15 0.00 -1.95 0.00 0.00 55.36 54.98 3i2g s GLN 546 Cb -0.17 -2.26 0.17 0.00 -0.22 0.00 0.00 33.01 30.53 3i2g s GLN 546 CO 0.16 -0.35 1.66 1.25 -0.25 0.00 0.00 175.29 177.77 3i2g h LEU 547 N 1.89 -0.40 -1.22 2.90 5.85 -1.95 -0.96 115.31 121.42 3i2g h LEU 547 Ca -0.49 0.14 0.22 0.00 0.84 0.00 0.00 57.88 58.59 3i2g h LEU 547 Cb 1.22 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 3i2g h LEU 547 CO 0.60 -0.14 0.62 -0.08 -0.34 0.00 0.00 178.44 179.10 3i2g h GLU 548 N 0.03 0.56 0.00 1.25 4.57 -2.00 -0.75 114.58 118.24 3i2g h GLU 548 Ca 0.24 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3i2g h GLU 548 Cb 0.38 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3i2g h GLU 548 CO -0.49 0.37 0.00 0.93 -1.18 0.00 0.00 179.01 178.64 3i2g h GLU 549 N 0.58 0.00 -7.38 1.92 5.08 -1.55 -3.46 114.58 109.76 3i2g h GLU 549 Ca 0.56 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.43 3i2g h GLU 549 Cb 1.14 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.46 3i2g h GLU 549 CO -0.32 0.00 0.38 -1.64 -1.00 0.00 0.00 179.01 176.43 3i2g s MET 550 N -3.50 3.14 0.23 2.33 -1.94 -0.29 -4.99 119.30 114.28 3i2g s MET 550 Ca 0.02 0.50 0.11 0.00 -1.71 0.00 0.00 55.69 54.62 3i2g s MET 550 Cb 0.09 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 3i2g s MET 550 CO 0.44 -0.82 -0.20 0.00 -0.01 0.00 0.00 175.02 174.44 3i2g s THR 552 N -2.00 3.71 -0.02 0.00 -4.23 -1.26 -4.45 115.64 107.39 3i2g s THR 552 Ca 0.25 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3i2g s THR 552 Cb -0.07 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.25 3i2g s THR 552 CO 0.13 -0.65 -0.04 0.00 -0.54 0.00 0.00 174.62 173.52 3i2g s ALA 553 N -3.22 0.48 -0.51 3.99 0.00 0.04 -4.89 121.76 117.65 3i2g s ALA 553 Ca 0.56 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 3i2g s ALA 553 Cb -0.11 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.85 3i2g s ALA 553 CO 0.50 0.06 0.71 0.08 0.00 0.00 0.00 175.76 177.11 3i2g s VAL 554 N 0.28 4.74 0.14 0.00 1.01 -1.26 0.31 120.40 125.61 3i2g s VAL 554 Ca -0.03 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3i2g s VAL 554 Cb -0.07 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3i2g s VAL 554 CO -0.00 -0.87 0.14 0.20 0.00 0.00 0.00 175.10 174.56 3i2g s ASN 555 N 2.67 5.62 -0.07 3.32 0.02 0.17 -1.99 114.94 124.68 3i2g s ASN 555 Ca 0.20 -0.06 -0.04 0.00 -1.02 0.00 0.00 52.86 51.94 3i2g s ASN 555 Cb -0.17 -1.51 0.04 0.00 0.02 0.00 0.00 41.25 39.62 3i2g s ASN 555 CO 0.15 0.09 0.17 -0.60 0.02 0.00 0.00 177.10 176.93 3i2g s ARG 556 N -2.93 0.14 -0.26 -0.60 3.52 -0.21 -1.49 118.95 117.13 3i2g s ARG 556 Ca 0.31 0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 56.20 3i2g s ARG 556 Cb -0.11 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3i2g s ARG 556 CO 0.24 -0.13 0.10 0.42 -0.81 0.00 0.00 175.30 175.12 3i2g s ILE 557 N 0.93 4.57 -0.01 4.11 -1.09 0.25 -1.50 121.20 128.46 3i2g s ILE 557 Ca -0.07 -0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.17 3i2g s ILE 557 Cb -0.09 -3.15 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3i2g s ILE 557 CO -0.05 0.31 0.30 -1.00 -1.23 0.00 0.00 174.94 173.28 3i2g s HIS 558 N 1.65 3.63 -0.20 3.97 3.76 0.15 -0.83 115.29 127.43 3i2g s HIS 558 Ca 0.07 0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 55.53 3i2g s HIS 558 Cb -0.15 -2.10 0.06 0.00 1.11 0.00 0.00 32.58 31.50 3i2g s HIS 558 CO 0.06 0.64 0.53 -0.98 -0.85 0.00 0.00 174.74 174.13 3i2g s ARG 559 N -1.40 0.59 0.00 1.40 1.70 -0.45 -4.22 118.95 116.57 3i2g s ARG 559 Ca 0.24 0.79 0.00 0.00 -0.47 0.00 0.00 55.73 56.29 3i2g s ARG 559 Cb -0.14 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 3i2g s ARG 559 CO 0.13 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 3i2g n GLY 560 N 3.15 -0.12 0.23 3.88 0.00 -0.64 -0.39 105.19 111.30 3i2g n GLY 560 Ca -0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 3i2g n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i2g h PRO 561 N 1.98 0.72 0.00 1.61 0.11 -1.75 -2.66 132.00 132.00 