#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2i s ASP 3 N 0.00 6.88 0.00 4.52 1.11 -1.26 -1.44 116.67 126.47 3i2i s ASP 3 Ca 0.00 1.53 0.00 0.00 0.18 0.00 0.00 52.55 54.26 3i2i s ASP 3 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3i2i s ASP 3 CO 0.00 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.12 3i2i n GLY 4 N 3.79 2.14 3.91 0.21 0.00 -1.14 -5.06 105.19 109.03 3i2i n GLY 4 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3i2i n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2i s ASN 5 N -1.84 6.44 0.26 1.61 -0.87 -0.52 -4.62 114.94 115.39 3i2i s ASN 5 Ca 0.00 0.56 -0.17 0.00 -1.57 0.00 0.00 52.86 51.68 3i2i s ASN 5 Cb 0.00 -2.08 0.01 0.00 -0.02 0.00 0.00 41.25 39.16 3i2i s ASN 5 CO 0.00 -0.05 0.59 -0.72 -2.57 0.00 0.00 177.10 174.35 3i2i s TYR 6 N -1.86 0.09 0.18 2.20 1.13 -1.26 -1.40 117.35 116.44 3i2i s TYR 6 Ca 0.41 -0.50 0.06 0.00 -1.41 0.00 0.00 57.07 55.63 3i2i s TYR 6 Cb -0.11 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 3i2i s TYR 6 CO 0.28 -1.10 -0.10 -1.54 -2.51 0.00 0.00 175.55 170.57 3i2i s SER 7 N -2.97 2.12 -0.09 -0.18 1.04 -0.46 -4.89 113.70 108.27 3i2i s SER 7 Ca 0.17 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 3i2i s SER 7 Cb -0.03 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.05 3i2i s SER 7 CO 0.08 -0.30 -0.04 -0.69 0.98 0.00 0.00 173.24 173.27 3i2i s VAL 8 N -3.20 0.73 -0.18 5.02 1.01 -1.26 -1.23 120.40 121.29 3i2i s VAL 8 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3i2i s VAL 8 Cb 0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3i2i s VAL 8 CO 0.04 0.31 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 3i2i s ALA 9 N 1.73 2.92 -0.06 5.51 0.00 -0.41 -4.95 121.76 126.51 3i2i s ALA 9 Ca 0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3i2i s ALA 9 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3i2i s ALA 9 CO -0.06 -0.07 0.13 -1.12 0.00 0.00 0.00 175.76 174.64 3i2i s SER 10 N 0.86 6.13 -1.24 0.00 0.01 -1.26 -0.49 113.70 117.71 3i2i s SER 10 Ca -0.01 0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.52 3i2i s SER 10 Cb -0.15 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.19 3i2i s SER 10 CO 0.02 0.33 1.07 0.59 0.41 0.00 0.00 173.24 175.66 3i2i n ASN 11 N 1.52 -5.28 -4.69 2.44 3.02 -0.65 -4.97 115.26 106.64 3i2i n ASN 11 Ca -0.16 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 3i2i n ASN 11 Cb 0.54 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.94 3i2i n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2i s VAL 12 N -3.31 4.06 -0.27 2.41 1.01 -0.03 -4.79 120.40 119.48 3i2i s VAL 12 Ca 0.44 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 3i2i s VAL 12 Cb -0.19 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3i2i s VAL 12 CO 0.68 0.01 0.21 -0.04 0.00 0.00 0.00 175.10 175.96 3i2i s MET 13 N 2.16 3.97 -0.24 2.72 1.00 -1.26 -0.55 119.30 127.10 3i2i s MET 13 Ca 0.59 -0.27 -0.05 0.00 0.00 0.00 0.00 55.69 55.95 3i2i s MET 13 Cb -0.27 -3.65 -0.01 0.00 0.00 0.00 0.00 34.83 30.90 3i2i s MET 13 CO 0.24 -0.16 0.01 0.08 0.00 0.00 0.00 175.02 175.18 3i2i s VAL 14 N 1.72 3.74 0.04 -6.03 1.01 0.13 -4.89 120.40 116.11 3i2i s VAL 14 Ca 0.08 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3i2i s VAL 14 Cb -0.16 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3i2i s VAL 14 CO 0.10 0.36 1.20 -2.84 0.00 0.00 0.00 175.10 173.92 3i2i s PRO 15 N 1.53 4.42 0.76 2.72 0.02 -1.26 -0.72 135.00 142.47 3i2i s PRO 15 Ca 0.06 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.74 3i2i s PRO 15 Cb -0.15 -3.39 0.08 0.00 0.02 0.00 0.00 34.50 31.06 3i2i s PRO 15 CO -0.00 -0.29 1.10 -1.64 -0.33 0.00 0.00 177.00 175.83 3i2i s MET 16 N 1.29 1.94 0.53 5.54 -1.94 0.46 -4.89 119.30 122.22 3i2i s MET 16 Ca 0.58 -0.20 0.23 0.00 -1.71 0.00 0.00 55.69 54.59 3i2i s MET 16 Cb -0.28 -2.08 1.36 0.00 2.01 0.00 0.00 34.83 35.84 3i2i s MET 16 CO 0.28 -1.48 2.04 0.07 -0.01 0.00 0.00 175.02 175.92 3i2i h ARG 17 N -0.84 0.00 -0.33 2.03 0.11 -1.92 0.53 114.38 113.96 3i2i h ARG 17 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3i2i h ARG 17 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3i2i h ARG 17 CO 0.59 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.26 3i2i n ASP 18 N -4.42 2.07 0.00 0.08 5.75 -1.26 -4.91 116.55 113.86 3i2i n ASP 18 Ca 0.06 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3i2i n ASP 18 Cb 0.47 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3i2i n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2i n GLY 19 N 1.16 1.18 3.74 6.12 0.00 0.18 -5.03 105.19 112.53 3i2i n GLY 19 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3i2i n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2i s VAL 20 N -3.72 3.77 -0.22 1.61 1.01 -1.26 -4.70 120.40 116.90 3i2i s VAL 20 Ca 0.00 1.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.40 3i2i s VAL 20 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i2i s VAL 20 CO 0.00 0.25 0.12 -0.13 0.00 0.00 0.00 175.10 175.33 3i2i s ARG 21 N -0.28 3.98 -0.14 2.72 0.52 -1.26 -0.41 118.95 124.08 3i2i s ARG 21 Ca 0.51 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 3i2i s ARG 21 Cb -0.30 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 3i2i s ARG 21 CO 0.35 0.09 0.24 -0.51 0.02 0.00 0.00 175.30 175.50 3i2i s LEU 22 N 0.92 4.30 0.11 2.53 1.02 0.10 -1.51 118.68 126.16 3i2i s LEU 22 Ca 0.06 0.51 -0.26 0.00 0.02 0.00 0.00 54.13 54.46 3i2i s LEU 22 Cb -0.13 -2.28 -0.07 0.00 0.02 0.00 0.00 46.19 43.73 3i2i s LEU 22 CO 0.03 0.22 0.82 0.00 0.02 0.00 0.00 176.35 177.43 3i2i s ALA 23 N -0.10 3.37 0.16 4.21 0.00 -1.26 -0.70 121.76 127.44 3i2i s ALA 23 Ca 0.16 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3i2i s ALA 23 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3i2i s ALA 23 CO 0.04 0.13 -0.13 0.14 0.00 0.00 0.00 175.76 175.94 3i2i s VAL 24 N -0.46 1.40 -0.07 0.00 -7.23 0.29 -1.44 120.40 112.90 3i2i s VAL 24 Ca 0.39 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3i2i s VAL 24 Cb -0.22 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3i2i s VAL 24 CO 0.26 -0.62 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.55 3i2i s ASP 25 N -3.04 4.64 -0.22 4.85 1.01 -0.29 -0.86 116.67 122.76 3i2i s ASP 25 Ca 0.17 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.38 3i2i s ASP 25 Cb -0.00 -1.18 0.01 0.00 1.01 0.00 0.00 42.92 42.76 3i2i s ASP 25 CO 0.03 0.36 -0.09 -0.76 0.21 0.00 0.00 175.17 174.93 3i2i s LEU 26 N -0.79 2.76 -0.42 1.23 1.43 0.36 -2.08 118.68 121.17 3i2i s LEU 26 Ca 0.12 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3i2i s LEU 26 Cb -0.11 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.52 3i2i s LEU 26 CO 0.01 -0.04 0.28 -0.31 0.23 0.00 0.00 176.35 176.53 3i2i s TYR 27 N 1.40 3.29 -0.11 0.29 1.51 0.08 -1.28 117.35 122.53 3i2i s TYR 27 Ca 0.04 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 3i2i s TYR 27 Cb -0.14 -2.88 0.01 0.00 -0.11 0.00 0.00 41.96 38.83 3i2i s TYR 27 CO -0.06 -0.78 -0.21 1.03 -1.11 0.00 0.00 175.55 174.42 3i2i s ARG 28 N 1.52 2.79 0.59 -0.62 0.52 -0.37 -0.82 118.95 122.56 3i2i s ARG 28 Ca 0.03 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 3i2i s ARG 28 Cb -0.22 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3i2i s ARG 28 CO 0.05 0.07 1.23 -1.25 0.02 0.00 0.00 175.30 175.42 3i2i s PRO 29 N 0.61 2.97 -0.38 3.54 0.04 -1.26 -1.35 135.00 139.17 3i2i s PRO 29 Ca -0.13 1.89 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 3i2i s PRO 29 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3i2i s PRO 29 CO 0.04 -1.22 2.10 -0.51 0.04 0.00 0.00 177.00 177.45 3i2i s ASP 30 N -1.50 5.27 -0.07 6.66 1.11 -0.50 -4.84 116.67 122.79 3i2i s ASP 30 Ca 0.77 1.28 -0.07 0.00 0.18 0.00 0.00 52.55 54.71 3i2i s ASP 30 Cb -0.32 -2.51 0.02 0.00 1.07 0.00 0.00 42.92 41.18 3i2i s ASP 30 CO 0.35 -2.21 0.20 0.00 1.18 0.00 0.00 175.17 174.69 3i2i s ALA 31 N 9.10 -0.49 0.12 5.23 0.00 -1.26 -4.23 121.76 130.23 3i2i s ALA 31 Ca 0.89 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 3i2i s ALA 31 Cb -0.23 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 3i2i s ALA 31 CO 0.30 -0.10 1.62 0.38 0.00 0.00 0.00 175.76 177.96 3i2i h ASP 32 N 5.92 -0.94 -2.09 0.00 2.03 -2.02 -3.47 116.42 115.86 3i2i h ASP 32 Ca -0.26 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 3i2i h ASP 32 Cb 1.19 0.36 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 3i2i h ASP 32 CO 0.38 -0.40 0.00 0.61 -1.03 0.00 0.00 179.24 178.80 3i2i n GLY 33 N -1.42 5.75 3.80 7.15 0.00 -1.26 -5.13 105.19 114.08 3i2i n GLY 33 Ca -0.06 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 3i2i n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2i s PRO 34 N -0.69 2.94 0.17 1.61 0.04 -1.26 -4.94 135.00 132.86 3i2i s PRO 34 Ca 0.00 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.23 3i2i s PRO 34 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3i2i s PRO 34 CO 0.00 -1.11 -0.12 0.14 0.04 0.00 0.00 177.00 175.96 3i2i s VAL 35 N -2.72 1.38 0.65 -0.36 -7.23 0.40 -4.56 120.40 107.96 3i2i s VAL 35 Ca 0.62 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 3i2i s VAL 35 Cb -0.16 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 3i2i s VAL 35 CO 0.47 -0.68 1.18 -2.16 -0.31 0.00 0.00 175.10 173.60 3i2i s PRO 36 N -3.66 2.68 -0.01 4.82 0.04 -1.26 -1.05 135.00 136.55 3i2i s PRO 36 Ca 0.18 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.95 3i2i s PRO 36 Cb 0.01 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3i2i s PRO 36 CO 0.03 -1.40 -0.15 0.08 0.04 0.00 0.00 177.00 175.60 3i2i s VAL 37 N -1.92 1.20 -0.12 -0.36 1.01 0.07 -1.25 120.40 119.03 3i2i s VAL 37 Ca 0.74 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3i2i s VAL 37 Cb -0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3i2i s VAL 37 CO 0.39 0.34 -0.15 -0.76 0.00 0.00 0.00 175.10 174.91 3i2i s LEU 38 N -0.34 2.59 -0.10 3.92 1.43 0.79 -0.57 118.68 126.41 3i2i s LEU 38 Ca 0.05 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3i2i s LEU 38 Cb -0.06 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 3i2i s LEU 38 CO -0.01 0.17 -0.09 -0.22 0.23 0.00 0.00 176.35 176.43 3i2i s LEU 39 N 0.33 3.00 -0.12 1.79 2.96 0.55 0.03 118.68 127.23 3i2i s LEU 39 Ca -0.12 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3i2i s LEU 39 Cb -0.16 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.87 3i2i s LEU 39 CO 0.06 0.27 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.51 3i2i s VAL 40 N -0.23 1.58 -0.29 1.68 1.01 0.88 -3.50 120.40 121.52 3i2i s VAL 40 Ca 0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3i2i s VAL 40 Cb -0.13 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3i2i s VAL 40 CO 0.03 0.46 0.05 -0.13 0.00 0.00 0.00 175.10 175.50 3i2i s ARG 41 N 1.00 2.92 -0.12 2.72 0.52 -1.26 -0.79 118.95 123.94 3i2i s ARG 41 Ca -0.06 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 3i2i s ARG 41 Cb -0.15 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.06 3i2i s ARG 41 CO -0.02 -0.47 -0.15 1.21 0.02 0.00 0.00 175.30 175.88 3i2i s ASN 42 N 1.43 2.54 0.00 0.23 3.04 -0.02 -4.17 114.94 117.98 3i2i s ASN 42 Ca 0.01 -0.45 0.19 0.00 0.04 0.00 0.00 52.86 52.64 3i2i s ASN 42 Cb -0.18 -1.13 0.60 0.00 -1.54 0.00 0.00 41.25 39.01 3i2i s ASN 42 CO 0.01 -0.01 1.46 -0.81 -3.04 0.00 0.00 177.10 174.71 3i2i n PRO 43 N 4.38 1.88 -0.72 0.43 -0.04 -1.26 -1.86 135.00 137.81 3i2i n PRO 43 Ca -0.18 -1.34 0.01 0.00 -0.04 0.00 0.00 63.50 61.95 3i2i n PRO 43 Cb 0.51 -1.39 0.20 0.00 -0.04 0.00 0.00 33.50 32.79 3i2i n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2i n TYR 44 N 0.56 0.54 -1.39 0.54 4.01 -1.26 -4.95 117.16 115.22 3i2i n TYR 44 Ca 0.16 -1.57 -0.00 0.00 -0.16 0.00 0.00 57.90 56.33 3i2i n TYR 44 Cb 0.36 -0.37 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3i2i n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2i n ASP 45 N -1.12 -2.21 -0.18 7.72 -0.08 -1.26 -4.68 116.55 114.74 3i2i n ASP 45 Ca 0.26 0.14 0.25 0.00 -1.51 0.00 0.00 54.79 53.93 3i2i n ASP 45 Cb 0.86 -1.38 0.66 0.00 2.34 0.00 0.00 41.12 43.60 3i2i n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2i h LYS 46 N 0.37 0.11 -0.23 -0.67 2.10 -1.83 0.07 116.57 116.49 3i2i h LYS 46 Ca -0.03 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 3i2i h LYS 46 Cb 0.06 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3i2i h LYS 46 CO 0.00 0.07 -0.06 0.74 -2.00 0.00 0.00 179.45 178.20 3i2i h PHE 47 N 0.11 0.37 -0.97 0.07 0.04 -1.95 -3.36 116.94 111.26 3i2i h PHE 47 Ca 0.42 -0.04 -0.74 0.00 2.80 0.00 0.00 57.97 60.42 3i2i h PHE 47 Cb 1.48 -0.11 -0.11 0.00 2.20 0.00 0.00 35.95 39.41 3i2i h PHE 47 CO -0.00 0.43 2.34 -3.47 -0.60 0.00 0.00 178.31 177.01 3i2i n ASP 48 N -4.29 4.70 0.16 2.17 -0.08 0.01 -4.77 116.55 114.45 3i2i n ASP 48 Ca 0.00 -3.00 0.02 0.00 -1.51 0.00 0.00 54.79 50.29 3i2i n ASP 48 Cb 0.25 -1.56 0.24 0.00 2.34 0.00 0.00 41.12 42.39 3i2i n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3i2i h VAL 49 N 3.99 1.22 0.00 5.18 -1.51 -1.79 -3.20 116.25 120.14 3i2i h VAL 49 Ca 0.45 -1.86 -0.09 0.00 -1.23 0.00 0.00 66.70 63.98 3i2i h VAL 49 Cb 0.66 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 3i2i h VAL 49 CO 1.67 0.50 -0.41 -0.26 -1.23 0.00 0.00 177.57 177.85 3i2i h PHE 50 N 0.00 0.00 -0.11 5.19 0.04 -1.96 -2.69 116.94 117.41 3i2i h PHE 50 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3i2i h PHE 50 Cb 1.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 3i2i h PHE 50 CO 0.00 0.41 -0.33 0.00 -0.60 0.00 0.00 178.31 177.79 3i2i h ALA 51 N 1.59 1.24 0.00 2.45 0.00 -1.97 -3.34 119.26 119.24 3i2i h ALA 51 Ca -0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3i2i h ALA 51 Cb 0.84 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3i2i h ALA 51 CO 0.05 0.51 -1.71 -2.67 0.00 0.00 0.00 179.25 175.44 3i2i n TRP 52 N -4.10 0.00 0.21 0.00 4.27 -1.23 -4.72 117.44 111.88 3i2i n TRP 52 Ca -0.01 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.65 3i2i n TRP 52 Cb 0.41 -0.50 0.50 0.00 -1.36 0.00 0.00 31.31 30.36 3i2i n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2i h SER 53 N 0.00 0.02 0.70 -0.67 0.02 -1.59 -0.94 113.55 111.09 3i2i h SER 53 Ca -0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3i2i h SER 53 Cb 1.53 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3i2i h SER 53 CO 0.01 0.19 0.00 0.71 -1.14 0.00 0.00 176.83 176.61 3i2i h THR 54 N 0.03 0.00 -0.51 -2.27 1.35 -1.83 -0.65 112.91 109.02 3i2i h THR 54 Ca 0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3i2i h THR 54 Cb 0.31 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3i2i h THR 54 CO 0.02 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.31 3i2i n GLN 55 N -2.35 4.34 0.00 4.72 3.00 -0.36 -4.86 117.38 121.87 3i2i n GLN 55 Ca 0.02 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 3i2i n GLN 55 Cb 0.22 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.29 3i2i n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2i n SER 56 N 0.28 0.00 -3.70 1.08 2.88 -0.28 -4.81 113.62 109.07 3i2i n SER 56 Ca 0.27 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 3i2i n SER 56 Cb 1.15 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.55 3i2i n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2i s THR 57 N 0.00 0.07 -1.49 2.46 -4.23 -1.01 -4.72 115.64 106.73 3i2i s THR 57 Ca 0.00 -0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3i2i s THR 57 Cb 0.00 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 3i2i s THR 57 CO 0.00 -0.33 2.47 0.59 -0.54 0.00 0.00 174.62 176.81 3i2i n ASN 58 N 0.31 5.54 0.12 3.99 3.02 -1.26 -4.73 115.26 122.25 3i2i n ASN 58 Ca -0.18 -2.73 0.11 0.00 -0.03 0.00 0.00 54.58 51.75 3i2i n ASN 58 Cb 0.61 -1.60 0.47 0.00 -0.61 0.00 0.00 39.78 38.65 3i2i n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3i2i n TRP 59 N 5.24 0.67 0.28 3.10 4.27 -1.26 -1.66 117.44 128.07 3i2i n TRP 59 Ca 0.61 0.28 0.13 0.00 -3.89 0.00 0.00 57.50 54.64 3i2i n TRP 59 Cb 0.33 -0.96 0.82 0.00 -1.36 0.00 0.00 31.31 30.14 3i2i n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3i2i h LEU 60 N 0.00 0.00 -0.96 5.67 3.38 -2.01 0.48 115.31 121.87 3i2i h LEU 60 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3i2i h LEU 60 Cb 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3i2i h LEU 60 CO 0.00 0.05 0.63 -0.08 0.09 0.00 0.00 178.44 179.12 3i2i h GLU 61 N 0.00 1.17 -0.78 1.13 4.81 -1.74 0.16 114.58 119.33 3i2i h GLU 61 Ca -0.00 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3i2i h GLU 61 Cb 0.11 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 3i2i h GLU 61 CO 0.01 0.77 0.46 0.74 -0.73 0.00 0.00 179.01 180.26 3i2i h PHE 62 N 1.20 0.85 -0.18 0.92 0.04 -1.08 -0.87 116.94 117.82 3i2i h PHE 62 Ca 0.39 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 61.11 3i2i h PHE 62 Cb 0.03 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3i2i h PHE 62 CO -0.01 0.40 -0.20 0.28 -0.60 0.00 0.00 178.31 178.18 3i2i h VAL 63 N 0.83 1.34 -0.00 -0.55 2.07 -1.31 -0.72 116.25 117.90 3i2i h VAL 63 Ca 0.35 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3i2i h VAL 63 Cb 0.22 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3i2i h VAL 63 CO -0.19 0.42 0.00 0.03 0.02 0.00 0.00 177.57 177.85 3i2i h ARG 64 N 0.12 0.00 -0.63 1.57 3.08 -0.76 -2.05 114.38 115.71 3i2i h ARG 64 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i2i h ARG 64 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3i2i h ARG 64 CO 0.05 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70 3i2i n ASP 65 N -3.71 3.68 0.00 7.04 8.00 -0.35 -2.89 116.55 128.32 3i2i n ASP 65 Ca -0.03 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3i2i n ASP 65 Cb 0.08 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3i2i n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i2i n GLY 66 N 1.59 1.17 3.89 0.44 0.00 -0.77 -5.04 105.19 106.47 3i2i n GLY 66 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3i2i n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2i s TYR 67 N -2.00 3.57 0.27 1.61 1.51 -0.31 -4.36 117.35 117.63 3i2i s TYR 67 Ca 0.00 0.50 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 3i2i s TYR 67 Cb 0.00 -1.93 -0.08 0.00 -0.11 0.00 0.00 41.96 39.84 3i2i s TYR 67 CO 0.00 0.64 0.70 0.00 -1.11 0.00 0.00 175.55 175.77 3i2i s ALA 68 N -1.28 3.39 -0.07 3.71 0.00 -0.38 -3.83 121.76 123.30 3i2i s ALA 68 Ca 0.26 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.29 3i2i s ALA 68 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3i2i s ALA 68 CO 0.16 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 176.17 3i2i s VAL 69 N -1.79 1.63 -0.18 0.00 1.01 -0.00 -0.15 120.40 120.92 3i2i s VAL 69 Ca 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3i2i s VAL 69 Cb -0.13 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3i2i s VAL 69 CO 0.19 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 3i2i s VAL 70 N 0.33 2.45 -0.17 2.92 1.01 0.10 -0.74 120.40 126.30 3i2i s VAL 70 Ca -0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3i2i s VAL 70 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3i2i s VAL 70 CO 0.05 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.93 3i2i s ILE 71 N 1.17 3.09 -0.05 2.22 1.01 -0.88 -0.09 121.20 127.68 3i2i s ILE 71 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3i2i s ILE 71 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3i2i s ILE 71 CO -0.07 0.49 -0.17 -1.58 0.00 0.00 0.00 174.94 173.61 3i2i s GLN 72 N 0.82 2.44 -0.12 2.79 0.74 0.03 -1.14 119.66 125.22 3i2i s GLN 72 Ca -0.04 -0.74 -0.29 0.00 0.05 0.00 0.00 55.36 54.34 3i2i s GLN 72 Cb -0.15 -2.31 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 3i2i s GLN 72 CO 0.01 0.60 1.03 -0.51 -0.55 0.00 0.00 175.29 175.87 3i2i s ASP 73 N -0.68 7.21 0.85 6.67 1.01 -0.52 -0.84 116.67 130.36 3i2i s ASP 73 Ca 0.11 1.53 -0.10 0.00 0.71 0.00 0.00 52.55 54.79 3i2i s ASP 73 Cb -0.11 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.37 3i2i s ASP 73 CO 0.00 -0.50 1.11 0.42 0.21 0.00 0.00 175.17 176.42 3i2i s THR 74 N 2.23 2.77 0.01 -1.27 -4.23 -0.78 -4.33 115.64 110.04 3i2i s THR 74 Ca 0.48 0.25 -0.38 0.00 -1.18 0.00 0.00 61.69 60.87 3i2i s THR 74 Cb -0.18 -2.55 -0.17 0.00 1.34 0.00 0.00 72.50 70.94 3i2i s THR 74 CO 0.16 -0.33 1.40 -1.14 -0.54 0.00 0.00 174.62 174.18 3i2i n ARG 75 N -3.86 1.06 -0.51 3.99 0.63 -1.26 -2.68 116.66 114.03 3i2i n ARG 75 Ca 0.10 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 3i2i n ARG 75 Cb 0.53 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.41 3i2i n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2i n GLY 76 N 2.78 0.76 3.31 5.14 0.00 -0.26 -3.82 105.19 113.09 3i2i n GLY 76 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3i2i n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2i s LEU 77 N 0.00 2.11 0.00 0.99 1.43 -1.09 -4.26 118.68 117.87 3i2i s LEU 77 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3i2i s LEU 77 Cb 0.00 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.99 3i2i s LEU 77 CO 0.00 0.26 0.00 0.49 0.23 0.00 0.00 176.35 177.33 3i2i n PHE 78 N 2.10 0.00 1.07 0.29 3.72 -1.26 -1.39 117.46 121.99 3i2i n PHE 78 Ca -0.16 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3i2i n PHE 78 Cb 0.52 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.69 3i2i n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2i n ALA 79 N 11.34 2.32 -1.82 4.37 0.00 -1.26 -4.86 120.51 130.60 3i2i n ALA 79 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 3i2i n ALA 79 Cb 0.00 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 3i2i n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2i s SER 80 N -2.88 7.11 0.86 0.00 0.01 -0.48 -4.40 113.70 113.91 3i2i s SER 80 Ca 0.17 1.73 -0.12 0.00 1.31 0.00 0.00 55.95 59.05 3i2i s SER 80 Cb 0.19 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 64.01 3i2i s SER 80 CO 0.49 -0.21 1.20 -1.61 0.41 0.00 0.00 173.24 173.52 3i2i s GLU 81 N -2.64 1.32 0.31 12.44 2.02 -0.57 -3.98 118.70 127.60 3i2i s GLU 81 Ca 0.56 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.19 3i2i s GLU 81 Cb -0.13 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3i2i s GLU 81 CO 0.18 -1.92 0.00 0.41 0.02 0.00 0.00 175.26 173.95 3i2i n GLY 82 N -3.41 -1.79 3.23 -1.39 0.00 -1.26 -1.10 105.19 99.47 3i2i n GLY 82 Ca 0.12 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 3i2i n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2i s GLU 83 N 0.00 2.58 -0.15 1.61 0.41 -1.26 -4.09 118.70 117.79 3i2i s GLU 83 Ca 0.00 -0.84 -0.26 0.00 -0.41 0.00 0.00 54.97 53.46 3i2i s GLU 83 Cb 0.00 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 3i2i s GLU 83 CO 0.00 0.29 0.87 0.12 -0.49 0.00 0.00 175.26 176.05 3i2i s PHE 84 N 0.05 3.45 -0.04 1.61 5.36 -1.25 -4.45 117.98 122.70 3i2i s PHE 84 Ca -0.09 1.34 -0.00 0.00 -0.96 0.00 0.00 56.93 57.22 3i2i s PHE 84 Cb -0.15 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 3i2i s PHE 84 CO 0.05 -0.23 0.01 0.08 -1.46 0.00 0.00 175.22 173.67 3i2i s VAL 85 N 2.10 0.19 0.20 3.12 1.01 -1.26 -5.06 120.40 120.70 3i2i s VAL 85 Ca 0.41 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 3i2i s VAL 85 Cb -0.17 -0.31 -0.15 0.00 0.00 0.00 0.00 36.38 35.75 3i2i s VAL 85 CO 0.14 0.17 1.19 -2.65 0.00 0.00 0.00 175.10 173.95 3i2i n PRO 86 N 4.43 1.34 0.00 2.72 -0.02 -1.26 -3.71 135.00 138.50 3i2i n PRO 86 Ca -0.21 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i2i n PRO 86 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3i2i n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2i n HIS 87 N 1.44 0.00 0.25 6.00 8.25 -1.26 -4.75 115.22 125.16 3i2i n HIS 87 Ca 0.14 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.74 3i2i n HIS 87 Cb 0.27 0.00 0.57 0.00 1.12 0.00 0.00 29.99 31.94 3i2i n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2i h VAL 88 N 0.00 0.20 -0.01 1.59 -1.51 -1.99 -3.02 116.25 111.51 3i2i h VAL 88 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3i2i h VAL 88 Cb 0.00 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3i2i h VAL 88 CO 0.00 0.08 -0.49 0.47 -1.23 0.00 0.00 177.57 176.40 3i2i n ASP 89 N -3.20 1.13 0.12 4.19 8.00 -1.26 -4.68 116.55 120.85 3i2i n ASP 89 Ca 0.01 -1.06 -0.03 0.00 0.71 0.00 0.00 54.79 54.42 3i2i n ASP 89 Cb 0.37 0.73 0.14 0.00 -0.02 0.00 0.00 41.12 42.33 3i2i n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2i h ASP 90 N 0.86 0.07 0.47 -2.24 3.32 -1.89 -0.77 116.42 116.24 3i2i h ASP 90 Ca 0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3i2i h ASP 90 Cb 0.43 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3i2i h ASP 90 CO 0.00 0.69 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.63 3i2i h GLU 91 N 0.04 -0.65 -0.42 3.56 5.08 -1.78 -1.98 114.58 118.43 3i2i h GLU 91 Ca -0.01 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3i2i h GLU 91 Cb 1.15 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3i2i h GLU 91 CO 0.09 -0.43 -0.00 0.00 -1.00 0.00 0.00 179.01 177.67 3i2i h ALA 92 N -0.15 0.57 -0.41 3.43 0.00 -1.87 -1.86 119.26 118.97 3i2i h ALA 92 Ca -0.06 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3i2i h ALA 92 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i2i h ALA 92 CO 0.09 0.35 -0.16 -0.44 0.00 0.00 0.00 179.25 179.09 3i2i h ASP 93 N 0.58 0.76 -0.27 0.00 3.32 -1.20 -0.97 116.42 118.64 3i2i h ASP 93 Ca 0.12 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3i2i h ASP 93 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3i2i h ASP 93 CO 0.02 0.93 0.02 0.00 -1.72 0.00 0.00 179.24 178.49 3i2i h ALA 94 N 1.14 0.37 -0.22 3.45 0.00 -1.30 -0.67 119.26 122.02 3i2i h ALA 94 Ca 0.11 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i2i h ALA 94 Cb 0.65 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3i2i h ALA 94 CO 0.05 0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.78 3i2i h GLU 95 N 0.27 -0.06 -0.47 0.00 4.81 -1.00 0.16 114.58 118.29 3i2i h GLU 95 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3i2i h GLU 95 Cb 0.39 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3i2i h GLU 95 CO 0.01 -0.04 0.06 -0.44 -0.73 0.00 0.00 179.01 177.87 3i2i h ASP 96 N -0.06 0.69 -0.35 1.04 3.32 -1.15 -1.75 116.42 118.15 3i2i h ASP 96 Ca 0.12 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3i2i h ASP 96 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3i2i h ASP 96 CO -0.26 0.72 -0.17 0.74 -1.72 0.00 0.00 179.24 178.55 3i2i h THR 97 N 0.70 1.29 -0.75 0.35 2.02 -0.57 -2.02 112.91 113.93 3i2i h THR 97 Ca 0.15 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 3i2i h THR 97 Cb 0.34 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3i2i h THR 97 CO 0.01 0.42 0.29 -0.07 0.37 0.00 0.00 175.52 176.54 3i2i h LEU 98 N 0.52 1.04 -0.26 2.58 3.38 -0.51 -0.63 115.31 121.42 3i2i h LEU 98 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i2i h LEU 98 Cb 0.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i2i h LEU 98 CO 0.05 0.93 0.16 0.28 0.09 0.00 0.00 178.44 179.96 3i2i h SER 99 N 1.08 0.31 -0.55 -0.43 0.02 -1.28 -1.14 113.55 111.56 3i2i h SER 99 Ca 0.25 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3i2i h SER 99 Cb 0.22 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3i2i h SER 99 CO -0.02 0.26 0.33 -0.25 -1.14 0.00 0.00 176.83 176.01 3i2i h TRP 100 N 0.34 0.62 -0.22 3.45 7.01 -1.14 -2.59 115.95 123.42 3i2i h TRP 100 Ca 0.10 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.13 3i2i h TRP 100 Cb -0.00 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3i2i h TRP 100 CO -0.05 0.35 0.09 0.82 -2.79 0.00 0.00 178.44 176.87 3i2i h ILE 101 N 0.65 0.97 -0.44 2.65 2.04 -0.79 -2.33 117.51 120.26 3i2i h ILE 101 Ca 0.22 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.11 3i2i h ILE 101 Cb 0.02 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3i2i h ILE 101 CO -0.10 0.04 0.31 -0.07 0.00 0.00 0.00 178.15 178.33 3i2i h LEU 102 N 0.21 0.14 -0.70 1.44 3.38 -0.99 -1.49 115.31 117.29 3i2i h LEU 102 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3i2i h LEU 102 Cb 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3i2i h LEU 102 CO -0.08 0.08 -0.11 -0.33 0.09 0.00 0.00 178.44 178.10 3i2i h GLU 103 N 0.15 0.00 -7.05 1.13 5.08 -1.03 -3.45 114.58 109.41 3i2i h GLU 103 Ca 0.21 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.06 3i2i h GLU 103 Cb 0.62 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.94 3i2i h GLU 103 CO -0.03 0.11 0.46 -0.65 -1.00 0.00 0.00 179.01 177.90 3i2i s GLN 104 N -3.42 3.46 0.40 2.33 -1.52 -0.56 -4.92 119.66 115.42 3i2i s GLN 104 Ca 0.03 1.73 0.16 0.00 -1.95 0.00 0.00 55.36 55.33 3i2i s GLN 104 Cb 0.08 -2.16 1.04 0.00 -0.22 0.00 0.00 33.01 31.75 3i2i s GLN 104 CO 0.63 -0.79 1.82 0.00 -0.25 0.00 0.00 175.29 176.70 3i2i h ALA 105 N 1.51 2.15 -0.02 6.09 0.00 -1.91 -2.65 119.26 124.43 3i2i h ALA 105 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i2i h ALA 105 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i2i h ALA 105 CO 0.58 -0.48 -0.09 -2.67 0.00 0.00 0.00 179.25 176.59 3i2i n TRP 106 N -4.57 0.00 -3.70 0.00 4.27 -1.26 -4.29 117.44 107.89 3i2i n TRP 106 Ca 0.22 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.46 3i2i n TRP 106 Cb 0.74 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.56 3i2i n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2i n ASP 108 N 4.28 1.58 0.00 0.00 5.75 -0.21 -4.70 116.55 123.25 3i2i n ASP 108 Ca -0.15 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3i2i n ASP 108 Cb 0.52 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3i2i n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2i n GLY 109 N 0.94 0.56 3.06 6.12 0.00 -1.26 -4.97 105.19 109.63 3i2i n GLY 109 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3i2i n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2i s ASN 110 N -2.94 3.56 -0.01 1.61 0.01 -1.26 -4.54 114.94 111.37 3i2i s ASN 110 Ca 0.00 -0.93 0.08 0.00 -0.71 0.00 0.00 52.86 51.30 3i2i s ASN 110 Cb 0.00 -1.40 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 3i2i s ASN 110 CO 0.00 -0.10 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.55 3i2i s VAL 111 N 1.28 1.97 0.37 1.60 1.01 0.27 -0.75 120.40 126.16 3i2i s VAL 111 Ca -0.01 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.92 3i2i s VAL 111 Cb -0.16 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3i2i s VAL 111 CO -0.09 0.53 0.12 -0.83 0.00 0.00 0.00 175.10 174.84 3i2i s GLY 112 N -0.65 2.39 0.05 4.51 0.00 0.27 -0.29 107.32 113.59 3i2i s GLY 112 Ca 0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 3i2i s GLY 112 CO -0.01 -1.78 -0.03 1.06 0.00 0.00 0.00 173.10 172.34 3i2i s MET 113 N -3.77 0.55 0.21 2.90 -1.94 -0.93 -0.33 119.30 115.98 3i2i s MET 113 Ca 0.29 -1.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.05 3i2i s MET 113 Cb 0.04 0.15 0.02 0.00 2.01 0.00 0.00 34.83 37.05 3i2i s MET 113 CO 0.15 -0.09 0.50 -0.59 -0.01 0.00 0.00 175.02 174.98 3i2i s PHE 114 N -3.23 0.04 0.00 -0.03 -0.71 -1.23 -1.65 117.98 111.16 3i2i s PHE 114 Ca 0.01 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 3i2i s PHE 114 Cb 0.03 0.32 0.00 0.00 -1.21 0.00 0.00 43.02 42.16 3i2i s PHE 114 CO -0.07 -0.93 0.00 0.41 -1.34 0.00 0.00 175.22 173.29 3i2i n GLY 115 N -0.34 3.32 3.44 1.99 0.00 -1.19 -4.66 105.19 107.76 3i2i n GLY 115 Ca -0.08 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3i2i n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2i s VAL 116 N -2.09 2.62 0.00 1.61 0.11 -1.26 -1.55 120.40 119.84 3i2i s VAL 116 Ca 0.00 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 3i2i s VAL 116 Cb 0.00 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 3i2i s VAL 116 CO 0.00 0.24 0.00 -0.24 -3.33 0.00 0.00 175.10 171.77 3i2i n SER 117 N 1.28 0.00 0.05 3.54 2.88 0.36 -1.15 113.62 120.58 3i2i n SER 117 Ca -0.16 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.38 3i2i n SER 117 Cb 0.52 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.32 3i2i n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2i h TYR 118 N 0.00 0.42 0.00 0.66 5.03 -1.90 0.17 116.97 121.36 3i2i h TYR 118 Ca 0.00 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.27 3i2i h TYR 118 Cb 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.16 3i2i h TYR 118 CO 0.00 0.47 0.00 1.28 -1.32 0.00 0.00 178.16 178.59 3i2i n LEU 119 N -4.28 0.57 -0.08 2.82 4.32 -0.30 -1.89 117.00 118.16 3i2i n LEU 119 Ca 0.01 0.68 -0.22 0.00 -0.02 0.00 0.00 56.01 56.45 3i2i n LEU 119 Cb 0.26 -0.64 -0.12 0.00 -1.62 0.00 0.00 43.42 41.30 3i2i n LEU 119 CO 0.39 -0.65 -0.93 0.61 -1.22 0.00 0.00 177.39 175.58 3i2i n GLY 120 N -0.42 -0.59 0.21 -0.72 0.00 0.37 -4.24 105.19 99.80 3i2i n GLY 120 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3i2i n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2i h VAL 121 N -0.45 0.84 0.00 1.61 2.07 -0.80 -1.81 116.25 117.71 3i2i h VAL 121 Ca -0.48 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3i2i h VAL 121 Cb 1.72 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3i2i h VAL 121 CO -0.13 0.07 -0.00 0.71 0.02 0.00 0.00 177.57 178.25 3i2i h THR 122 N 0.41 0.07 -0.01 2.57 1.35 -1.59 -1.63 112.91 114.08 3i2i h THR 122 Ca 0.25 -0.01 -0.24 0.00 -0.55 0.00 0.00 66.41 65.86 3i2i h THR 122 Cb 0.26 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.70 3i2i h THR 122 CO -0.24 0.00 -0.98 1.56 -0.25 0.00 0.00 175.52 175.61 3i2i h GLN 123 N 0.00 0.56 -0.45 4.72 4.20 -1.50 -0.99 115.11 121.64 3i2i h GLN 123 Ca -0.00 -0.59 -0.08 0.00 0.06 0.00 0.00 58.65 58.04 3i2i h GLN 123 Cb 0.01 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3i2i h GLN 123 CO 0.00 1.21 -0.05 -1.49 -0.67 0.00 0.00 178.83 177.84 3i2i h TRP 124 N 0.32 0.83 -0.11 2.96 4.06 -1.29 0.16 115.95 122.88 3i2i h TRP 124 Ca -0.10 -0.13 -0.11 0.00 2.06 0.00 0.00 58.89 60.61 3i2i h TRP 124 Cb 1.63 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.55 3i2i h TRP 124 CO 0.08 0.80 -0.41 1.96 -3.56 0.00 0.00 178.44 177.30 3i2i h GLN 125 N 0.71 0.24 -0.15 0.49 4.20 -1.44 -2.61 115.11 116.55 3i2i h GLN 125 Ca 0.13 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 3i2i h GLN 125 Cb 0.50 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.29 3i2i h GLN 125 CO 0.03 0.62 -0.58 0.00 -0.67 0.00 0.00 178.83 178.22 3i2i h ALA 126 N 1.37 0.27 -0.28 3.87 0.00 -0.94 -3.33 119.26 120.22 3i2i h ALA 126 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3i2i h ALA 126 