3i2g h PRO 561 Ca 0.00 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 3i2g h PRO 561 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3i2g h PRO 561 CO 0.00 0.48 -0.91 0.93 -0.21 0.00 0.00 178.00 178.29 3i2g h GLU 562 N 0.74 0.00 -2.48 1.05 4.39 -1.93 -3.38 114.58 112.97 3i2g h GLU 562 Ca 0.22 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.32 3i2g h GLU 562 Cb -0.04 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.20 3i2g h GLU 562 CO -0.07 0.20 -0.66 0.72 -1.16 0.00 0.00 179.01 178.05 3i2g n HIS 563 N -2.92 2.86 -1.56 4.33 8.25 -1.18 -5.04 115.22 119.97 3i2g n HIS 563 Ca -0.02 -4.10 -0.42 0.00 -0.26 0.00 0.00 57.72 52.92 3i2g n HIS 563 Cb 0.69 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 3i2g n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2g n PRO 564 N 1.39 2.61 -1.70 -0.41 -0.04 -1.01 -1.61 135.00 134.23 3i2g n PRO 564 Ca 0.26 -2.39 -0.43 0.00 -0.04 0.00 0.00 63.50 60.90 3i2g n PRO 564 Cb 0.41 -3.16 -0.02 0.00 -0.04 0.00 0.00 33.50 30.69 3i2g n PRO 564 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i2g n SER 565 N 6.17 3.00 -3.66 3.54 7.64 -1.26 -4.94 113.62 124.11 3i2g n SER 565 Ca 0.53 1.17 -0.10 0.00 1.01 0.00 0.00 58.87 61.48 3i2g n SER 565 Cb 0.38 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3i2g n SER 565 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2g s HIS 566 N -0.44 -0.22 -0.14 1.43 -3.43 -0.10 -1.87 115.29 110.51 3i2g s HIS 566 Ca 0.62 -0.09 -0.08 0.00 -0.80 0.00 0.00 55.06 54.72 3i2g s HIS 566 Cb -0.59 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 30.93 3i2g s HIS 566 CO 0.54 -0.87 0.13 -1.50 -2.00 0.00 0.00 174.74 171.05 3i2g s ILE 567 N -3.84 5.44 -0.37 -5.38 2.07 -0.52 -0.27 121.20 118.34 3i2g s ILE 567 Ca 0.06 0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 59.32 3i2g s ILE 567 Cb -0.01 -3.40 0.00 0.00 0.13 0.00 0.00 42.46 39.18 3i2g s ILE 567 CO -0.06 0.57 0.47 -0.69 -1.91 0.00 0.00 174.94 173.31 3i2g s VAL 568 N -0.63 5.05 -0.18 4.00 1.01 0.16 -0.69 120.40 129.12 3i2g s VAL 568 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3i2g s VAL 568 Cb -0.12 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3i2g s VAL 568 CO 0.02 -0.26 0.07 -0.76 0.00 0.00 0.00 175.10 174.17 3i2g s LEU 569 N 2.28 3.88 -1.23 3.92 1.43 -0.29 -3.38 118.68 125.30 3i2g s LEU 569 Ca 0.16 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 3i2g s LEU 569 Cb -0.16 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3i2g s LEU 569 CO 0.13 0.19 1.86 -0.81 0.23 0.00 0.00 176.35 177.95 3i2g n PRO 570 N 3.44 2.32 -2.21 1.29 -0.04 -1.26 -0.12 135.00 138.41 3i2g n PRO 570 Ca -0.17 -2.81 -0.42 0.00 -0.04 0.00 0.00 63.50 60.07 3i2g n PRO 570 Cb 0.52 -3.60 -0.03 0.00 -0.04 0.00 0.00 33.50 30.35 3i2g n PRO 570 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i2g s ILE 571 N 7.77 3.34 -0.09 0.52 -1.09 -0.43 -1.49 121.20 129.73 3i2g s ILE 571 Ca 0.61 1.01 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 3i2g s ILE 571 Cb 0.02 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3i2g s ILE 571 CO 0.11 0.10 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.09 3i2g s ILE 572 N 0.76 2.49 -0.13 2.92 -1.09 0.35 -0.76 121.20 125.73 3i2g s ILE 572 Ca 0.61 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3i2g s ILE 572 Cb -0.36 -1.97 0.03 0.00 -1.58 0.00 0.00 42.46 38.57 3i2g s ILE 572 CO 0.33 0.56 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.74 3i2g s LYS 573 N 0.05 1.85 -0.12 2.79 2.47 -1.26 -3.96 119.74 121.57 3i2g s LYS 573 Ca -0.08 -0.41 -0.02 0.00 -1.56 0.00 0.00 55.97 53.90 3i2g s LYS 573 Cb -0.15 -1.85 0.04 0.00 -1.46 0.00 0.00 37.83 34.40 3i2g s LYS 573 CO 0.05 -0.27 0.01 1.03 0.16 0.00 0.00 175.35 176.34 3i2g s ARG 574 N 1.60 0.64 0.00 4.03 1.81 -1.26 -5.12 118.95 120.65 3i2g s ARG 574 Ca 0.05 -0.10 0.16 0.00 -1.72 0.00 0.00 55.73 54.12 3i2g s ARG 574 Cb -0.13 -1.43 0.13 0.00 -0.45 0.00 0.00 34.95 33.07 3i2g s ARG 574 CO -0.09 -0.44 1.02 1.63 -0.68 0.00 0.00 175.30 176.74