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i2i h ALA 126 CO 0.06 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.93 3i2i h ALA 127 N 0.54 1.66 0.00 0.00 0.00 -0.35 -2.72 119.26 118.38 3i2i h ALA 127 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i2i h ALA 127 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i2i h ALA 127 CO 0.12 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.97 3i2i n VAL 128 N -4.41 0.16 0.29 0.00 0.24 -1.01 -2.84 118.33 110.75 3i2i n VAL 128 Ca 0.01 0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.50 3i2i n VAL 128 Cb 0.14 -0.59 0.52 0.00 -1.47 0.00 0.00 33.84 32.43 3i2i n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i2i h SER 129 N 0.00 0.00 -1.50 -1.34 4.64 -1.65 -3.47 113.55 110.23 3i2i h SER 129 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3i2i h SER 129 Cb 0.32 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.32 3i2i h SER 129 CO 0.00 0.00 -0.38 0.61 -0.87 0.00 0.00 176.83 176.19 3i2i n GLY 130 N 0.37 0.94 3.66 -0.77 0.00 -1.13 -4.95 105.19 103.32 3i2i n GLY 130 Ca 0.02 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3i2i n GLY 130 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i2i n VAL 131 N -3.07 0.69 -0.21 1.61 0.31 -1.26 -4.89 118.33 111.51 3i2i n VAL 131 Ca -0.19 -0.14 0.07 0.00 -0.01 0.00 0.00 64.34 64.07 3i2i n VAL 131 Cb 0.61 -2.17 0.35 0.00 -0.91 0.00 0.00 33.84 31.72 3i2i n VAL 131 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i2i h GLY 132 N 10.33 1.03 2.00 2.92 0.00 -1.99 -2.10 103.07 115.27 3i2i h GLY 132 Ca -0.49 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3i2i h GLY 132 CO 0.95 0.21 0.00 -1.33 0.00 0.00 0.00 176.54 176.37 3i2i h GLY 133 N 0.77 0.00 -7.00 4.60 0.00 -1.90 -3.40 103.07 96.13 3i2i h GLY 133 Ca 0.34 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.12 3i2i h GLY 133 CO -0.12 0.00 1.04 -2.27 0.00 0.00 0.00 176.54 175.19 3i2i s LEU 134 N -5.15 3.44 -0.01 3.11 2.96 -0.79 -0.56 118.68 121.67 3i2i s LEU 134 Ca 0.02 0.24 0.20 0.00 -0.22 0.00 0.00 54.13 54.37 3i2i s LEU 134 Cb 0.09 -3.15 -0.27 0.00 0.50 0.00 0.00 46.19 43.36 3i2i s LEU 134 CO 0.42 -1.58 0.66 0.29 -1.32 0.00 0.00 176.35 174.82 3i2i n LYS 135 N 8.51 0.48 -3.58 1.98 4.76 0.60 -4.95 118.16 125.95 3i2i n LYS 135 Ca 0.11 -0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 3i2i n LYS 135 Cb 0.49 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 3i2i n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2i s ALA 136 N -3.17 -1.95 0.24 7.82 0.00 -1.24 -4.21 121.76 119.26 3i2i s ALA 136 Ca 0.00 1.62 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3i2i s ALA 136 Cb 0.14 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 3i2i s ALA 136 CO 0.85 -0.30 -0.03 0.96 0.00 0.00 0.00 175.76 177.23 3i2i s ILE 137 N -1.10 1.28 -0.41 0.00 -4.36 -0.49 -2.20 121.20 113.92 3i2i s ILE 137 Ca -0.01 -2.07 0.06 0.00 -0.26 0.00 0.00 60.65 58.38 3i2i s ILE 137 Cb -0.00 -2.35 0.22 0.00 1.25 0.00 0.00 42.46 41.58 3i2i s ILE 137 CO 0.01 -0.34 0.51 0.00 0.24 0.00 0.00 174.94 175.35 3i2i n ALA 138 N -0.47 1.97 -2.67 2.27 0.00 -0.66 -1.26 120.51 119.69 3i2i n ALA 138 Ca -0.06 -2.99 -0.43 0.00 0.00 0.00 0.00 53.44 49.97 3i2i n ALA 138 Cb 0.63 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 3i2i n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2i s PRO 139 N -0.49 4.31 -0.15 0.00 0.04 -1.14 -3.14 135.00 134.43 3i2i s PRO 139 Ca 0.34 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 3i2i s PRO 139 Cb 0.12 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 3i2i s PRO 139 CO -0.15 -0.49 -0.04 0.45 0.04 0.00 0.00 177.00 176.81 3i2i s SER 140 N 1.17 4.78 -1.24 6.66 0.15 -0.59 -2.49 113.70 122.13 3i2i s SER 140 Ca 0.44 -0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.82 3i2i s SER 140 Cb -0.16 -1.74 -0.00 0.00 -1.71 0.00 0.00 66.02 62.41 3i2i s SER 140 CO 0.10 0.18 0.66 0.23 1.20 0.00 0.00 173.24 175.62 3i2i n MET 141 N 3.43 -1.96 -3.47 5.44 2.81 0.46 -0.49 117.12 123.34 3i2i n MET 141 Ca -0.17 0.42 -0.15 0.00 -1.81 0.00 0.00 57.70 55.98 3i2i n MET 141 Cb 0.53 -4.17 -0.05 0.00 -0.71 0.00 0.00 33.22 28.82 3i2i n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2i n ALA 142 N -4.33 0.38 -3.12 3.04 0.00 -1.26 -3.27 120.51 111.96 3i2i n ALA 142 Ca -0.17 -1.27 -0.12 0.00 0.00 0.00 0.00 53.44 51.87 3i2i n ALA 142 Cb 0.62 0.90 -0.08 0.00 0.00 0.00 0.00 19.45 20.89 3i2i n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i2i s SER 143 N -2.54 -0.16 0.00 0.00 0.15 -1.26 -3.05 113.70 106.84 3i2i s SER 143 Ca 0.16 -0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.86 3i2i s SER 143 Cb 0.01 0.34 0.27 0.00 -1.71 0.00 0.00 66.02 64.93 3i2i s SER 143 CO 0.11 -0.54 1.18 0.00 1.20 0.00 0.00 173.24 175.19 3i2i n ALA 144 N 0.89 2.25 -3.49 5.45 0.00 -1.26 -4.58 120.51 119.76 3i2i n ALA 144 Ca -0.20 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.00 3i2i n ALA 144 Cb 0.58 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 3i2i n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2i s ASP 145 N -0.99 2.04 0.44 0.00 -1.08 -1.26 -0.33 116.67 115.49 3i2i s ASP 145 Ca 0.22 -0.65 0.24 0.00 -0.52 0.00 0.00 52.55 51.84 3i2i s ASP 145 Cb 0.12 0.20 0.89 0.00 -1.46 0.00 0.00 42.92 42.67 3i2i s ASP 145 CO 0.16 -0.37 1.81 -0.07 0.52 0.00 0.00 175.17 177.22 3i2i h LEU 146 N 8.33 0.00 -0.08 -1.34 -0.00 -1.86 -1.45 115.31 118.91 3i2i h LEU 146 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.69 3i2i h LEU 146 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 3i2i h LEU 146 CO 0.33 0.21 -0.05 0.22 -0.00 0.00 0.00 178.44 179.16 3i2i h TYR 147 N 0.00 0.21 -0.05 1.13 5.03 -1.96 -2.77 116.97 118.57 3i2i h TYR 147 Ca -0.00 -0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.13 3i2i h TYR 147 Cb 0.77 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 3i2i h TYR 147 CO 0.00 0.55 -0.52 0.00 -1.32 0.00 0.00 178.16 176.87 3i2i h ARG 148 N -0.20 0.13 -2.20 1.82 3.08 -1.76 0.47 114.38 115.71 3i2i h ARG 148 Ca 0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i2i h ARG 148 Cb 0.50 0.01 -0.22 0.00 0.08 0.00 0.00 29.97 30.34 3i2i h ARG 148 CO 0.01 0.62 -0.00 0.00 -1.07 0.00 0.00 179.97 179.53 3i2i s ALA 149 N -3.88 -1.59 -2.68 0.04 0.00 -0.57 -3.90 121.76 109.18 3i2i s ALA 149 Ca -0.03 1.90 0.22 0.00 0.00 0.00 0.00 51.96 54.05 3i2i s ALA 149 Cb 0.13 -1.11 0.16 0.00 0.00 0.00 0.00 23.12 22.29 3i2i s ALA 149 CO 0.77 -0.31 1.18 -0.35 0.00 0.00 0.00 175.76 177.05 3i2i n PRO 150 N 3.23 2.00 0.06 0.00 -0.04 -1.21 -3.81 135.00 135.23 3i2i n PRO 150 Ca -0.16 -1.74 -0.22 0.00 -0.04 0.00 0.00 63.50 61.33 3i2i n PRO 150 Cb 0.56 -1.42 -0.15 0.00 -0.04 0.00 0.00 33.50 32.46 3i2i n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2i h TRP 151 N 4.15 0.65 0.00 0.54 -0.00 -1.64 -3.43 115.95 116.23 3i2i h TRP 151 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 3i2i h TRP 151 Cb 0.90 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 3i2i h TRP 151 CO 0.00 1.59 0.00 0.66 -0.00 0.00 0.00 178.44 180.69 3i2i n TYR 152 N -3.77 0.00 0.00 0.49 4.02 0.09 -0.18 117.16 117.82 3i2i n TYR 152 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3i2i n TYR 152 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 3i2i n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2i n GLY 153 N 5.00 -0.42 0.25 2.72 0.00 -0.83 -4.29 105.19 107.62 3i2i n GLY 153 Ca 0.00 -1.06 0.17 0.00 0.00 0.00 0.00 46.02 45.13 3i2i n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2i h PRO 154 N 0.00 0.00 -0.01 1.61 0.13 -1.88 -2.36 132.00 129.50 3i2i h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i2i h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i2i h PRO 154 CO 0.00 0.00 -0.45 0.41 -0.23 0.00 0.00 178.00 177.73 3i2i n GLY 155 N -0.71 -0.80 2.09 1.56 0.00 -1.25 -4.95 105.19 101.12 3i2i n GLY 155 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3i2i n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 156 N 1.42 0.22 3.64 -0.02 0.00 -0.89 -1.07 105.19 108.49 3i2i n GLY 156 Ca 0.09 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3i2i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2i s ALA 157 N -2.22 3.16 0.15 4.61 0.00 -1.26 -4.77 121.76 121.42 3i2i s ALA 157 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3i2i s ALA 157 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.71 3i2i s ALA 157 CO 0.00 0.61 1.70 -1.17 0.00 0.00 0.00 175.76 176.89 3i2i s LEU 158 N -1.15 4.38 -1.25 0.00 2.96 -1.26 -3.65 118.68 118.71 3i2i s LEU 158 Ca 0.15 2.70 -0.17 0.00 -0.22 0.00 0.00 54.13 56.59 3i2i s LEU 158 Cb -0.11 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.09 3i2i s LEU 158 CO 0.05 -0.93 1.64 -0.44 -1.32 0.00 0.00 176.35 175.35 3i2i s SER 159 N 1.84 6.87 0.17 3.68 0.01 0.75 -1.18 113.70 125.83 3i2i s SER 159 Ca 0.75 -2.50 -0.10 0.00 1.31 0.00 0.00 55.95 55.41 3i2i s SER 159 Cb -0.45 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.28 3i2i s SER 159 CO 0.33 -1.09 1.60 1.62 0.41 0.00 0.00 173.24 176.11 3i2i h VAL 160 N 5.45 1.27 -0.57 3.43 3.04 -1.68 -2.28 116.25 124.90 3i2i h VAL 160 Ca 0.40 -1.27 -0.08 0.00 -1.01 0.00 0.00 66.70 64.74 3i2i h VAL 160 Cb 0.88 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 3i2i h VAL 160 CO 1.40 0.45 0.04 1.05 -1.01 0.00 0.00 177.57 179.50 3i2i h GLU 161 N 0.93 0.95 -0.33 4.17 -0.00 -1.67 -1.56 114.58 117.07 3i2i h GLU 161 Ca 0.14 -0.26 0.01 0.00 -0.00 0.00 0.00 59.36 59.25 3i2i h GLU 161 Cb 0.68 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 29.30 3i2i h GLU 161 CO 0.05 0.92 0.22 0.00 -0.00 0.00 0.00 179.01 180.19 3i2i h ALA 162 N 1.15 0.42 0.27 1.06 0.00 -1.80 -0.65 119.26 119.71 3i2i h ALA 162 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i2i h ALA 162 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i2i h ALA 162 CO 0.02 -0.12 -0.13 1.25 0.00 0.00 0.00 179.25 180.26 3i2i h LEU 163 N 0.44 -0.31 -0.64 0.00 5.85 -1.12 -1.47 115.31 118.06 3i2i h LEU 163 Ca 0.12 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3i2i h LEU 163 Cb -0.04 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3i2i h LEU 163 CO -0.03 -0.10 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.79 3i2i h LEU 164 N -0.52 0.95 -0.01 2.25 3.38 -1.31 -1.27 115.31 118.78 3i2i h LEU 164 Ca -0.04 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3i2i h LEU 164 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i2i h LEU 164 CO 0.06 1.06 0.00 1.23 0.09 0.00 0.00 178.44 180.89 3i2i h GLY 165 N 0.96 0.02 1.09 0.83 0.00 -1.11 -1.89 103.07 102.96 3i2i h GLY 165 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 3i2i h GLY 165 CO 0.05 0.01 -0.16 -0.25 0.00 0.00 0.00 176.54 176.19 3i2i h TRP 166 N -0.20 1.13 -0.96 5.60 7.01 -1.24 -2.15 115.95 125.13 3i2i h TRP 166 Ca 0.00 -0.25 0.01 0.00 2.11 0.00 0.00 58.89 60.76 3i2i h TRP 166 Cb 0.23 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3i2i h TRP 166 CO 0.00 1.07 0.64 0.77 -2.79 0.00 0.00 178.44 178.13 3i2i h SER 167 N 0.86 1.10 -0.61 2.65 0.02 -1.20 0.97 113.55 117.34 3i2i h SER 167 Ca 0.12 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3i2i h SER 167 Cb 0.73 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3i2i h SER 167 CO 0.06 0.79 0.06 0.00 -1.14 0.00 0.00 176.83 176.60 3i2i h ALA 168 N 1.35 0.91 -0.09 3.77 0.00 -1.20 0.11 119.26 124.12 3i2i h ALA 168 Ca 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i2i h ALA 168 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3i2i h ALA 168 CO -0.08 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.11 3i2i h LEU 169 N 0.98 0.13 -0.34 0.00 5.85 -0.79 -0.49 115.31 120.65 3i2i h LEU 169 Ca 0.19 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3i2i h LEU 169 Cb 0.49 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3i2i h LEU 169 CO 0.02 0.28 0.17 0.40 -0.34 0.00 0.00 178.44 178.97 3i2i h ILE 170 N -0.02 0.98 -0.66 4.05 1.08 -0.72 -1.73 117.51 120.49 3i2i h ILE 170 Ca 0.03 -0.12 0.09 0.00 -0.39 0.00 0.00 64.86 64.47 3i2i h ILE 170 Cb 0.19 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 3i2i h ILE 170 CO -0.00 0.06 0.29 1.23 -0.69 0.00 0.00 178.15 179.05 3i2i h GLY 171 N 0.35 0.96 1.63 5.37 0.00 -0.65 -0.17 103.07 110.55 3i2i h GLY 171 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3i2i h GLY 171 CO -0.10 0.03 0.00 3.21 0.00 0.00 0.00 176.54 179.68 3i2i h ARG 172 N 0.51 0.47 -0.55 4.80 3.08 -0.85 -2.27 114.38 119.57 3i2i h ARG 172 Ca 0.33 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 3i2i h ARG 172 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3i2i h ARG 172 CO -0.28 0.50 0.16 0.78 -1.07 0.00 0.00 179.97 180.06 3i2i h GLY 173 N 0.78 0.92 0.99 0.04 0.00 -0.19 -2.20 103.07 103.41 3i2i h GLY 173 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i2i h GLY 173 CO 0.01 0.52 0.19 1.41 0.00 0.00 0.00 176.54 178.66 3i2i h LEU 174 N 0.76 0.35 0.40 3.11 3.38 -0.66 -2.95 115.31 119.70 3i2i h LEU 174 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i2i h LEU 174 Cb 0.29 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i2i h LEU 174 CO -0.00 0.28 -0.24 0.40 0.09 0.00 0.00 178.44 178.97 3i2i h ILE 175 N 0.39 0.51 0.00 1.22 2.04 -1.36 -3.17 117.51 117.13 3i2i h ILE 175 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3i2i h ILE 175 Cb -0.01 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3i2i h ILE 175 CO -0.02 0.00 0.00 0.74 0.00 0.00 0.00 178.15 178.87 3i2i h THR 176 N -0.60 0.00 -0.01 -0.27 2.02 -1.36 -2.67 112.91 110.01 3i2i h THR 176 Ca -0.04 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3i2i h THR 176 Cb 0.49 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3i2i h THR 176 CO 0.05 0.00 -0.31 -1.54 0.37 0.00 0.00 175.52 174.09 3i2i n SER 177 N -3.05 1.34 -4.72 4.18 3.41 -1.12 -4.93 113.62 108.73 3i2i n SER 177 Ca -0.00 -1.10 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 3i2i n SER 177 Cb 0.25 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3i2i n SER 177 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i2i s ARG 178 N -2.47 4.24 0.02 4.33 0.52 -1.01 -4.92 118.95 119.66 3i2i s ARG 178 Ca 0.23 2.31 -0.29 0.00 -0.52 0.00 0.00 55.73 57.46 3i2i s ARG 178 Cb 0.19 -3.17 -0.16 0.00 0.52 0.00 0.00 34.95 32.33 3i2i s ARG 178 CO 0.53 -0.56 1.20 0.66 0.02 0.00 0.00 175.30 177.14 3i2i h SER 179 N 6.66 -0.86 -3.01 0.23 4.64 -1.91 -3.37 113.55 115.93 3i2i h SER 179 Ca -0.43 0.02 -0.73 0.00 -0.47 0.00 0.00 61.79 60.19 3i2i h SER 179 Cb 1.21 0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 63.30 3i2i h SER 179 CO 0.90 -0.49 -0.02 -1.81 -0.87 0.00 0.00 176.83 174.53 3i2i s ASP 180 N -4.39 6.21 -0.10 4.97 1.11 -1.26 -5.05 116.67 118.17 3i2i s ASP 180 Ca -0.15 -1.65 -0.38 0.00 0.18 0.00 0.00 52.55 50.55 3i2i s ASP 180 Cb 0.02 -2.26 -0.16 0.00 1.07 0.00 0.00 42.92 41.59 3i2i s ASP 180 CO 0.46 -0.99 1.57 0.00 1.18 0.00 0.00 175.17 177.40 3i2i n ALA 181 N 5.78 -0.44 -2.09 5.23 0.00 -1.26 -5.01 120.51 122.72 3i2i n ALA 181 Ca -0.10 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 3i2i n ALA 181 Cb 0.42 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3i2i n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i2i s ARG 182 N 2.18 3.83 0.33 0.00 0.52 -1.26 -4.99 118.95 119.56 3i2i s ARG 182 Ca 0.92 0.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.76 3i2i s ARG 182 Cb -0.99 -2.33 0.61 0.00 0.52 0.00 0.00 34.95 32.76 3i2i s ARG 182 CO 0.56 -0.09 1.97 -1.35 0.02 0.00 0.00 175.30 176.41 3i2i h PRO 183 N 1.21 0.88 0.00 3.54 0.11 -2.06 -2.15 132.00 133.53 3i2i h PRO 183 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i2i h PRO 183 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3i2i h PRO 183 CO 0.63 0.58 0.00 -0.85 -0.21 0.00 0.00 178.00 178.16 3i2i n GLU 184 N -4.46 0.08 -0.09 1.05 0.00 -1.26 -4.22 120.64 111.74 3i2i n GLU 184 Ca 0.10 0.14 -0.06 0.00 0.00 0.00 0.00 57.16 57.34 3i2i n GLU 184 Cb 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 29.97 3i2i n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i2i h ASP 185 N 0.00 -0.52 -0.52 -1.84 3.32 -1.78 -1.14 116.42 113.94 3i2i h ASP 185 Ca 0.00 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3i2i h ASP 185 Cb 0.49 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 3i2i h ASP 185 CO 0.00 -0.19 0.22 0.00 -1.72 0.00 0.00 179.24 177.56 3i2i h ALA 186 N 1.16 0.66 -0.21 3.45 0.00 -1.78 -1.23 119.26 121.32 3i2i h ALA 186 Ca 0.17 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3i2i h ALA 186 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i2i h ALA 186 CO -0.39 -0.16 -0.38 0.00 0.00 0.00 0.00 179.25 178.32 3i2i h ALA 187 N 1.32 0.32 -0.64 0.00 0.00 -1.75 -2.96 119.26 115.56 3i2i h ALA 187 Ca 0.25 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3i2i h ALA 187 Cb 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3i2i h ALA 187 CO -0.22 0.41 0.31 -0.44 0.00 0.00 0.00 179.25 179.32 3i2i h ASP 188 N 0.31 0.42 -0.54 0.00 3.32 -0.98 -1.14 116.42 117.81 3i2i h ASP 188 Ca 0.01 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.17 3i2i h ASP 188 Cb 0.98 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 3i2i h ASP 188 CO 0.09 0.26 0.25 0.15 -1.72 0.00 0.00 179.24 178.26 3i2i h PHE 189 N 0.56 0.44 -0.43 4.55 3.04 -1.18 0.17 116.94 124.09 3i2i h PHE 189 Ca 0.30 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.15 3i2i h PHE 189 Cb 0.28 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 3i2i h PHE 189 CO -0.11 0.19 -0.23 0.28 -2.02 0.00 0.00 178.31 176.42 3i2i h VAL 190 N 0.47 1.27 -0.09 1.41 2.07 -1.28 -1.69 116.25 118.42 3i2i h VAL 190 Ca 0.25 -1.37 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 3i2i h VAL 190 Cb 0.21 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i2i h VAL 190 CO -0.20 0.47 -0.52 1.56 0.02 0.00 0.00 177.57 178.89 3i2i h GLN 191 N 0.76 0.24 -0.53 1.57 1.08 -0.48 -0.39 115.11 117.36 3i2i h GLN 191 Ca 0.10 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 3i2i h GLN 191 Cb 0.78 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 3i2i h GLN 191 CO 0.06 0.70 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.47 3i2i h LEU 192 N 0.19 0.99 -1.05 1.46 3.38 -0.60 -2.43 115.31 117.25 3i2i h LEU 192 Ca 0.00 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3i2i h LEU 192 Cb 0.98 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3i2i h LEU 192 CO 0.08 1.10 0.63 0.00 0.09 0.00 0.00 178.44 180.34 3i2i h ALA 193 N 0.98 1.47 -0.33 1.53 0.00 -0.85 -2.17 119.26 119.89 3i2i h ALA 193 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i2i h ALA 193 Cb 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i2i h ALA 193 CO 0.05 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 3i2i h ALA 194 N 1.49 1.34 -0.16 0.00 0.00 -0.60 0.27 119.26 121.60 3i2i h ALA 194 Ca 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i2i h ALA 194 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i2i h ALA 194 CO -0.19 0.45 0.01 0.82 0.00 0.00 0.00 179.25 180.34 3i2i h ILE 195 N 0.50 1.25 0.00 0.00 2.04 -1.19 -2.90 117.51 117.20 3i2i h ILE 195 Ca 0.10 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3i2i h ILE 195 Cb 0.37 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3i2i h ILE 195 CO 0.02 0.24 -0.25 -0.07 0.00 0.00 0.00 178.15 178.09 3i2i h LEU 196 N 0.04 0.00 0.00 1.44 3.38 -0.67 -2.17 115.31 117.33 3i2i h LEU 196 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i2i h LEU 196 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3i2i h LEU 196 CO 0.01 0.25 -0.07 0.78 0.09 0.00 0.00 178.44 179.50 3i2i h ASN 197 N 0.00 0.00 -1.01 -0.43 2.35 -0.99 -3.39 115.58 112.11 3i2i h ASN 197 Ca -0.00 -0.01 -0.39 0.00 -0.55 0.00 0.00 56.30 55.35 3i2i h ASN 197 Cb 0.47 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 38.58 3i2i h ASN 197 CO 0.03 0.01 -0.79 -0.67 -1.65 0.00 0.00 177.43 174.36 3i2i n ASP 198 N -2.52 -1.43 -0.12 5.81 2.03 -0.87 -5.01 116.55 114.45 3i2i n ASP 198 Ca 0.05 -2.99 -0.08 0.00 0.52 0.00 0.00 54.79 52.29 3i2i n ASP 198 Cb 0.47 0.62 0.08 0.00 -0.72 0.00 0.00 41.12 41.57 3i2i n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2i h VAL 199 N 2.61 1.27 -0.45 5.18 2.07 -1.62 -2.24 116.25 123.07 3i2i h VAL 199 Ca -0.03 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 3i2i h VAL 199 Cb 0.96 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3i2i h VAL 199 CO 0.38 0.43 0.01 0.00 0.02 0.00 0.00 177.57 178.41 3i2i h ALA 200 N 1.07 1.17 0.18 1.67 0.00 -1.95 -0.81 119.26 120.60 3i2i h ALA 200 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i2i h ALA 200 Cb 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i2i h ALA 200 CO 0.05 0.54 -0.09 0.78 0.00 0.00 0.00 179.25 180.53 3i2i h GLY 201 N 0.95 -0.25 1.11 0.00 0.00 -1.87 -1.16 103.07 101.85 3i2i h GLY 201 Ca 0.14 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3i2i h GLY 201 CO 0.02 -0.09 0.50 0.00 0.00 0.00 0.00 176.54 176.96 3i2i h ALA 202 N 0.49 1.59 0.00 3.60 0.00 -1.30 -2.19 119.26 121.45 3i2i h ALA 202 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i2i h ALA 202 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i2i h ALA 202 CO 0.04 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3i2i h ALA 203 N 1.57 1.00 0.00 0.00 0.00 -0.96 -3.21 119.26 117.66 3i2i h ALA 203 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i2i h ALA 203 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i2i h ALA 203 CO -0.09 0.00 -0.14 0.77 0.00 0.00 0.00 179.25 179.79 3i2i h SER 204 N 0.00 0.00 -3.34 0.00 0.02 -0.54 -3.47 113.55 106.23 3i2i h SER 204 Ca 0.00 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 3i2i h SER 204 Cb 0.51 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.09 3i2i h SER 204 CO 0.00 0.01 0.68 0.68 -1.14 0.00 0.00 176.83 177.06 3i2i s VAL 205 N -3.17 3.13 0.01 2.27 -7.23 -1.22 -5.03 120.40 109.18 3i2i s VAL 205 Ca 0.08 0.92 0.08 0.00 -1.81 0.00 0.00 61.98 61.25 3i2i s VAL 205 Cb 0.10 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 3i2i s VAL 205 CO 0.65 0.13 -0.23 0.42 -0.31 0.00 0.00 175.10 175.76 3i2i s THR 206 N 0.21 1.81 0.46 5.32 -4.23 -1.26 -3.21 115.64 114.74 3i2i s THR 206 Ca 0.58 -1.12 -0.24 0.00 -1.18 0.00 0.00 61.69 59.72 3i2i s THR 206 Cb -0.37 -1.54 -0.08 0.00 1.34 0.00 0.00 72.50 71.86 3i2i s THR 206 CO 0.38 0.38 1.35 -2.16 -0.54 0.00 0.00 174.62 174.03 3i2i s PRO 207 N -0.88 3.66 0.40 3.99 0.04 -1.25 -4.80 135.00 136.16 3i2i s PRO 207 Ca 0.09 2.23 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3i2i s PRO 207 Cb -0.09 -2.58 0.81 0.00 0.04 0.00 0.00 34.50 32.68 3i2i s PRO 207 CO 0.01 -0.77 2.01 1.25 0.04 0.00 0.00 177.00 179.54 3i2i h LEU 208 N 2.22 0.44 0.00 -3.56 5.85 -1.23 -2.77 115.31 116.26 3i2i h LEU 208 Ca -0.50 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3i2i h LEU 208 Cb 1.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i2i h LEU 208 CO 0.61 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 3i2i n ALA 209 N -2.48 1.90 -2.77 1.25 0.00 0.04 -4.45 120.51 114.01 3i2i n ALA 209 Ca 0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3i2i n ALA 209 Cb 0.11 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3i2i n ALA 209 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i2i s GLU 210 N -2.93 3.19 -0.52 0.00 2.02 -1.05 -4.95 118.70 114.46 3i2i s GLU 210 Ca 0.11 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.53 3i2i s GLU 210 Cb 0.13 -4.16 0.18 0.00 0.10 0.00 0.00 34.13 30.38 3i2i s GLU 210 CO 0.34 -1.70 0.43 1.04 0.02 0.00 0.00 175.26 175.39 3i2i n GLN 211 N 7.65 0.91 0.20 1.61 1.13 -1.26 -4.95 117.38 122.66 3i2i n GLN 211 Ca -0.02 -3.70 0.04 0.00 -1.94 0.00 0.00 57.00 51.38 3i2i n GLN 211 Cb 0.46 -1.87 0.42 0.00 0.11 0.00 0.00 30.24 29.37 3i2i n GLN 211 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3i2i h PRO 212 N 5.32 0.02 0.00 -1.09 0.13 -1.96 0.31 132.00 134.73 3i2i h PRO 212 Ca 0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3i2i h PRO 212 Cb 0.84 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3i2i h PRO 212 CO 0.52 0.29 -0.13 1.25 -0.23 0.00 0.00 178.00 179.70 3i2i h LEU 213 N 0.02 0.00 -0.59 1.56 5.85 -1.99 -3.27 115.31 116.90 3i2i h LEU 213 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i2i h LEU 213 Cb 0.48 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3i2i h LEU 213 CO 0.04 0.51 0.34 -0.07 -0.34 0.00 0.00 178.44 178.91 3i2i h LEU 214 N -0.89 0.72 -1.77 2.25 3.38 -1.94 -1.42 115.31 115.66 3i2i h LEU 214 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3i2i h LEU 214 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i2i h LEU 214 CO 0.00 0.59 -0.11 1.23 0.09 0.00 0.00 178.44 180.24 3i2i h GLY 215 N 0.80 0.00 0.25 0.83 0.00 -0.55 0.27 103.07 104.67 3i2i h GLY 215 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 3i2i h GLY 215 CO -0.04 0.00 -0.27 -0.09 0.00 0.00 0.00 176.54 176.14 3i2i h ARG 216 N 0.00 0.11 -0.36 4.80 2.43 -1.52 -3.00 114.38 116.84 3i2i h ARG 216 Ca -0.00 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 3i2i h ARG 216 Cb 0.43 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3i2i h ARG 216 CO 0.01 1.06 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.20 3i2i h LEU 217 N -0.76 0.85 -6.65 3.80 3.38 -1.04 -3.40 115.31 111.49 3i2i h LEU 217 Ca -0.05 -0.44 -0.59 0.00 0.09 0.00 0.00 57.88 56.89 3i2i h LEU 217 Cb 1.19 -0.24 -0.39 0.00 0.09 0.00 0.00 40.66 41.31 3i2i h LEU 217 CO 0.05 1.11 -0.84 -0.63 0.09 0.00 0.00 178.44 178.22 3i2i s ILE 218 N -4.48 0.59 0.49 1.22 1.01 0.93 -5.01 121.20 115.94 3i2i s ILE 218 Ca -0.12 -2.22 0.24 0.00 0.00 0.00 0.00 60.65 58.56 3i2i s ILE 218 Cb 0.10 -1.42 0.42 0.00 0.01 0.00 0.00 42.46 41.57 3i2i s ILE 218 CO 0.84 -1.02 1.91 -0.65 0.00 0.00 0.00 174.94 176.02 3i2i h PRO 219 N 6.58 0.15 -1.02 2.79 0.11 -1.69 -1.87 132.00 137.05 3i2i h PRO 219 Ca 0.09 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.47 3i2i h PRO 219 Cb 0.94 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 3i2i h PRO 219 CO 0.36 0.10 0.70 2.35 -0.21 0.00 0.00 178.00 181.30 3i2i h TRP 220 N 0.16 0.29 -0.58 0.65 7.01 -1.91 0.11 115.95 121.68 3i2i h TRP 220 Ca 0.39 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.51 3i2i h TRP 220 Cb 1.29 -0.09 -0.10 0.00 -2.10 0.00 0.00 29.16 28.16 3i2i h TRP 220 CO -0.00 0.04 -0.01 0.28 -2.79 0.00 0.00 178.44 175.96 3i2i h VAL 221 N 0.19 0.52 0.00 2.65 2.07 -1.66 -0.63 116.25 119.39 3i2i h VAL 221 Ca 0.52 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 67.82 3i2i h VAL 221 Cb 1.71 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3i2i h VAL 221 CO -0.13 0.02 -1.16 -0.38 0.02 0.00 0.00 177.57 175.95 3i2i n ILE 222 N -5.28 1.51 -0.23 4.57 2.08 -0.78 -1.33 119.36 119.90 3i2i n ILE 222 Ca 0.08 0.01 0.01 0.00 0.56 0.00 0.00 62.75 63.41 3i2i n ILE 222 Cb 0.32 -2.12 0.13 0.00 -0.75 0.00 0.00 39.64 37.23 3i2i n ILE 222 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3i2i h ASP 223 N -1.00 0.41 0.00 4.38 3.32 -0.78 -0.26 116.42 122.49 3i2i h ASP 223 Ca -0.28 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3i2i h ASP 223 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3i2i h ASP 223 CO -0.17 0.23 -0.74 1.67 -1.72 0.00 0.00 179.24 178.51 3i2i n GLN 224 N -4.90 0.49 0.03 3.56 -0.06 -0.29 -4.62 117.38 111.59 3i2i n GLN 224 Ca 0.10 0.39 -0.02 0.00 -2.00 0.00 0.00 57.00 55.47 3i2i n GLN 224 Cb 0.27 -1.58 -0.01 0.00 -4.06 0.00 0.00 30.24 24.86 3i2i n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2i h VAL 225 N -1.00 0.00 -0.84 1.69 2.07 -1.36 -2.80 116.25 114.01 3i2i h VAL 225 Ca -0.01 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3i2i h VAL 225 Cb 0.73 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3i2i h VAL 225 CO -0.00 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.59 3i2i h VAL 226 N -0.89 1.25 0.00 2.57 2.07 -1.16 -2.81 116.25 117.28 3i2i h VAL 226 Ca -0.02 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3i2i h VAL 226 Cb 0.12 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3i2i h VAL 226 CO 0.03 0.30 -0.08 0.44 0.02 0.00 0.00 177.57 178.27 3i2i h ASP 227 N 1.19 0.00 -2.96 0.57 3.32 -1.17 -3.37 116.42 114.01 3i2i h ASP 227 Ca 0.29 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.67 3i2i h ASP 227 Cb 0.08 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.26 3i2i h ASP 227 CO -0.04 0.08 -0.21 1.41 -1.72 0.00 0.00 179.24 178.76 3i2i n HIS 228 N -3.18 3.68 0.23 4.55 8.25 -1.06 -4.89 115.22 122.81 3i2i n HIS 228 Ca 0.01 -4.01 0.10 0.00 -0.26 0.00 0.00 57.72 53.56 3i2i n HIS 228 Cb 0.40 -0.91 0.52 0.00 1.12 0.00 0.00 29.99 31.12 3i2i n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2i h PRO 229 N 5.37 0.00 -6.65 -0.41 0.13 -1.75 -3.43 132.00 125.25 3i2i h PRO 229 Ca 0.17 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.80 3i2i h PRO 229 Cb 0.74 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 3i2i h PRO 229 CO 0.88 0.22 0.10 -0.51 -0.23 0.00 0.00 178.00 178.46 3i2i s ASP 230 N -6.23 6.90 -0.96 1.44 1.01 -1.26 -4.94 116.67 112.63 3i2i s ASP 230 Ca -0.01 1.34 -0.14 0.00 0.71 0.00 0.00 52.55 54.45 3i2i s ASP 230 Cb 0.11 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.56 3i2i s ASP 230 CO 0.63 -0.09 2.10 -3.20 0.21 0.00 0.00 175.17 174.82 3i2i n ASN 231 N 0.14 4.05 -1.83 0.27 5.15 -0.13 -4.86 115.26 118.05 3i2i n ASN 231 Ca 0.01 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.44 3i2i n ASN 231 Cb 0.52 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 3i2i n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2i n ASP 232 N 5.74 0.00 0.23 1.20 5.68 -1.26 -4.59 116.55 123.55 3i2i n ASP 232 Ca 0.50 -0.70 0.09 0.00 -0.50 0.00 0.00 54.79 54.17 3i2i n ASP 232 Cb 0.28 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.80 3i2i n ASP 232 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i2i h GLU 233 N 0.00 0.00 -1.00 0.11 4.11 -1.98 -1.21 114.58 114.61 3i2i h GLU 233 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 3i2i h GLU 233 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3i2i h GLU 233 CO 0.00 0.23 0.66 0.66 0.07 0.00 0.00 179.01 180.63 3i2i h SER 234 N 0.00 1.11 0.12 3.06 4.64 -1.94 0.13 113.55 120.66 3i2i h SER 234 Ca -0.00 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 3i2i h SER 234 Cb 0.54 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3i2i h SER 234 CO 0.03 0.77 -0.93 -0.50 -0.87 0.00 0.00 176.83 175.33 3i2i h TRP 235 N 1.29 0.85 -0.67 4.77 4.06 -1.62 -3.21 115.95 121.43 3i2i h TRP 235 Ca 0.39 -0.44 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 3i2i h TRP 235 Cb -0.05 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 3i2i h TRP 235 CO -0.00 1.26 0.30 0.37 -3.56 0.00 0.00 178.44 176.81 3i2i h GLN 236 N 0.35 0.96 -0.12 0.49 4.15 -0.96 -2.07 115.11 117.91 3i2i h GLN 236 Ca -0.09 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.23 3i2i h GLN 236 Cb 1.57 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 3i2i h GLN 236 CO 0.18 0.75 0.17 0.77 -1.93 0.00 0.00 178.83 178.77 3i2i h SER 237 N 0.95 0.00 -0.01 -0.69 0.02 -0.75 -2.32 113.55 110.75 3i2i h SER 237 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i2i h SER 237 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3i2i h SER 237 CO -0.03 0.00 -0.20 2.30 -1.14 0.00 0.00 176.83 177.76 3i2i n ILE 238 N -3.58 0.00 -2.66 3.27 -5.35 -0.85 -5.00 119.36 105.19 3i2i n ILE 238 Ca 0.00 -0.40 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 3i2i n ILE 238 Cb 0.28 1.11 -0.05 0.00 -1.74 0.00 0.00 39.64 39.24 3i2i n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2i s SER 239 N -1.32 7.46 -0.01 7.28 0.15 -0.84 -4.75 113.70 121.67 3i2i s SER 239 Ca 0.08 1.96 0.17 0.00 0.70 0.00 0.00 55.95 58.85 3i2i s SER 239 Cb 0.08 -2.60 -0.21 0.00 -1.71 0.00 0.00 66.02 61.57 3i2i s SER 239 CO 0.24 -0.05 0.56 0.18 1.20 0.00 0.00 173.24 175.37 3i2i n LEU 240 N 2.18 0.45 -0.24 3.45 7.99 0.55 -4.77 117.00 126.62 3i2i n LEU 240 Ca 0.01 -0.29 0.01 0.00 -0.01 0.00 0.00 56.01 55.73 3i2i n LEU 240 Cb 0.47 0.00 0.13 0.00 -0.11 0.00 0.00 43.42 43.91 3i2i n LEU 240 CO 0.52 0.11 1.06 0.15 -1.51 0.00 0.00 177.39 177.72 3i2i h PHE 241 N 0.00 0.60 0.00 -1.77 3.57 -1.72 -0.40 116.94 117.21 3i2i h PHE 241 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3i2i h PHE 241 Cb 0.55 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3i2i h PHE 241 CO 0.00 0.21 -0.28 0.93 -2.23 0.00 0.00 178.31 176.94 3i2i h GLU 242 N 0.57 0.00 0.00 1.11 4.39 -1.89 -1.85 114.58 116.91 3i2i h GLU 242 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3i2i h GLU 242 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3i2i h GLU 242 CO -0.27 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 177.86 3i2i h ARG 243 N 0.00 0.00 -0.45 2.33 3.08 -1.41 -3.35 114.38 114.58 3i2i h ARG 243 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3i2i h ARG 243 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3i2i h ARG 243 CO 0.04 0.00 0.01 -0.07 -1.07 0.00 0.00 179.97 178.87 3i2i h LEU 244 N 0.00 0.70 -2.07 3.04 3.38 -1.09 -2.84 115.31 116.42 3i2i h LEU 244 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i2i h LEU 244 Cb 0.67 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i2i h LEU 244 CO 0.00 0.76 -0.02 1.23 0.09 0.00 0.00 178.44 180.50 3i2i h GLY 245 N 0.95 0.00 0.52 0.83 0.00 -1.72 -1.97 103.07 101.68 3i2i h GLY 245 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3i2i h GLY 245 CO 0.02 0.00 -0.14 0.61 0.00 0.00 0.00 176.54 177.03 3i2i n GLY 246 N -1.40 -0.72 3.91 4.60 0.00 -1.07 -4.93 105.19 105.58 3i2i n GLY 246 Ca -0.03 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3i2i n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2i s LEU 247 N -2.40 3.46 -0.31 0.99 1.43 -0.74 -5.01 118.68 116.09 3i2i s LEU 247 Ca 0.30 0.90 0.14 0.00 -1.03 0.00 0.00 54.13 54.43 3i2i s LEU 247 Cb 0.20 -3.82 0.47 0.00 0.03 0.00 0.00 46.19 43.07 3i2i s LEU 247 CO 0.47 -0.77 1.10 0.00 0.23 0.00 0.00 176.35 177.38 3i2i n ALA 248 N -2.42 3.94 -2.80 4.21 0.00 -1.26 -4.79 120.51 117.40 3i2i n ALA 248 Ca 0.02 -3.43 -0.37 0.00 0.00 0.00 0.00 53.44 49.67 3i2i n ALA 248 Cb 0.56 -0.66 -0.11 0.00 0.00 0.00 0.00 19.45 19.24 3i2i n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2i s THR 249 N -4.23 4.88 0.33 0.00 2.01 -1.26 -4.77 115.64 112.60 3i2i s THR 249 Ca 0.38 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 3i2i s THR 249 Cb 0.39 -3.30 -0.12 0.00 0.01 0.00 0.00 72.50 69.49 3i2i s THR 249 CO -0.03 0.31 1.50 -2.65 -0.69 0.00 0.00 174.62 173.06 3i2i n PRO 250 N 4.85 2.58 -4.01 4.92 -0.02 -1.26 -4.80 135.00 137.26 3i2i n PRO 250 Ca -0.15 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 62.05 3i2i n PRO 250 Cb 0.52 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 3i2i n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2i s ALA 251 N -0.64 0.54 -0.50 3.55 0.00 -0.97 -1.40 121.76 122.32 3i2i s ALA 251 Ca 0.58 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 3i2i s ALA 251 Cb -0.50 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.27 3i2i s ALA 251 CO 0.57 -0.11 0.47 -1.17 0.00 0.00 0.00 175.76 175.52 3i2i s LEU 252 N 1.13 5.71 -0.24 0.00 0.20 -0.39 -1.06 118.68 124.02 3i2i s LEU 252 Ca -0.08 -1.43 -0.10 0.00 0.69 0.00 0.00 54.13 53.22 3i2i s LEU 252 Cb -0.14 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 3i2i s LEU 252 CO -0.01 -0.76 0.14 -0.63 -0.29 0.00 0.00 176.35 174.79 3i2i s ILE 253 N 1.80 5.12 -0.01 6.68 1.01 0.33 -2.91 121.20 133.22 3i2i s ILE 253 Ca 0.05 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3i2i s ILE 253 Cb -0.25 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3i2i s ILE 253 CO 0.06 0.35 -0.09 -0.89 0.00 0.00 0.00 174.94 174.37 3i2i s THR 254 N 1.13 3.48 0.20 2.92 2.01 -1.04 -1.17 115.64 123.18 3i2i s THR 254 Ca 0.07 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 3i2i s THR 254 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 3i2i s THR 254 CO 0.05 0.44 0.25 0.00 -0.69 0.00 0.00 174.62 174.67 3i2i s ALA 255 N -0.93 0.53 -0.02 7.40 0.00 -0.25 -0.40 121.76 128.09 3i2i s ALA 255 Ca 0.15 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3i2i s ALA 255 Cb -0.11 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.15 3i2i s ALA 255 CO 0.05 -0.66 -0.11 0.20 0.00 0.00 0.00 175.76 175.24 3i2i s GLY 256 N -3.07 0.60 0.51 0.00 0.00 -1.26 -2.03 107.32 102.06 3i2i s GLY 256 Ca 0.29 -0.46 0.22 0.00 0.00 0.00 0.00 44.72 44.76 3i2i s GLY 256 CO 0.08 -0.28 2.00 1.49 0.00 0.00 0.00 173.10 176.39 3i2i h TRP 257 N 6.10 0.11 -0.38 1.90 -0.00 -0.93 -1.28 115.95 121.46 3i2i h TRP 257 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.56 3i2i h TRP 257 Cb 1.17 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 3i2i h TRP 257 CO 0.42 0.05 0.00 0.66 -0.00 0.00 0.00 178.44 179.57 3i2i n TYR 258 N -4.42 1.24 -3.23 0.49 4.01 -0.54 -4.90 117.16 109.81 3i2i n TYR 258 Ca 0.09 -0.78 -0.39 0.00 -0.16 0.00 0.00 57.90 56.66 3i2i n TYR 258 Cb 0.51 -0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 3i2i n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2i s ASP 259 N -1.47 6.88 0.49 7.72 2.15 -0.48 -4.10 116.67 127.85 3i2i s ASP 259 Ca 0.45 1.05 0.35 0.00 0.43 0.00 0.00 52.55 54.83 3i2i s ASP 259 Cb 0.34 -2.34 1.49 0.00 -0.30 0.00 0.00 42.92 42.11 3i2i s ASP 259 CO 0.13 0.06 1.68 1.23 -0.17 0.00 0.00 175.17 178.09 3i2i h GLY 260 N 6.06 0.66 -0.80 2.66 0.00 -1.84 -1.41 103.07 108.40 3i2i h GLY 260 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3i2i h GLY 260 CO 0.72 -0.17 0.00 0.69 0.00 0.00 0.00 176.54 177.78 3i2i n PHE 261 N -4.37 0.13 -0.13 5.60 3.01 -1.26 -4.61 117.46 115.83 3i2i n PHE 261 Ca 0.35 -0.07 -0.04 0.00 1.01 0.00 0.00 57.45 58.70 3i2i n PHE 261 Cb 1.46 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.97 3i2i n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2i h VAL 262 N 2.49 0.82 -0.30 -4.37 3.04 -1.48 0.31 116.25 116.76 3i2i h VAL 262 Ca 0.00 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.63 3i2i h VAL 262 Cb 0.54 0.52 -0.04 0.00 -2.01 0.00 0.00 31.29 30.31 3i2i h VAL 262 CO 0.00 0.05 0.08 1.23 -1.01 0.00 0.00 177.57 177.92 3i2i h GLY 263 N 0.27 0.35 1.68 3.17 0.00 -1.84 -1.41 103.07 105.30 3i2i h GLY 263 Ca 0.21 -0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 3i2i h GLY 263 CO -0.24 0.01 -0.88 0.83 0.00 0.00 0.00 176.54 176.26 3i2i h GLU 264 N 0.20 0.29 0.30 4.80 4.39 -1.67 -2.10 114.58 120.79 3i2i h GLU 264 Ca 0.13 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3i2i h GLU 264 Cb 0.12 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3i2i h GLU 264 CO -0.16 1.00 -0.23 0.77 -1.16 0.00 0.00 179.01 179.23 3i2i h SER 265 N 0.17 -0.60 -0.85 1.42 0.02 -0.22 -1.95 113.55 111.54 3i2i h SER 265 Ca -0.05 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3i2i h SER 265 Cb 1.50 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 64.17 3i2i h SER 265 CO 0.14 -0.36 0.51 -0.07 -1.14 0.00 0.00 176.83 175.92 3i2i h LEU 266 N -0.54 0.78 -1.64 5.07 3.38 -1.28 -2.05 115.31 119.04 3i2i h LEU 266 Ca -0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3i2i h LEU 266 Cb 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i2i h LEU 266 CO -0.01 0.48 -0.20 0.03 0.09 0.00 0.00 178.44 178.83 3i2i h ARG 267 N 0.91 0.00 -0.17 1.13 3.08 -1.17 -2.18 114.38 115.98 3i2i h ARG 267 Ca 0.38 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.26 3i2i h ARG 267 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3i2i h ARG 267 CO -0.20 0.20 -0.60 1.79 -1.07 0.00 0.00 179.97 180.10 3i2i h THR 268 N 0.00 1.33 -0.35 2.04 1.35 -0.63 -2.23 112.91 114.42 3i2i h THR 268 Ca -0.00 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3i2i h THR 268 Cb 0.39 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3i2i h THR 268 CO 0.03 0.58 0.23 0.15 -0.25 0.00 0.00 175.52 176.25 3i2i h PHE 269 N 0.41 0.45 -0.59 4.73 3.57 -1.14 -2.14 116.94 122.23 3i2i h PHE 269 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3i2i h PHE 269 Cb 1.15 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3i2i h PHE 269 CO 0.05 0.29 0.26 0.28 -2.23 0.00 0.00 178.31 176.96 3i2i h VAL 270 N 0.47 1.20 0.00 1.41 2.07 -1.38 -1.29 116.25 118.74 3i2i h VAL 270 Ca 0.13 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3i2i h VAL 270 Cb -0.04 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3i2i h VAL 270 CO -0.03 0.24 -0.31 0.00 0.02 0.00 0.00 177.57 177.49 3i2i h ALA 271 N 1.46 1.02 0.00 1.67 0.00 -1.05 -3.31 119.26 119.04 3i2i h ALA 271 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i2i h ALA 271 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i2i h ALA 271 CO -0.02 0.39 -1.37 1.33 0.00 0.00 0.00 179.25 179.57 3i2i n VAL 272 N -3.49 0.00 0.28 0.00 0.24 -0.84 -4.21 118.33 110.31 3i2i n VAL 272 Ca -0.00 -0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 3i2i n VAL 272 Cb 0.47 0.37 0.82 0.00 -1.47 0.00 0.00 33.84 34.03 3i2i n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2i h LYS 273 N 0.00 0.00 0.00 7.34 2.10 -1.33 -2.01 116.57 122.66 3i2i h LYS 273 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i2i h LYS 273 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3i2i h LYS 273 CO 0.00 0.02 -0.14 -0.44 -2.00 0.00 0.00 179.45 176.89 3i2i h ASP 274 N 0.00 0.00 0.00 7.07 3.32 -1.84 -3.36 116.42 121.60 3i2i h ASP 274 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i2i h ASP 274 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3i2i h ASP 274 CO 0.00 0.00 -0.99 0.59 -1.72 0.00 0.00 179.24 177.12 3i2i n ASN 275 N -3.00 1.04 -3.91 6.45 3.02 -0.78 -5.04 115.26 113.05 3i2i n ASN 275 Ca 0.04 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 53.97 3i2i n ASN 275 Cb 0.53 1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 40.89 3i2i n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2i s ALA 276 N -2.53 -0.79 -0.68 5.41 0.00 -1.07 -4.68 121.76 117.43 3i2i s ALA 276 Ca 0.02 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 3i2i s ALA 276 Cb 0.10 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 3i2i s ALA 276 CO 0.57 -0.94 1.82 0.34 0.00 0.00 0.00 175.76 177.55 3i2i s ASP 277 N -2.96 5.34 -0.06 0.00 2.15 -1.26 -4.55 116.67 115.33 3i2i s ASP 277 Ca 0.16 0.06 -0.04 0.00 0.43 0.00 0.00 52.55 53.16 3i2i s ASP 277 Cb -0.03 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 3i2i s ASP 277 CO 0.07 -2.38 0.14 0.00 -0.17 0.00 0.00 175.17 172.83 3i2i s ALA 278 N 8.91 3.85 0.09 3.66 0.00 -1.26 -2.30 121.76 134.71 3i2i s ALA 278 Ca 0.65 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.95 3i2i s ALA 278 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 3i2i s ALA 278 CO 0.16 0.68 -0.17 1.03 0.00 0.00 0.00 175.76 177.46 3i2i s ARG 279 N -1.48 0.98 -0.03 0.00 1.81 -0.23 -4.92 118.95 115.09 3i2i s ARG 279 Ca 0.21 -1.09 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 3i2i s ARG 279 Cb -0.12 -1.10 0.02 0.00 -0.45 0.00 0.00 34.95 33.30 3i2i s ARG 279 CO 0.11 0.25 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.76 3i2i s LEU 280 N -1.91 1.51 -0.08 2.53 2.96 -0.18 -0.51 118.68 123.01 3i2i s LEU 280 Ca 0.03 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3i2i s LEU 280 Cb -0.09 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.19 3i2i s LEU 280 CO 0.03 -0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.24 3i2i s VAL 281 N 0.62 1.17 -0.12 1.68 1.01 -0.32 -0.32 120.40 124.12 3i2i s VAL 281 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3i2i s VAL 281 Cb -0.11 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3i2i s VAL 281 CO 0.00 0.37 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 3i2i s VAL 282 N 0.82 0.62 0.54 2.92 1.01 -0.31 -1.09 120.40 124.90 3i2i s VAL 282 Ca -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3i2i s VAL 282 Cb -0.15 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.46 3i2i s VAL 282 CO 0.02 0.17 0.57 -0.83 0.00 0.00 0.00 175.10 175.02 3i2i s GLY 283 N 1.86 2.07 -0.28 4.51 0.00 -0.86 -0.61 107.32 114.02 3i2i s GLY 283 Ca 0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 3i2i s GLY 283 CO -0.07 -1.80 1.85 -1.55 0.00 0.00 0.00 173.10 171.53 3i2i n PRO 284 N -1.95 1.71 -3.56 2.90 -0.04 -1.26 -0.63 135.00 132.18 3i2i n PRO 284 Ca 0.06 -1.47 -0.29 0.00 -0.04 0.00 0.00 63.50 61.77 3i2i n PRO 284 Cb 0.63 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3i2i n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2i s TRP 285 N -1.68 3.48 0.47 0.54 0.51 -1.26 -4.62 118.94 116.38 3i2i s TRP 285 Ca 0.29 0.51 0.08 0.00 -2.12 0.00 0.00 56.10 54.86 3i2i s TRP 285 Cb 0.23 -1.99 0.03 0.00 -0.81 0.00 0.00 33.47 30.93 3i2i s TRP 285 CO 0.01 0.32 0.61 -1.54 -0.51 0.00 0.00 176.95 175.83 3i2i s SER 286 N -2.97 5.38 0.37 2.95 1.04 -0.79 -1.47 113.70 118.21 3i2i s SER 286 Ca 0.41 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 56.27 3i2i s SER 286 Cb -0.11 -0.32 0.70 0.00 0.10 0.00 0.00 66.02 66.38 3i2i s SER 286 CO 0.28 -0.93 1.99 -0.74 0.98 0.00 0.00 173.24 174.82 3i2i h HIS 287 N 0.55 0.65 -0.15 5.02 2.76 -1.77 -2.69 115.15 119.53 3i2i h HIS 287 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3i2i h HIS 287 Cb 1.28 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.03 3i2i h HIS 287 CO 0.45 0.46 0.00 -1.13 -1.30 0.00 0.00 177.93 176.40 3i2i n SER 288 N -4.41 2.28 -3.76 3.26 3.41 -1.26 -4.83 113.62 108.31 3i2i n SER 288 Ca 0.04 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.67 3i2i n SER 288 Cb 0.10 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3i2i n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2i s ASN 289 N -0.91 3.99 -0.21 4.04 2.47 -1.02 -4.93 114.94 118.39 3i2i s ASN 289 Ca 0.16 -1.99 0.15 0.00 0.42 0.00 0.00 52.86 51.60 3i2i s ASN 289 Cb 0.09 -1.00 0.59 0.00 -1.45 0.00 0.00 41.25 39.49 3i2i s ASN 289 CO 0.13 -0.37 1.51 0.18 -3.72 0.00 0.00 177.10 174.83 3i2i n LEU 290 N 4.39 4.37 0.15 3.21 4.32 -1.26 -1.88 117.00 130.30 3i2i n LEU 290 Ca 0.02 -3.09 0.06 0.00 -0.02 0.00 0.00 56.01 52.97 3i2i n LEU 290 Cb 0.40 -0.59 0.06 0.00 -1.62 0.00 0.00 43.42 41.66 3i2i n LEU 290 CO 0.16 0.73 0.48 0.71 -1.22 0.00 0.00 177.39 178.25 3i2i h THR 291 N 2.11 0.51 0.00 -5.08 1.35 -1.92 0.08 112.91 109.97 3i2i h THR 291 Ca 0.04 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3i2i h THR 291 Cb 1.62 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 3i2i h THR 291 CO 0.32 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 3i2i n GLY 292 N 1.20 1.17 3.51 5.82 0.00 -1.26 -3.83 105.19 111.79 3i2i n GLY 292 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3i2i n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2i s ARG 293 N -0.08 3.71 0.26 1.61 0.52 -1.26 -1.06 118.95 122.64 3i2i s ARG 293 Ca 0.00 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 3i2i s ARG 293 Cb 0.00 -3.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3i2i s ARG 293 CO 0.00 0.18 0.06 -0.80 0.02 0.00 0.00 175.30 174.77 3i2i s ASN 294 N 0.54 1.54 0.25 0.23 0.01 -0.28 -4.98 114.94 112.24 3i2i s ASN 294 Ca -0.01 -1.33 -0.04 0.00 -0.71 0.00 0.00 52.86 50.77 3i2i s ASN 294 Cb -0.14 0.08 0.46 0.00 0.41 0.00 0.00 41.25 42.06 3i2i s ASN 294 CO 0.02 -0.65 1.76 0.00 -1.51 0.00 0.00 177.10 176.72 3i2i h ALA 295 N 2.38 1.13 0.00 0.60 0.00 -1.91 -3.08 119.26 118.37 3i2i h ALA 295 Ca -0.39 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i2i h ALA 295 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2i h ALA 295 CO 0.63 -0.12 -0.08 -0.25 0.00 0.00 0.00 179.25 179.44 3i2i n ASP 296 N -4.91 1.32 -3.65 0.00 8.00 -1.26 -5.00 116.55 111.04 3i2i n ASP 296 Ca 0.15 -2.04 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 3i2i n ASP 296 Cb 0.39 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 3i2i n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2i s ARG 297 N -1.08 0.33 -0.12 -1.24 6.06 -1.16 -4.95 118.95 116.78 3i2i s ARG 297 Ca 0.08 1.05 -0.01 0.00 -2.50 0.00 0.00 55.73 54.35 3i2i s ARG 297 Cb 0.07 0.35 -0.02 0.00 0.06 0.00 0.00 34.95 35.41 3i2i s ARG 297 CO 0.01 -0.25 -0.10 0.15 -2.50 0.00 0.00 175.30 172.60 3i2i s LYS 298 N 2.63 3.32 0.00 5.12 3.01 -1.26 -1.13 119.74 131.42 3i2i s LYS 298 Ca -0.02 -0.63 0.23 0.00 -1.01 0.00 0.00 55.97 54.54 3i2i s LYS 298 Cb -0.12 -2.68 0.01 0.00 -1.01 0.00 0.00 37.83 34.03 3i2i s LYS 298 CO -0.13 0.31 1.10 1.19 0.51 0.00 0.00 175.35 178.32 3i2i n PHE 299 N 3.27 0.00 0.00 3.18 3.72 -0.22 -5.03 117.46 122.37 3i2i n PHE 299 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3i2i n PHE 299 Cb 0.53 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3i2i n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2i n GLY 300 N 1.43 1.36 0.26 1.37 0.00 -1.26 -4.40 105.19 103.95 3i2i n GLY 300 Ca 0.09 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.39 3i2i n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2i h ILE 301 N 0.00 0.73 0.00 -0.61 2.10 -1.94 -1.46 117.51 116.32 3i2i h ILE 301 Ca 0.00 -0.36 -0.03 0.00 1.08 0.00 0.00 64.86 65.55 3i2i h ILE 301 Cb 0.00 1.22 -0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3i2i h ILE 301 CO 0.00 0.09 -0.14 0.00 -1.08 0.00 0.00 178.15 177.02 3i2i h ALA 302 N 1.91 1.29 0.00 0.18 0.00 -1.97 -2.87 119.26 117.81 3i2i h ALA 302 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i2i h ALA 302 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i2i h ALA 302 CO 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 3i2i h ALA 303 N 1.86 1.00 -2.46 0.00 0.00 -1.47 -3.46 119.26 114.73 3i2i h ALA 303 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 3i2i h ALA 303 Cb 0.38 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.23 3i2i h ALA 303 CO 0.02 0.00 0.89 2.41 0.00 0.00 0.00 179.25 182.57 3i2i n THR 304 N -2.71 0.06 -1.36 0.00 -1.04 -1.08 -4.45 114.28 103.71 3i2i n THR 304 Ca 0.05 -0.02 -0.60 0.00 -2.04 0.00 0.00 64.05 61.44 3i2i n THR 304 Cb 0.48 -1.74 -0.11 0.00 -1.82 0.00 0.00 70.33 67.14 3i2i n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2i n TYR 305 N 3.56 1.32 -2.56 -1.42 9.36 0.01 -4.75 117.16 122.68 3i2i n TYR 305 Ca 0.16 0.78 -0.43 0.00 3.32 0.00 0.00 57.90 61.72 3i2i n TYR 305 Cb 0.32 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 3i2i n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i2i n PRO 306 N 6.98 3.23 -0.26 2.98 -0.04 -1.26 -4.83 135.00 141.81 3i2i n PRO 306 Ca 0.49 -3.37 0.01 0.00 -0.04 0.00 0.00 63.50 60.59 3i2i n PRO 306 Cb -0.01 -3.31 0.22 0.00 -0.04 0.00 0.00 33.50 30.36 3i2i n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3i2i h ILE 307 N 5.00 1.18 -0.12 0.52 2.10 -1.89 -0.33 117.51 123.97 3i2i h ILE 307 Ca 0.42 -0.37 -0.07 0.00 1.08 0.00 0.00 64.86 65.92 3i2i h ILE 307 Cb 0.83 0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3i2i h ILE 307 CO 1.46 0.20 -0.20 -0.61 -1.08 0.00 0.00 178.15 177.92 3i2i h GLN 308 N 1.08 0.35 -0.70 2.19 5.75 -1.93 -1.15 115.11 120.69 3i2i h GLN 308 Ca 0.31 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 3i2i h GLN 308 Cb -0.07 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 3i2i h GLN 308 CO -0.08 0.80 0.38 0.93 -2.65 0.00 0.00 178.83 178.21 3i2i h GLU 309 N -0.07 0.66 -0.74 1.69 5.08 -1.91 -0.82 114.58 118.48 3i2i h GLU 309 Ca 0.01 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3i2i h GLU 309 Cb 0.77 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3i2i h GLU 309 CO 0.05 0.44 0.45 0.00 -1.00 0.00 0.00 179.01 178.95 3i2i h ALA 310 N 1.38 0.98 -0.35 3.43 0.00 -1.02 -0.82 119.26 122.86 3i2i h ALA 310 Ca 0.32 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3i2i h ALA 310 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3i2i h ALA 310 CO -0.21 0.21 0.19 1.15 0.00 0.00 0.00 179.25 180.59 3i2i h THR 311 N 0.86 1.01 -0.62 0.00 2.02 -0.27 -0.15 112.91 115.76 3i2i h THR 311 Ca 0.31 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 3i2i h THR 311 Cb 0.08 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3i2i h THR 311 CO -0.14 0.07 0.31 0.74 0.37 0.00 0.00 175.52 176.88 3i2i h THR 312 N 0.39 1.21 -0.25 3.16 2.02 -0.89 -0.57 112.91 117.97 3i2i h THR 312 Ca 0.14 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3i2i h THR 312 Cb 0.03 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3i2i h THR 312 CO -0.08 0.24 0.08 -0.03 0.37 0.00 0.00 175.52 176.10 3i2i h MET 313 N 0.84 0.39 -0.59 6.66 -1.53 -0.95 -0.49 114.93 119.27 3i2i h MET 313 Ca 0.21 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.41 3i2i h MET 313 Cb 0.09 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 3i2i h MET 313 CO -0.03 0.46 0.37 0.45 0.14 0.00 0.00 176.91 178.30 3i2i h HIS 314 N 0.24 0.69 -0.44 1.39 3.86 -0.85 0.52 115.15 120.57 3i2i h HIS 314 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3i2i h HIS 314 Cb 0.24 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3i2i h HIS 314 CO 0.00 0.41 0.22 -0.22 0.86 0.00 0.00 177.93 179.21 3i2i h LYS 315 N 0.74 0.62 -0.38 2.45 3.64 -0.97 0.16 116.57 122.82 3i2i h LYS 315 Ca 0.23 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3i2i h LYS 315 Cb -0.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3i2i h LYS 315 CO -0.08 0.51 0.18 0.00 -2.27 0.00 0.00 179.45 177.79 3i2i h ALA 316 N 1.07 0.47 -0.16 5.00 0.00 -0.67 0.36 119.26 125.33 3i2i h ALA 316 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3i2i h ALA 316 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i2i h ALA 316 CO -0.02 -0.19 0.03 0.35 0.00 0.00 0.00 179.25 179.42 3i2i h PHE 317 N 0.37 0.06 -0.07 0.00 3.57 -0.62 -0.88 116.94 119.38 3i2i h PHE 317 Ca 0.17 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 3i2i h PHE 317 Cb 0.09 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3i2i h PHE 317 CO -0.11 0.02 -0.56 0.74 -2.23 0.00 0.00 178.31 176.18 3i2i h PHE 318 N 0.10 0.26 -0.67 0.41 0.04 -0.44 -2.34 116.94 114.30 3i2i h PHE 318 Ca 0.07 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3i2i h PHE 318 Cb 0.06 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3i2i h PHE 318 CO -0.13 0.72 0.32 -0.44 -0.60 0.00 0.00 178.31 178.18 3i2i h ASP 319 N 0.16 0.88 0.03 2.17 3.32 0.05 0.27 116.42 123.30 3i2i h ASP 319 Ca -0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3i2i h ASP 319 Cb 1.03 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3i2i h ASP 319 CO 0.08 0.77 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.27 3i2i h ARG 320 N 0.94 -0.04 0.00 3.56 9.65 -1.06 -2.00 114.38 125.43 3i2i h ARG 320 Ca 0.23 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.00 3i2i h ARG 320 Cb 0.12 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3i2i h ARG 320 CO -0.03 -0.02 -1.83 0.72 2.80 0.00 0.00 179.97 181.60 3i2i n HIS 321 N -5.11 0.32 -0.03 2.20 8.25 -0.89 -2.99 115.22 116.97 3i2i n HIS 321 Ca -0.07 0.10 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 3i2i n HIS 321 Cb 0.05 -0.78 -0.12 0.00 1.12 0.00 0.00 29.99 30.25 3i2i n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2i n LEU 322 N -2.54 0.00 -0.47 2.41 4.32 0.93 -4.59 117.00 117.06 3i2i n LEU 322 Ca -0.11 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 55.93 3i2i n LEU 322 Cb 0.74 0.15 0.09 0.00 -1.62 0.00 0.00 43.42 42.78 3i2i n LEU 322 CO 0.44 0.15 0.52 0.54 -1.22 0.00 0.00 177.39 177.82 3i2i n ARG 323 N -2.26 1.87 -1.27 3.23 1.74 -1.00 -4.85 116.66 114.12 3i2i n ARG 323 Ca -0.12 -1.60 -0.09 0.00 -0.77 0.00 0.00 57.85 55.27 3i2i n ARG 323 Cb 0.65 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 3i2i n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2i n GLY 324 N 0.41 1.00 3.57 -0.13 0.00 -1.14 -4.92 105.19 103.98 3i2i n GLY 324 Ca 0.08 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3i2i n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2i s GLU 325 N -2.60 3.44 0.57 1.61 2.02 -0.79 -4.84 118.70 118.12 3i2i s GLU 325 Ca 0.00 -1.20 0.28 0.00 0.02 0.00 0.00 54.97 54.07 3i2i s GLU 325 Cb 0.00 -5.35 1.50 0.00 0.10 0.00 0.00 34.13 30.38 3i2i s GLU 325 CO 0.00 -2.53 1.99 1.79 0.02 0.00 0.00 175.26 176.53 3i2i h THR 326 N 6.54 0.53 -0.46 3.63 1.35 -1.87 -1.34 112.91 121.28 3i2i h THR 326 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3i2i h THR 326 Cb 0.97 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3i2i h THR 326 CO 1.39 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.13 3i2i n ASP 327 N -3.98 3.54 0.09 5.36 8.00 -1.26 -4.62 116.55 123.68 3i2i n ASP 327 Ca 0.07 -1.98 0.09 0.00 0.71 0.00 0.00 54.79 53.68 3i2i n ASP 327 Cb 0.55 -0.30 0.56 0.00 -0.02 0.00 0.00 41.12 41.91 3i2i n ASP 327 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2i h ALA 328 N 4.29 1.97 -0.59 2.24 0.00 -1.55 -1.98 119.26 123.64 3i2i h ALA 328 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i2i h ALA 328 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i2i h ALA 328 CO 0.00 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3i2i n LEU 329 N -4.49 4.82 -4.68 0.00 4.77 -1.26 -4.82 117.00 111.33 3i2i n LEU 329 Ca 0.03 -2.43 -0.45 0.00 -0.03 0.00 0.00 56.01 53.12 3i2i n LEU 329 Cb 0.19 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3i2i n LEU 329 CO 0.35 0.71 1.18 0.00 -1.33 0.00 0.00 177.39 178.30 3i2i n ALA 330 N 0.91 1.65 -0.87 -1.18 0.00 -0.75 -1.49 120.51 118.78 3i2i n ALA 330 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3i2i n ALA 330 Cb 0.94 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3i2i n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2i n GLY 331 N 3.06 0.47 3.68 0.00 0.00 -1.26 -5.00 105.19 106.14 3i2i n GLY 331 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3i2i n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2i s VAL 332 N -2.29 5.08 0.69 1.61 1.01 -0.55 -5.05 120.40 120.89 3i2i s VAL 332 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 3i2i s VAL 332 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3i2i s VAL 332 CO 0.00 0.20 1.11 -2.16 0.00 0.00 0.00 175.10 174.25 3i2i s PRO 333 N 1.37 2.63 0.14 2.72 0.04 -1.26 -4.94 135.00 135.69 3i2i s PRO 333 Ca 0.29 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 3i2i s PRO 333 Cb -0.16 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3i2i s PRO 333 CO 0.12 -1.38 1.54 -0.22 0.04 0.00 0.00 177.00 177.10 3i2i h LYS 334 N -0.26 0.87 -4.17 4.56 1.63 -1.89 -3.45 116.57 113.86 3i2i h LYS 334 Ca -0.46 -0.34 -0.40 0.00 -0.85 0.00 0.00 60.65 58.60 3i2i h LYS 334 Cb 1.25 -0.04 -0.32 0.00 -0.60 0.00 0.00 32.23 32.51 3i2i h LYS 334 CO 0.53 0.98 -0.77 0.08 -3.45 0.00 0.00 179.45 176.82 3i2i s VAL 335 N -4.77 0.57 -0.14 2.00 1.01 -1.06 -1.01 120.40 117.00 3i2i s VAL 335 Ca -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3i2i s VAL 335 Cb 0.11 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.97 3i2i s VAL 335 CO 0.84 0.21 -0.02 -0.60 0.00 0.00 0.00 175.10 175.53 3i2i s ARG 336 N 0.62 1.07 0.00 2.72 3.52 0.56 -0.50 118.95 126.95 3i2i s ARG 336 Ca -0.08 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.32 3i2i s ARG 336 Cb -0.12 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 3i2i s ARG 336 CO 0.00 -0.41 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.32 3i2i s LEU 337 N 1.78 2.09 -0.40 -0.88 1.43 -0.08 -1.16 118.68 121.46 3i2i s LEU 337 Ca 0.02 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 3i2i s LEU 337 Cb -0.14 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3i2i s LEU 337 CO -0.07 0.29 0.79 0.12 0.23 0.00 0.00 176.35 177.71 3i2i s PHE 338 N -0.67 3.06 -0.37 0.29 5.36 0.22 0.25 117.98 126.13 3i2i s PHE 338 Ca 0.10 0.42 -0.21 0.00 -0.96 0.00 0.00 56.93 56.27 3i2i s PHE 338 Cb -0.10 -3.51 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 3i2i s PHE 338 CO 0.00 -0.83 0.69 0.08 -1.46 0.00 0.00 175.22 173.70 3i2i s VAL 339 N 3.19 4.82 0.69 3.12 1.01 0.38 -4.76 120.40 128.85 3i2i s VAL 339 Ca 0.31 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 3i2i s VAL 339 Cb -0.13 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3i2i s VAL 339 CO 0.19 -0.41 1.07 -0.04 0.00 0.00 0.00 175.10 175.92 3i2i s MET 340 N 2.87 2.99 0.00 2.72 1.00 0.09 -0.93 119.30 128.05 3i2i s MET 340 Ca 0.27 0.65 0.00 0.00 0.00 0.00 0.00 55.69 56.60 3i2i s MET 340 Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 34.83 32.67 3i2i s MET 340 CO 0.16 -0.98 0.00 0.41 0.00 0.00 0.00 175.02 174.61 3i2i n GLY 341 N -2.65 1.97 0.22 -0.03 0.00 -1.26 -0.34 105.19 103.10 3i2i n GLY 341 Ca 0.07 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3i2i n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2i h ILE 342 N 0.00 0.00 -6.04 -0.61 3.07 -1.78 -3.48 117.51 108.67 3i2i h ILE 342 Ca 0.00 -0.61 -0.39 0.00 1.55 0.00 0.00 64.86 65.41 3i2i h ILE 342 Cb 0.00 1.57 0.10 0.00 -0.27 0.00 0.00 36.82 38.22 3i2i h ILE 342 CO 0.00 0.00 -0.89 0.47 -1.05 0.00 0.00 178.15 176.68 3i2i n ASP 343 N -2.87 -4.33 -3.90 2.16 8.00 -0.11 -5.00 116.55 110.50 3i2i n ASP 343 Ca 0.02 -0.90 -0.11 0.00 0.71 0.00 0.00 54.79 54.51 3i2i n ASP 343 Cb 0.38 -3.92 -0.13 0.00 -0.02 0.00 0.00 41.12 37.42 3i2i n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2i s GLU 344 N -5.67 0.09 0.29 -1.24 2.02 -0.63 -4.97 118.70 108.59 3i2i s GLU 344 Ca 0.33 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 3i2i s GLU 344 Cb -0.10 0.02 -0.10 0.00 0.10 0.00 0.00 34.13 34.05 3i2i s GLU 344 CO 0.82 -0.01 1.24 -1.58 0.02 0.00 0.00 175.26 175.76 3i2i s TRP 345 N -0.39 3.26 -0.01 1.61 0.52 -1.26 -0.47 118.94 122.19 3i2i s TRP 345 Ca -0.04 1.46 -0.01 0.00 0.02 0.00 0.00 56.10 57.54 3i2i s TRP 345 Cb -0.03 -3.54 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 3i2i s TRP 345 CO -0.00 -1.45 0.03 0.50 0.02 0.00 0.00 176.95 176.05 3i2i s ARG 346 N -1.31 0.01 0.30 4.98 3.52 0.14 -4.91 118.95 121.67 3i2i s ARG 346 Ca 0.49 0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.91 3i2i s ARG 346 Cb -0.37 -0.07 -0.09 0.00 -1.56 0.00 0.00 34.95 32.86 3i2i s ARG 346 CO 0.46 -0.06 0.98 -0.51 -0.81 0.00 0.00 175.30 175.36 3i2i s ASP 347 N 0.36 7.36 0.08 -2.12 1.01 -1.26 -0.90 116.67 121.20 3i2i s ASP 347 Ca -0.03 1.96 0.01 0.00 0.71 0.00 0.00 52.55 55.20 3i2i s ASP 347 Cb -0.04 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3i2i s ASP 347 CO -0.01 -0.06 -0.05 -1.61 0.21 0.00 0.00 175.17 173.65 3i2i s GLU 348 N -1.73 0.76 0.05 8.23 0.41 0.35 -4.96 118.70 121.81 3i2i s GLU 348 Ca 0.47 -1.30 0.24 0.00 -0.41 0.00 0.00 54.97 53.97 3i2i s GLU 348 Cb -0.23 -0.05 0.26 0.00 -1.78 0.00 0.00 34.13 32.32 3i2i s GLU 348 CO 0.29 -0.06 1.22 0.25 -0.49 0.00 0.00 175.26 176.48 3i2i n THR 349 N 0.01 0.17 -3.48 3.63 -2.24 -1.26 -2.57 114.28 108.53 3i2i n THR 349 Ca -0.13 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 3i2i n THR 349 Cb 0.61 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3i2i n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2i s ASP 350 N -3.69 -0.44 -0.05 3.42 2.15 -1.26 -4.78 116.67 112.01 3i2i s ASP 350 Ca 0.07 -0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.03 3i2i s ASP 350 Cb 0.15 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.27 3i2i s ASP 350 CO 0.75 -0.78 -0.04 0.86 -0.17 0.00 0.00 175.17 175.79 3i2i s TRP 351 N -3.39 0.79 0.84 -5.34 -0.11 -1.26 -3.55 118.94 106.92 3i2i s TRP 351 Ca 0.04 -0.23 -0.14 0.00 1.22 0.00 0.00 56.10 56.98 3i2i s TRP 351 Cb -0.01 -0.73 0.02 0.00 -1.50 0.00 0.00 33.47 31.26 3i2i s TRP 351 CO -0.10 -0.23 0.63 -2.30 -4.62 0.00 0.00 176.95 170.32 3i2i n PRO 352 N 4.27 0.01 -2.04 5.86 -0.02 -1.26 -4.75 135.00 137.07 3i2i n PRO 352 Ca -0.21 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 60.91 3i2i n PRO 352 Cb 0.51 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3i2i n PRO 352 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2i s LEU 353 N -1.82 4.39 0.63 2.45 1.02 -1.23 -4.90 118.68 119.21 3i2i s LEU 353 Ca 0.63 2.59 0.39 0.00 0.02 0.00 0.00 54.13 57.77 3i2i s LEU 353 Cb -0.28 -3.61 2.14 0.00 0.02 0.00 0.00 46.19 44.46 3i2i s LEU 353 CO 0.61 -0.70 2.29 -0.65 0.02 0.00 0.00 176.35 177.92 3i2i h PRO 354 N 5.56 0.00 -0.51 1.29 0.11 -1.98 -2.87 132.00 133.60 3i2i h PRO 354 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 3i2i h PRO 354 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 3i2i h PRO 354 CO 0.81 0.01 0.13 -0.25 -0.21 0.00 0.00 178.00 178.48 3i2i n ASP 355 N -3.30 3.81 -4.66 -2.05 8.00 -1.26 -5.01 116.55 112.08 3i2i n ASP 355 Ca -0.03 -3.35 -0.42 0.00 0.71 0.00 0.00 54.79 51.70 3i2i n ASP 355 Cb 0.11 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 3i2i n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i2i s THR 356 N -3.05 3.73 -0.55 -3.53 2.01 -1.09 -4.78 115.64 108.39 3i2i s THR 356 Ca 0.49 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 63.18 3i2i s THR 356 Cb 0.41 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 69.41 3i2i s THR 356 CO 0.08 -0.10 0.66 0.00 -0.69 0.00 0.00 174.62 174.58 3i2i s ALA 357 N 4.03 3.40 -0.67 7.40 0.00 -0.21 -4.91 121.76 130.81 3i2i s ALA 357 Ca 0.69 -1.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 3i2i s ALA 357 Cb -0.30 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.39 3i2i s ALA 357 CO 0.26 -2.18 1.48 0.71 0.00 0.00 0.00 175.76 176.04 3i2i s TYR 358 N 2.65 2.10 -0.19 0.00 2.02 -1.26 -1.03 117.35 121.63 3i2i s TYR 358 Ca 0.13 0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 57.11 3i2i s TYR 358 Cb -0.22 -4.42 -0.01 0.00 -0.40 0.00 0.00 41.96 36.91 3i2i s TYR 358 CO 0.09 -2.13 -0.08 0.99 -1.57 0.00 0.00 175.55 172.86 3i2i s THR 359 N 6.78 3.20 0.16 -0.71 2.01 0.09 -4.87 115.64 122.31 3i2i s THR 359 Ca 0.48 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 3i2i s THR 359 Cb -0.10 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 3i2i s THR 359 CO 0.19 0.46 1.36 -2.84 -0.69 0.00 0.00 174.62 173.09 3i2i s PRO 360 N 1.16 4.35 -0.23 4.92 0.02 -1.26 -0.38 135.00 143.57 3i2i s PRO 360 Ca 0.02 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 3i2i s PRO 360 Cb -0.14 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.18 3i2i s PRO 360 CO -0.02 -0.35 -0.08 -0.06 -0.33 0.00 0.00 177.00 176.15 3i2i s PHE 361 N 0.60 3.01 0.16 6.54 0.40 0.71 -4.46 117.98 124.93 3i2i s PHE 361 Ca 0.61 -1.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.27 3i2i s PHE 361 Cb -0.37 -2.04 -0.07 0.00 0.51 0.00 0.00 43.02 41.05 3i2i s PHE 361 CO 0.35 -0.72 0.62 0.71 0.70 0.00 0.00 175.22 176.87 3i2i s TYR 362 N 1.34 3.66 0.35 0.36 2.02 0.17 -1.11 117.35 124.14 3i2i s TYR 362 Ca 0.02 1.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.67 3i2i s TYR 362 Cb -0.16 -2.48 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 3i2i s TYR 362 CO -0.06 0.42 1.10 -0.51 -1.57 0.00 0.00 175.55 174.93 3i2i s LEU 363 N -1.81 4.31 0.00 -1.29 1.43 -0.63 -1.95 118.68 118.73 3i2i s LEU 363 Ca 0.38 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3i2i s LEU 363 Cb -0.16 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.12 3i2i s LEU 363 CO 0.20 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3i2i n GLY 364 N 0.72 2.07 0.00 -3.19 0.00 -0.17 -4.55 105.19 100.07 3i2i n GLY 364 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i2i n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 365 N 0.00 3.36 3.78 -0.02 0.00 -1.26 -0.77 105.19 110.28 3i2i n GLY 365 Ca 0.00 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3i2i n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2i s SER 366 N 0.00 7.30 0.31 1.61 0.01 -1.25 -4.93 113.70 116.75 3i2i s SER 366 Ca 0.00 1.54 0.00 0.00 1.31 0.00 0.00 55.95 58.80 3i2i s SER 366 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3i2i s SER 366 CO 0.00 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3i2i n GLY 367 N 1.65 -0.15 3.85 3.44 0.00 -1.26 -4.13 105.19 108.59 3i2i n GLY 367 Ca -0.07 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 3i2i n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2i s ALA 368 N -1.31 3.73 -2.53 4.61 0.00 -1.26 -4.82 121.76 120.18 3i2i s ALA 368 Ca 0.00 -0.31 0.26 0.00 0.00 0.00 0.00 51.96 51.92 3i2i s ALA 368 Cb 0.00 -2.31 0.87 0.00 0.00 0.00 0.00 23.12 21.68 3i2i s ALA 368 CO 0.00 0.52 1.64 0.00 0.00 0.00 0.00 175.76 177.92 3i2i n ALA 369 N 1.61 2.55 -1.69 0.00 0.00 -1.26 -0.20 120.51 121.51 3i2i n ALA 369 Ca -0.13 -0.51 -0.44 0.00 0.00 0.00 0.00 53.44 52.36 3i2i n ALA 369 Cb 0.53 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 3i2i n ALA 369 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i2i n ASN 370 N 0.40 3.25 -0.82 0.00 4.13 -1.26 -1.21 115.26 119.73 3i2i n ASN 370 Ca 0.18 1.12 0.10 0.00 1.68 0.00 0.00 54.58 57.66 3i2i n ASN 370 Cb 0.39 -1.49 -0.05 0.00 -1.54 0.00 0.00 39.78 37.09 3i2i n ASN 370 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3i2i n THR 371 N 2.52 -0.41 0.31 3.41 -2.24 -0.29 -3.26 114.28 114.32 3i2i n THR 371 Ca 0.12 0.48 0.20 0.00 -2.27 0.00 0.00 64.05 62.59 3i2i n THR 371 Cb 0.33 -0.76 0.99 0.00 -2.10 0.00 0.00 70.33 68.79 3i2i n THR 371 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3i2i h SER 372 N -0.81 0.00 -0.68 3.42 4.64 -1.34 -2.49 113.55 116.29 3i2i h SER 372 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3i2i h SER 372 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3i2i h SER 372 CO 0.04 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.36 3i2i n THR 373 N -3.15 1.64 -0.91 2.95 -2.24 -1.26 -4.94 114.28 106.37 3i2i n THR 373 Ca -0.02 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 3i2i n THR 373 Cb 0.17 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3i2i n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2i n GLY 374 N 1.28 -1.31 0.92 3.38 0.00 -0.94 -5.01 105.19 103.51 3i2i n GLY 374 Ca 0.26 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.75 3i2i n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 375 N 4.63 1.17 3.74 -0.02 0.00 0.72 -4.94 105.19 110.50 3i2i n GLY 375 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3i2i n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 376 N 1.35 1.33 3.31 -0.02 0.00 -1.22 -3.89 105.19 106.04 3i2i n GLY 376 Ca 0.18 0.49 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 3i2i n GLY 376 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2i s THR 377 N 0.17 1.57 0.04 2.61 -4.23 0.05 -2.36 115.64 113.51 3i2i s THR 377 Ca 0.66 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3i2i s THR 377 Cb -0.51 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 3i2i s THR 377 CO 0.46 -0.53 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.98 3i2i s LEU 378 N -3.00 2.17 -0.06 4.79 1.43 0.84 -1.00 118.68 123.85 3i2i s LEU 378 Ca 0.17 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 3i2i s LEU 378 Cb -0.02 -1.29 0.06 0.00 0.03 0.00 0.00 46.19 44.97 3i2i s LEU 378 CO 0.05 0.26 0.63 -0.55 0.23 0.00 0.00 176.35 176.97 3i2i s SER 379 N -1.21 -0.60 0.00 2.29 0.15 -0.82 -4.20 113.70 109.30 3i2i s SER 379 Ca 0.12 0.69 0.20 0.00 0.70 0.00 0.00 55.95 57.65 3i2i s SER 379 Cb -0.10 0.58 0.94 0.00 -1.71 0.00 0.00 66.02 65.73 3i2i s SER 379 CO 0.02 -0.56 1.61 0.35 1.20 0.00 0.00 173.24 175.87 3i2i n THR 380 N 1.11 0.49 -3.58 6.45 -2.24 -1.26 0.44 114.28 115.68 3i2i n THR 380 Ca -0.19 0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 3i2i n THR 380 Cb 0.57 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 3i2i n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2i s SER 381 N -2.70 6.58 0.27 3.42 0.01 -1.26 -4.86 113.70 115.16 3i2i s SER 381 Ca 0.16 0.69 -0.30 0.00 1.31 0.00 0.00 55.95 57.81 3i2i s SER 381 Cb 0.13 -2.19 -0.13 0.00 0.21 0.00 0.00 66.02 64.04 3i2i s SER 381 CO 0.32 0.24 1.31 -0.38 0.41 0.00 0.00 173.24 175.14 3i2i n ILE 382 N 2.60 1.37 -1.84 1.44 5.41 -1.26 -4.60 119.36 122.47 3i2i n ILE 382 Ca -0.14 -0.34 -0.41 0.00 1.00 0.00 0.00 62.75 62.86 3i2i n ILE 382 Cb 0.53 -1.40 -0.00 0.00 -0.71 0.00 0.00 39.64 38.05 3i2i n ILE 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i2i s SER 383 N 0.00 6.32 0.03 4.38 0.15 -1.26 -4.96 113.70 118.36 3i2i s SER 383 Ca 0.64 2.99 0.00 0.00 0.70 0.00 0.00 55.95 60.28 3i2i s SER 383 Cb -0.65 -2.66 -0.26 0.00 -1.71 0.00 0.00 66.02 60.74 3i2i s SER 383 CO 0.55 -0.88 0.95 1.23 1.20 0.00 0.00 173.24 176.29 3i2i h GLY 384 N 2.94 0.21 -5.97 9.45 0.00 -1.92 -2.94 103.07 104.84 3i2i h GLY 384 Ca -0.51 -0.53 -0.67 0.00 0.00 0.00 0.00 47.33 45.62 3i2i h GLY 384 CO 0.64 0.47 -0.83 -0.51 0.00 0.00 0.00 176.54 176.30 3i2i s THR 385 N -2.64 2.38 0.21 4.70 -4.23 -1.26 -4.62 115.64 110.18 3i2i s THR 385 Ca -0.06 -0.85 -0.32 0.00 -1.18 0.00 0.00 61.69 59.27 3i2i s THR 385 Cb 0.08 -2.00 -0.14 0.00 1.34 0.00 0.00 72.50 71.78 3i2i s THR 385 CO 0.85 0.52 1.46 -0.62 -0.54 0.00 0.00 174.62 176.29 3i2i n GLU 386 N 4.28 2.04 -2.91 3.99 -0.58 -1.26 -4.47 120.64 121.73 3i2i n GLU 386 Ca -0.20 0.73 -0.07 0.00 -0.42 0.00 0.00 57.16 57.20 3i2i n GLU 386 Cb 0.51 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 3i2i n GLU 386 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i2i n SER 387 N 2.59 -1.22 -3.63 1.62 2.88 0.46 -4.99 113.62 111.34 3i2i n SER 387 Ca 0.14 -2.10 -0.14 0.00 -1.33 0.00 0.00 58.87 55.44 3i2i n SER 387 Cb 0.30 2.11 -0.07 0.00 -0.75 0.00 0.00 64.21 65.80 3i2i n SER 387 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i2i s ALA 388 N -1.96 -1.79 -0.05 -1.46 0.00 -1.26 -1.87 121.76 113.38 3i2i s ALA 388 Ca 0.14 2.00 -0.00 0.00 0.00 0.00 0.00 51.96 54.09 3i2i s ALA 388 Cb -0.02 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 3i2i s ALA 388 CO 0.10 -0.33 0.01 -0.51 0.00 0.00 0.00 175.76 175.03 3i2i s ASP 389 N 0.32 5.24 0.01 0.00 1.01 0.06 -4.95 116.67 118.36 3i2i s ASP 389 Ca -0.00 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.38 3i2i s ASP 389 Cb -0.05 -1.44 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 3i2i s ASP 389 CO 0.01 0.33 -0.09 -0.89 0.21 0.00 0.00 175.17 174.74 3i2i s THR 390 N -0.99 0.71 0.22 -1.27 2.01 -1.26 -0.85 115.64 114.21 3i2i s THR 390 Ca 0.17 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 3i2i s THR 390 Cb -0.11 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3i2i s THR 390 CO 0.06 0.08 0.38 -0.72 -0.69 0.00 0.00 174.62 173.74 3i2i s TYR 391 N -0.46 0.49 -0.25 4.92 -0.85 -0.70 -4.95 117.35 115.54 3i2i s TYR 391 Ca 0.01 -0.83 -0.09 0.00 -0.52 0.00 0.00 57.07 55.65 3i2i s TYR 391 Cb -0.05 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 3i2i s TYR 391 CO 0.00 -0.88 0.11 -1.17 -1.52 0.00 0.00 175.55 172.10 3i2i s LEU 392 N -3.03 3.70 -0.34 -3.49 2.96 -1.26 -0.80 118.68 116.41 3i2i s LEU 392 Ca 0.24 -0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.92 3i2i s LEU 392 Cb 0.01 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3i2i s LEU 392 CO 0.08 -0.02 0.24 -0.47 -1.32 0.00 0.00 176.35 174.86 3i2i s TYR 393 N 1.54 3.23 -0.26 5.38 5.04 0.59 -4.74 117.35 128.12 3i2i s TYR 393 Ca 0.06 -0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.44 3i2i s TYR 393 Cb -0.15 -2.48 0.03 0.00 0.35 0.00 0.00 41.96 39.71 3i2i s TYR 393 CO 0.06 -0.37 -0.04 0.34 -1.34 0.00 0.00 175.55 174.20 3i2i s ASP 394 N 1.72 4.49 0.50 4.32 2.15 -1.26 -1.03 116.67 127.56 3i2i s ASP 394 Ca 0.06 -0.95 0.30 0.00 0.43 0.00 0.00 52.55 52.40 3i2i s ASP 394 Cb -0.17 -1.69 1.41 0.00 -0.30 0.00 0.00 42.92 42.16 3i2i s ASP 394 CO 0.10 -0.16 1.82 -0.65 -0.17 0.00 0.00 175.17 176.11 3i2i h PRO 395 N 8.02 0.11 0.00 4.34 0.11 -1.84 0.17 132.00 142.92 3i2i h PRO 395 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i2i h PRO 395 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i2i h PRO 395 CO 0.57 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3i2i h ALA 396 N 1.50 1.00 -2.26 -0.75 0.00 -1.94 -3.32 119.26 113.48 3i2i h ALA 396 Ca 0.54 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.87 3i2i h ALA 396 Cb 1.91 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 19.31 3i2i h ALA 396 CO -0.09 0.00 -0.94 -3.47 0.00 0.00 0.00 179.25 174.76 3i2i n ASP 397 N -2.65 0.77 -4.83 0.00 2.03 0.59 -5.13 116.55 107.33 3i2i n ASP 397 Ca 0.02 -2.75 -0.31 0.00 0.52 0.00 0.00 54.79 52.27 3i2i n ASP 397 Cb 0.29 -0.63 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 3i2i n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2i s PRO 398 N -0.99 2.97 -0.02 -0.67 0.04 -1.23 -4.55 135.00 130.56 3i2i s PRO 398 Ca 0.34 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3i2i s PRO 398 Cb 0.10 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3i2i s PRO 398 CO -0.13 -1.04 1.53 0.08 0.04 0.00 0.00 177.00 177.47 3i2i s VAL 399 N -3.11 3.58 0.47 -0.36 1.01 -1.26 -4.92 120.40 115.81 3i2i s VAL 399 Ca 0.58 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 63.20 3i2i s VAL 399 Cb -0.13 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 3i2i s VAL 399 CO 0.54 -0.03 1.20 -2.16 0.00 0.00 0.00 175.10 174.65 3i2i s PRO 400 N 3.11 3.68 0.17 2.72 0.04 -1.26 -1.34 135.00 142.13 3i2i s PRO 400 Ca 0.68 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 3i2i s PRO 400 Cb -0.33 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 3i2i s PRO 400 CO 0.28 -0.64 1.16 -1.12 0.04 0.00 0.00 177.00 176.72 3i2i s SER 401 N -1.28 7.15 -0.22 6.66 0.01 0.48 -4.67 113.70 121.83 3i2i s SER 401 Ca 0.64 2.17 -0.04 0.00 1.31 0.00 0.00 55.95 60.03 3i2i s SER 401 Cb -0.31 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.39 3i2i s SER 401 CO 0.37 -0.33 0.09 -0.76 0.41 0.00 0.00 173.24 173.02 3i2i s LEU 402 N -0.19 0.71 0.00 2.44 1.43 -1.26 -4.90 118.68 116.91 3i2i s LEU 402 Ca 0.52 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3i2i s LEU 402 Cb -0.31 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.52 3i2i s LEU 402 CO 0.35 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3i2i n GLY 403 N 5.19 0.78 7.00 -3.19 0.00 -1.25 -4.65 105.19 109.07 3i2i n GLY 403 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3i2i n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 404 N 0.00 1.27 1.87 -0.02 0.00 0.11 -3.80 105.19 104.62 3i2i n GLY 404 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 3i2i n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2i n THR 405 N 0.00 2.92 -1.59 2.61 -2.24 -1.26 -4.38 114.28 110.35 3i2i n THR 405 Ca 0.00 -1.91 -0.43 0.00 -2.27 0.00 0.00 64.05 59.44 3i2i n THR 405 Cb 0.00 -0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3i2i n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2i n LEU 406 N -0.63 1.94 -0.10 3.22 4.77 -1.25 -3.45 117.00 121.49 3i2i n LEU 406 Ca 0.44 1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 57.33 3i2i n LEU 406 Cb 1.39 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3i2i n LEU 406 CO 0.43 -1.53 -1.11 0.18 -1.33 0.00 0.00 177.39 174.03 3i2i n LEU 407 N 0.99 1.60 -0.01 2.23 4.77 -1.26 -4.50 117.00 120.82 3i2i n LEU 407 Ca 0.09 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 3i2i n LEU 407 Cb 0.35 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3i2i n LEU 407 CO 0.59 0.29 -0.58 0.49 -1.33 0.00 0.00 177.39 176.85 3i2i n PHE 408 N -4.05 0.00 -2.73 -1.77 3.72 -1.26 -4.42 117.46 106.95 3i2i n PHE 408 Ca -0.37 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.60 3i2i n PHE 408 Cb 0.73 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 3i2i n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2i s HIS 409 N -2.05 2.97 -1.03 1.38 2.46 -1.26 -4.17 115.29 113.58 3i2i s HIS 409 Ca -0.02 0.70 -0.21 0.00 0.47 0.00 0.00 55.06 56.00 3i2i s HIS 409 Cb 0.01 -3.97 0.03 0.00 -0.13 0.00 0.00 32.58 28.51 3i2i s HIS 409 CO 0.08 -1.02 0.39 0.09 -2.47 0.00 0.00 174.74 171.80 3i2i n ASN 410 N 7.20 -2.14 -1.11 9.88 3.02 -1.26 -4.82 115.26 126.03 3i2i n ASN 410 Ca 0.09 -1.03 0.05 0.00 -0.03 0.00 0.00 54.58 53.66 3i2i n ASN 410 Cb 0.48 -1.24 0.22 0.00 -0.61 0.00 0.00 39.78 38.63 3i2i n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2i n GLY 411 N -1.97 1.82 0.88 7.41 0.00 -1.26 -4.08 105.19 108.00 3i2i n GLY 411 Ca -0.13 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.41 3i2i n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2i n ASP 412 N 0.55 3.22 -2.68 1.61 5.75 -1.26 -4.23 116.55 119.51 3i2i n ASP 412 Ca 0.16 -3.28 -0.09 0.00 -0.01 0.00 0.00 54.79 51.57 3i2i n ASP 412 Cb 0.63 -0.56 0.05 0.00 -1.03 0.00 0.00 41.12 40.20 3i2i n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2i n ASN 413 N -0.83 0.71 -0.12 -1.12 5.15 -1.26 -4.76 115.26 113.03 3i2i n ASN 413 Ca 0.25 -2.67 -0.13 0.00 -0.60 0.00 0.00 54.58 51.43 3i2i n ASN 413 Cb 0.91 -0.20 -0.08 0.00 -0.53 0.00 0.00 39.78 39.88 3i2i n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2i h GLY 414 N 2.79 -0.89 -5.22 8.20 0.00 -1.84 -2.80 103.07 103.32 3i2i h GLY 414 Ca -0.13 0.67 -0.61 0.00 0.00 0.00 0.00 47.33 47.26 3i2i h GLY 414 CO 0.38 -0.15 3.49 -1.55 0.00 0.00 0.00 176.54 178.72 3i2i n PRO 415 N -5.40 3.22 -2.62 4.80 -0.04 -1.26 -0.71 135.00 132.99 3i2i n PRO 415 Ca -0.03 -2.06 -0.38 0.00 -0.04 0.00 0.00 63.50 60.99 3i2i n PRO 415 Cb 0.35 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.00 3i2i n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2i s ALA 416 N 2.60 3.24 0.09 0.55 0.00 -1.05 -4.51 121.76 122.67 3i2i s ALA 416 Ca 0.61 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 3i2i s ALA 416 Cb 0.16 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 3i2i s ALA 416 CO -0.05 -0.03 1.33 0.34 0.00 0.00 0.00 175.76 177.35 3i2i s ASP 417 N -1.36 6.90 0.00 0.00 2.15 -1.26 -1.78 116.67 121.33 3i2i s ASP 417 Ca 0.50 2.22 0.25 0.00 0.43 0.00 0.00 52.55 55.95 3i2i s ASP 417 Cb -0.24 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.30 3i2i s ASP 417 CO 0.30 -0.60 1.41 0.00 -0.17 0.00 0.00 175.17 176.11 3i2i n GLN 418 N 4.05 0.24 -0.34 4.34 1.13 0.73 -4.45 117.38 123.08 3i2i n GLN 418 Ca 0.11 -0.15 0.23 0.00 -1.94 0.00 0.00 57.00 55.25 3i2i n GLN 418 Cb 0.44 -1.50 0.47 0.00 0.11 0.00 0.00 30.24 29.76 3i2i n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2i h ARG 419 N 0.36 0.35 -0.17 -1.09 3.08 -1.92 -0.95 114.38 114.05 3i2i h ARG 419 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3i2i h ARG 419 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3i2i h ARG 419 CO 0.00 0.23 0.36 -1.35 -1.07 0.00 0.00 179.97 178.14 3i2i h PRO 420 N 0.36 0.00 0.00 0.04 0.11 -1.99 -3.34 132.00 127.18 3i2i h PRO 420 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 3i2i h PRO 420 Cb 1.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.73 3i2i h PRO 420 CO -0.57 0.00 -0.81 0.44 -0.21 0.00 0.00 178.00 176.85 3i2i n ILE 421 N -3.27 0.00 0.16 4.15 -6.64 -0.41 -4.69 119.36 108.65 3i2i n ILE 421 Ca 0.02 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.00 3i2i n ILE 421 Cb 0.46 -0.68 0.00 0.00 -1.44 0.00 0.00 39.64 37.98 3i2i n ILE 421 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i2i n HIS 422 N -1.91 0.00 0.44 4.28 1.44 -0.89 -0.11 115.22 118.47 3i2i n HIS 422 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 3i2i n HIS 422 Cb 0.40 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.45 3i2i n HIS 422 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3i2i n ASP 423 N -0.22 0.52 -4.76 4.39 5.75 -1.26 -1.03 116.55 119.94 3i2i n ASP 423 Ca 0.00 -0.24 -0.39 0.00 -0.01 0.00 0.00 54.79 54.15 3i2i n ASP 423 Cb 0.01 1.15 0.01 0.00 -1.03 0.00 0.00 41.12 41.25 3i2i n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2i s ARG 424 N -3.27 3.74 0.58 0.11 0.52 0.84 -4.68 118.95 116.78 3i2i s ARG 424 Ca 0.01 2.16 0.29 0.00 -0.52 0.00 0.00 55.73 57.67 3i2i s ARG 424 Cb 0.14 -2.60 1.74 0.00 0.52 0.00 0.00 34.95 34.75 3i2i s ARG 424 CO 0.84 -0.68 2.22 0.22 0.02 0.00 0.00 175.30 177.92 3i2i h ASP 425 N 2.31 0.00 -0.37 0.23 3.58 -1.93 -2.00 116.42 118.25 3i2i h ASP 425 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3i2i h ASP 425 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 3i2i h ASP 425 CO 0.61 0.02 0.00 -0.90 -2.88 0.00 0.00 179.24 176.09 3i2i n ASP 426 N -3.83 2.27 -4.23 2.28 5.75 -1.26 -4.55 116.55 112.98 3i2i n ASP 426 Ca -0.03 -2.08 -0.38 0.00 -0.01 0.00 0.00 54.79 52.29 3i2i n ASP 426 Cb 0.11 -0.31 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 3i2i n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2i s VAL 427 N -1.56 3.77 -0.01 2.12 1.01 -0.75 -4.39 120.40 120.59 3i2i s VAL 427 Ca 0.26 -1.46 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 3i2i s VAL 427 Cb 0.15 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3i2i s VAL 427 CO 0.16 -0.41 0.69 -0.76 0.00 0.00 0.00 175.10 174.78 3i2i s LEU 428 N 1.34 4.39 -0.07 3.92 1.43 0.49 -1.14 118.68 129.04 3i2i s LEU 428 Ca 0.02 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 3i2i s LEU 428 Cb -0.22 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 3i2i s LEU 428 CO 0.01 -0.01 -0.25 0.00 0.23 0.00 0.00 176.35 176.33 3i2i s TYR 430 N -0.06 0.96 0.17 0.00 1.51 -0.56 -3.44 117.35 115.94 3i2i s TYR 430 Ca -0.07 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.71 3i2i s TYR 430 Cb -0.15 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3i2i s TYR 430 CO 0.05 -0.39 -0.20 -1.12 -1.11 0.00 0.00 175.55 172.77 3i2i s SER 431 N 1.87 2.92 0.73 2.29 0.01 -0.99 -0.49 113.70 120.03 3i2i s SER 431 Ca 0.05 -0.86 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 3i2i s SER 431 Cb -0.12 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.95 3i2i s SER 431 CO -0.06 0.02 1.12 0.42 0.41 0.00 0.00 173.24 175.14 3i2i s THR 432 N -1.91 3.15 0.97 1.44 -4.23 -0.26 -0.11 115.64 114.68 3i2i s THR 432 Ca 0.17 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 3i2i s THR 432 Cb -0.07 -3.37 0.17 0.00 1.34 0.00 0.00 72.50 70.58 3i2i s THR 432 CO 0.08 -0.49 1.09 -1.61 -0.54 0.00 0.00 174.62 173.14 3i2i s GLU 433 N -5.41 0.67 0.24 3.99 0.41 -1.26 -4.70 118.70 112.64 3i2i s GLU 433 Ca 0.59 0.89 -0.31 0.00 -0.41 0.00 0.00 54.97 55.73 3i2i s GLU 433 Cb -0.11 -1.73 -0.12 0.00 -1.78 0.00 0.00 34.13 30.38 3i2i s GLU 433 CO 0.51 -2.67 1.62 0.28 -0.49 0.00 0.00 175.26 174.51 3i2i n VAL 434 N -4.19 0.52 -2.69 2.63 0.31 -1.26 -4.73 118.33 108.92 3i2i n VAL 434 Ca 0.07 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 3i2i n VAL 434 Cb 0.55 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 3i2i n VAL 434 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i2i s LEU 435 N 0.36 4.42 -0.00 7.52 1.43 -0.44 -4.86 118.68 127.10 3i2i s LEU 435 Ca 0.70 1.96 0.14 0.00 -1.03 0.00 0.00 54.13 55.90 3i2i s LEU 435 Cb -0.54 -3.89 -0.17 0.00 0.03 0.00 0.00 46.19 41.62 3i2i s LEU 435 CO 0.41 -0.09 0.54 0.35 0.23 0.00 0.00 176.35 177.79 3i2i n THR 436 N 0.78 0.00 -4.14 5.49 -2.24 -1.26 -0.64 114.28 112.26 3i2i n THR 436 Ca 0.01 -0.20 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3i2i n THR 436 Cb 0.48 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 3i2i n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2i s ASP 437 N -2.61 1.38 0.52 3.42 1.01 -1.26 -4.81 116.67 114.31 3i2i s ASP 437 Ca 0.03 -0.66 -0.22 0.00 0.71 0.00 0.00 52.55 52.41 3i2i s ASP 437 Cb 0.10 -0.01 -0.06 0.00 1.01 0.00 0.00 42.92 43.97 3i2i s ASP 437 CO 0.58 -0.17 1.25 -2.16 0.21 0.00 0.00 175.17 174.88 3i2i s PRO 438 N -2.02 3.38 -0.18 8.23 0.04 -1.26 -4.45 135.00 138.74 3i2i s PRO 438 Ca -0.02 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3i2i s PRO 438 Cb -0.08 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.23 3i2i s PRO 438 CO 0.01 -0.91 -0.09 0.08 0.04 0.00 0.00 177.00 176.13 3i2i s VAL 439 N -1.46 1.45 -0.24 -0.36 1.01 -0.32 -4.97 120.40 115.51 3i2i s VAL 439 Ca 0.69 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3i2i s VAL 439 Cb -0.34 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3i2i s VAL 439 CO 0.40 0.19 0.40 -0.70 0.00 0.00 0.00 175.10 175.39 3i2i s GLU 440 N 1.49 4.08 -0.38 2.72 2.12 -1.25 -0.25 118.70 127.23 3i2i s GLU 440 Ca 0.00 0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 3i2i s GLU 440 Cb -0.15 -3.61 0.10 0.00 0.26 0.00 0.00 34.13 30.72 3i2i s GLU 440 CO -0.08 -0.19 0.16 0.08 -0.54 0.00 0.00 175.26 174.68 3i2i s VAL 441 N 1.80 3.23 -0.21 3.70 1.01 0.79 -0.92 120.40 129.81 3i2i s VAL 441 Ca 0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 3i2i s VAL 441 Cb -0.15 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.15 3i2i s VAL 441 CO 0.09 -0.56 0.05 -0.89 0.00 0.00 0.00 175.10 173.79 3i2i s THR 442 N 1.17 0.43 -5.00 3.92 2.01 -0.52 -0.95 115.64 116.70 3i2i s THR 442 Ca 0.05 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3i2i s THR 442 Cb -0.22 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.28 3i2i s THR 442 CO -0.03 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 3i2i n GLY 443 N 5.08 -0.78 3.79 4.40 0.00 -0.65 -4.72 105.19 112.30 3i2i n GLY 443 Ca -0.08 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 3i2i n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2i s THR 444 N -2.79 3.65 -0.02 2.61 -4.23 -1.26 -2.00 115.64 111.59 3i2i s THR 444 Ca 0.00 1.08 0.05 0.00 -1.18 0.00 0.00 61.69 61.63 3i2i s THR 444 Cb 0.00 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 3i2i s THR 444 CO 0.00 -0.17 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.06 3i2i s VAL 445 N -1.87 1.27 0.13 2.29 1.01 -0.05 -4.27 120.40 118.92 3i2i s VAL 445 Ca 0.66 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 3i2i s VAL 445 Cb -0.19 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3i2i s VAL 445 CO 0.23 0.36 0.27 -0.94 0.00 0.00 0.00 175.10 175.03 3i2i s SER 446 N -0.22 0.02 0.15 3.32 1.04 -1.21 -0.98 113.70 115.82 3i2i s SER 446 Ca 0.03 -0.67 0.11 0.00 0.48 0.00 0.00 55.95 55.90 3i2i s SER 446 Cb -0.08 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3i2i s SER 446 CO 0.00 -0.82 -0.26 0.00 0.98 0.00 0.00 173.24 173.14 3i2i s ALA 447 N -3.89 2.42 -0.21 5.32 0.00 -0.04 0.08 121.76 125.43 3i2i s ALA 447 Ca 0.09 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3i2i s ALA 447 Cb 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3i2i s ALA 447 CO -0.07 0.49 -0.14 1.03 0.00 0.00 0.00 175.76 177.08 3i2i s ARG 448 N -2.28 2.39 -0.04 0.00 1.81 0.42 -0.41 118.95 120.84 3i2i s ARG 448 Ca 0.16 -0.98 0.07 0.00 -1.72 0.00 0.00 55.73 53.26 3i2i s ARG 448 Cb -0.09 -2.59 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 3i2i s ARG 448 CO 0.07 -0.40 -0.25 -0.51 -0.68 0.00 0.00 175.30 173.53 3i2i s LEU 449 N 1.28 2.08 -0.32 2.53 1.43 -0.30 -0.70 118.68 124.68 3i2i s LEU 449 Ca -0.01 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 3i2i s LEU 449 Cb -0.16 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 3i2i s LEU 449 CO -0.09 0.29 0.61 -0.36 0.23 0.00 0.00 176.35 177.03 3i2i s PHE 450 N -0.41 3.20 0.12 0.29 0.40 -1.26 -0.67 117.98 119.65 3i2i s PHE 450 Ca 0.04 0.49 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 3i2i s PHE 450 Cb -0.12 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 3i2i s PHE 450 CO 0.01 -0.51 -0.10 0.14 0.70 0.00 0.00 175.22 175.46 3i2i s VAL 451 N 2.60 1.04 0.06 -0.44 -7.23 0.60 -0.33 120.40 116.71 3i2i s VAL 451 Ca 0.24 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 3i2i s VAL 451 Cb -0.15 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.22 3i2i s VAL 451 CO 0.13 -0.64 0.25 -0.94 -0.31 0.00 0.00 175.10 173.58 3i2i s SER 452 N -2.76 -0.02 0.04 4.85 1.04 -0.42 -0.26 113.70 116.16 3i2i s SER 452 Ca 0.10 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.17 3i2i s SER 452 Cb -0.00 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3i2i s SER 452 CO 0.00 -0.65 -0.07 -0.55 0.98 0.00 0.00 173.24 172.95 3i2i s SER 453 N -2.35 0.75 0.19 7.02 0.15 -1.26 -0.86 113.70 117.34 3i2i s SER 453 Ca -0.02 -0.53 0.22 0.00 0.70 0.00 0.00 55.95 56.32 3i2i s SER 453 Cb 0.01 0.04 0.90 0.00 -1.71 0.00 0.00 66.02 65.26 3i2i s SER 453 CO -0.06 -0.21 1.67 -1.54 1.20 0.00 0.00 173.24 174.29 3i2i n SER 454 N 1.52 0.52 -4.81 5.45 3.41 -0.54 0.02 113.62 119.18 3i2i n SER 454 Ca -0.23 0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 58.78 3i2i n SER 454 Cb 0.55 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 3i2i n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2i s ALA 455 N -3.23 3.63 -1.45 7.33 0.00 -1.26 -4.77 121.76 122.02 3i2i s ALA 455 Ca 0.05 -1.54 0.28 0.00 0.00 0.00 0.00 51.96 50.76 3i2i s ALA 455 Cb 0.10 -1.19 1.08 0.00 0.00 0.00 0.00 23.12 23.11 3i2i s ALA 455 CO 0.38 0.16 1.78 1.33 0.00 0.00 0.00 175.76 179.41 3i2i n VAL 456 N -1.22 0.00 -3.59 0.00 0.24 -1.26 -4.26 118.33 108.24 3i2i n VAL 456 Ca -0.05 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 3i2i n VAL 456 Cb 0.59 -0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 3i2i n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2i s ASP 457 N -2.64 -0.58 0.29 -1.34 2.15 -1.26 -2.13 116.67 111.16 3i2i s ASP 457 Ca 0.23 0.74 -0.18 0.00 0.43 0.00 0.00 52.55 53.78 3i2i s ASP 457 Cb 0.19 0.68 0.07 0.00 -0.30 0.00 0.00 42.92 43.56 3i2i s ASP 457 CO 0.52 -0.49 0.89 1.07 -0.17 0.00 0.00 175.17 176.99 3i2i n THR 458 N 1.39 0.00 -4.20 1.71 5.66 -1.26 -4.05 114.28 113.53 3i2i n THR 458 Ca -0.18 -0.78 -0.26 0.00 -3.05 0.00 0.00 64.05 59.78 3i2i n THR 458 Cb 0.56 0.88 -0.07 0.00 -1.55 0.00 0.00 70.33 70.15 3i2i n THR 458 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3i2i s ASP 459 N -3.22 4.85 -0.02 1.09 1.01 -1.26 -0.69 116.67 118.43 3i2i s ASP 459 Ca 0.19 -0.38 0.04 0.00 0.71 0.00 0.00 52.55 53.11 3i2i s ASP 459 Cb -0.04 -1.06 -0.01 0.00 1.01 0.00 0.00 42.92 42.83 3i2i s ASP 459 CO 0.09 0.08 -0.14 -0.36 0.21 0.00 0.00 175.17 175.04 3i2i s PHE 460 N -1.79 1.37 0.12 4.23 0.08 0.12 -4.38 117.98 117.73 3i2i s PHE 460 Ca 0.28 -0.32 0.10 0.00 0.12 0.00 0.00 56.93 57.12 3i2i s PHE 460 Cb -0.09 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3i2i s PHE 460 CO 0.19 -0.08 -0.24 0.95 -0.10 0.00 0.00 175.22 175.94 3i2i s THR 461 N -0.13 2.45 -0.02 0.64 -4.23 0.00 -0.13 115.64 114.23 3i2i s THR 461 Ca 0.01 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3i2i s THR 461 Cb -0.08 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.68 3i2i s THR 461 CO 0.00 0.10 -0.02 0.00 -0.54 0.00 0.00 174.62 174.16 3i2i s ALA 462 N -1.08 0.35 -0.04 3.99 0.00 -0.80 -2.41 121.76 121.77 3i2i s ALA 462 Ca 0.15 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.14 3i2i s ALA 462 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3i2i s ALA 462 CO 0.07 0.01 -0.16 0.21 0.00 0.00 0.00 175.76 175.89 3i2i s LYS 463 N 0.48 1.66 -0.06 0.00 2.20 -0.41 -1.48 119.74 122.13 3i2i s LYS 463 Ca -0.05 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.87 3i2i s LYS 463 Cb -0.08 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 34.75 3i2i s LYS 463 CO -0.01 0.20 0.36 -1.17 -0.36 0.00 0.00 175.35 174.38 3i2i s LEU 464 N 0.12 4.39 -0.01 5.43 2.96 0.58 -1.09 118.68 131.07 3i2i s LEU 464 Ca -0.05 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3i2i s LEU 464 Cb -0.11 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.09 3i2i s LEU 464 CO 0.02 0.25 0.00 -0.69 -1.32 0.00 0.00 176.35 174.61 3i2i s VAL 465 N -0.56 0.04 -0.41 1.68 1.01 0.05 -0.26 120.40 121.94 3i2i s VAL 465 Ca 0.21 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 3i2i s VAL 465 Cb -0.15 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3i2i s VAL 465 CO 0.10 0.03 0.27 -0.62 0.00 0.00 0.00 175.10 174.88 3i2i s ASP 466 N 0.23 5.93 -0.29 3.32 -1.08 -0.24 -1.02 116.67 123.53 3i2i s ASP 466 Ca -0.02 -1.05 -0.22 0.00 -0.52 0.00 0.00 52.55 50.75 3i2i s ASP 466 Cb -0.03 -2.09 -0.01 0.00 -1.46 0.00 0.00 42.92 39.33 3i2i s ASP 466 CO -0.01 -0.46 0.70 -0.69 0.52 0.00 0.00 175.17 175.24 3i2i s VAL 467 N 1.60 4.89 0.46 1.11 1.01 -0.68 -0.61 120.40 128.19 3i2i s VAL 467 Ca 0.03 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.97 3i2i s VAL 467 Cb -0.20 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 3i2i s VAL 467 CO 0.08 -0.12 0.91 -0.36 0.00 0.00 0.00 175.10 175.60 3i2i s PHE 468 N 2.72 3.44 0.35 5.22 0.40 0.11 -1.54 117.98 128.67 3i2i s PHE 468 Ca 0.29 1.35 0.09 0.00 -0.60 0.00 0.00 56.93 58.06 3i2i s PHE 468 Cb -0.15 -2.69 0.81 0.00 0.51 0.00 0.00 43.02 41.50 3i2i s PHE 468 CO 0.11 -0.24 1.87 -1.35 0.70 0.00 0.00 175.22 176.31 3i2i h PRO 469 N 1.21 0.68 0.00 0.24 0.11 -1.87 -1.82 132.00 130.55 3i2i h PRO 469 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i2i h PRO 469 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i2i h PRO 469 CO 0.62 0.45 0.00 0.38 -0.21 0.00 0.00 178.00 179.24 3i2i h ASP 470 N 0.70 0.00 0.00 -2.05 3.04 -1.94 -3.46 116.42 112.71 3i2i h ASP 470 Ca 0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.23 3i2i h ASP 470 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 3i2i h ASP 470 CO -0.20 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.61 3i2i n GLY 471 N -0.20 1.05 3.63 7.15 0.00 -0.68 -5.10 105.19 111.04 3i2i n GLY 471 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 3i2i n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2i n ARG 472 N 0.00 1.69 -3.92 1.61 1.74 -1.26 -4.70 116.66 111.81 3i2i n ARG 472 Ca 0.00 0.61 -0.32 0.00 -0.77 0.00 0.00 57.85 57.37 3i2i n ARG 472 Cb 0.00 -2.28 -0.13 0.00 -1.02 0.00 0.00 32.46 29.03 3i2i n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2i s ALA 473 N 0.46 3.21 -0.29 7.54 0.00 -1.26 0.05 121.76 131.47 3i2i s ALA 473 Ca 0.78 -2.99 -0.19 0.00 0.00 0.00 0.00 51.96 49.56 3i2i s ALA 473 Cb -0.78 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3i2i s ALA 473 CO 0.45 -1.91 0.58 0.42 0.00 0.00 0.00 175.76 175.29 3i2i s ILE 474 N 0.23 5.00 0.15 0.00 -1.09 0.22 -0.19 121.20 125.51 3i2i s ILE 474 Ca 0.14 0.82 -0.33 0.00 -2.23 0.00 0.00 60.65 59.05 3i2i s ILE 474 Cb -0.23 -3.93 -0.13 0.00 -1.58 0.00 0.00 42.46 36.59 3i2i s ILE 474 CO -0.03 -0.06 1.64 0.00 -1.23 0.00 0.00 174.94 175.26 3i2i n ALA 475 N 5.74 1.64 -2.12 9.38 0.00 -0.73 -1.08 120.51 133.34 3i2i n ALA 475 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3i2i n ALA 475 Cb 0.49 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3i2i n ALA 475 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i2i n LEU 476 N 3.87 0.00 -4.95 0.00 4.77 0.64 -4.37 117.00 116.96 3i2i n LEU 476 Ca 0.17 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 3i2i n LEU 476 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3i2i n LEU 476 CO 0.64 0.00 0.03 0.00 -1.33 0.00 0.00 177.39 176.73 3i2i s ASP 478 N -3.78 -0.08 0.20 0.00 -4.77 -1.24 -0.30 116.67 106.70 3i2i s ASP 478 Ca 0.36 -0.78 -0.09 0.00 -3.30 0.00 0.00 52.55 48.75 3i2i s ASP 478 Cb -0.10 0.52 0.03 0.00 -1.09 0.00 0.00 42.92 42.29 3i2i s ASP 478 CO 0.31 -1.01 0.46 0.61 0.70 0.00 0.00 175.17 176.24 3i2i n GLY 479 N -0.30 1.36 3.19 2.12 0.00 -0.55 -4.34 105.19 106.67 3i2i n GLY 479 Ca -0.06 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3i2i n GLY 479 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i2i s ILE 480 N -2.47 0.06 -0.09 -0.61 2.07 -1.26 -1.91 121.20 117.00 3i2i s ILE 480 Ca 0.09 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3i2i s ILE 480 Cb -0.03 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.03 3i2i s ILE 480 CO 0.06 -0.29 -0.11 0.54 -1.91 0.00 0.00 174.94 173.23 3i2i s VAL 481 N -1.31 1.17 -0.23 4.00 0.11 0.81 -3.87 120.40 121.08 3i2i s VAL 481 Ca -0.14 -0.45 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 3i2i s VAL 481 Cb -0.06 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 3i2i s VAL 481 CO 0.03 0.37 0.70 -0.60 -3.33 0.00 0.00 175.10 172.27 3i2i s ARG 482 N 1.07 4.17 0.38 1.54 3.52 -0.23 -0.71 118.95 128.70 3i2i s ARG 482 Ca -0.07 0.71 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 3i2i s ARG 482 Cb -0.15 -3.62 0.82 0.00 -1.56 0.00 0.00 34.95 30.44 3i2i s ARG 482 CO -0.01 -0.38 1.98 0.52 -0.81 0.00 0.00 175.30 176.59 3i2i h MET 483 N 7.67 0.64 0.00 5.12 2.86 -1.23 0.10 114.93 130.10 3i2i h MET 483 Ca -0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3i2i h MET 483 Cb 1.12 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 3i2i h MET 483 CO 0.80 0.42 -0.03 0.07 1.06 0.00 0.00 176.91 179.23 3i2i h ARG 484 N 0.66 0.00 -0.53 1.72 0.11 -1.82 -2.16 114.38 112.37 3i2i h ARG 484 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3i2i h ARG 484 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3i2i h ARG 484 CO -0.09 0.03 0.00 0.66 0.10 0.00 0.00 179.97 180.68 3i2i n TYR 485 N -3.74 1.58 0.17 4.08 4.01 0.35 -2.02 117.16 121.59 3i2i n TYR 485 Ca -0.03 -0.71 0.09 0.00 -0.16 0.00 0.00 57.90 57.10 3i2i n TYR 485 Cb 0.13 -0.36 0.60 0.00 -0.31 0.00 0.00 39.34 39.40 3i2i n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2i h ARG 486 N 3.51 0.12 0.00 -0.72 0.11 -1.32 -3.09 114.38 112.98 3i2i h ARG 486 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3i2i h ARG 486 Cb 1.64 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.69 3i2i h ARG 486 CO 0.33 0.08 -0.51 0.39 0.10 0.00 0.00 179.97 180.35 3i2i n GLU 487 N -4.51 3.90 -3.63 0.08 -0.58 -1.26 -4.72 120.64 109.91 3i2i n GLU 487 Ca 0.00 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.61 3i2i n GLU 487 Cb 0.16 -0.82 -0.07 0.00 -0.57 0.00 0.00 31.44 30.13 3i2i n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2i s THR 488 N -1.67 0.00 -1.14 2.62 -1.32 -1.17 -5.02 115.64 107.95 3i2i s THR 488 Ca 0.01 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.77 3i2i s THR 488 Cb 0.03 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.29 3i2i s THR 488 CO 0.17 0.00 1.85 0.18 -2.21 0.00 0.00 174.62 174.61 3i2i n LEU 489 N 3.01 0.14 -0.13 9.08 4.77 -1.26 -4.23 117.00 128.38 3i2i n LEU 489 Ca -0.15 0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 3i2i n LEU 489 Cb 0.56 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3i2i n LEU 489 CO 0.02 0.03 -1.39 0.52 -1.33 0.00 0.00 177.39 175.24 3i2i n VAL 490 N -1.41 1.52 -3.53 4.08 0.31 -1.26 -0.95 118.33 117.08 3i2i n VAL 490 Ca 0.09 -0.45 -0.27 0.00 -0.01 0.00 0.00 64.34 63.70 3i2i n VAL 490 Cb 0.32 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 3i2i n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2i n ASN 491 N -3.90 3.32 -4.76 4.52 3.02 -1.26 -4.73 115.26 111.47 3i2i n ASN 491 Ca -0.51 -3.33 -0.36 0.00 -0.03 0.00 0.00 54.58 50.34 3i2i n ASN 491 Cb 0.92 -0.69 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3i2i n ASN 491 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2i s PRO 492 N -2.11 3.29 0.06 3.52 0.04 -1.26 -4.82 135.00 133.72 3i2i s PRO 492 Ca 0.36 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3i2i s PRO 492 Cb 0.10 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3i2i s PRO 492 CO -0.06 -0.95 -0.07 0.95 0.04 0.00 0.00 177.00 176.90 3i2i s THR 493 N -1.57 0.59 0.80 1.26 -4.23 -0.86 -5.02 115.64 106.62 3i2i s THR 493 Ca 0.72 -1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 3i2i s THR 493 Cb -0.30 -1.02 0.08 0.00 1.34 0.00 0.00 72.50 72.60 3i2i s THR 493 CO 0.35 -0.57 1.17 -0.76 -0.54 0.00 0.00 174.62 174.26 3i2i s LEU 494 N -2.14 2.52 0.24 4.79 1.43 -1.26 -4.23 118.68 120.03 3i2i s LEU 494 Ca -0.02 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 3i2i s LEU 494 Cb -0.04 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3i2i s LEU 494 CO -0.02 -1.88 0.04 0.27 0.23 0.00 0.00 176.35 175.00 3i2i s ILE 495 N -3.55 3.76 -0.05 -0.59 -4.36 -0.90 -5.02 121.20 110.48 3i2i s ILE 495 Ca 0.62 -1.67 -0.23 0.00 -0.26 0.00 0.00 60.65 59.11 3i2i s ILE 495 Cb -0.11 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 3i2i s ILE 495 CO 0.49 -0.31 0.67 -1.61 0.24 0.00 0.00 174.94 174.43 3i2i s GLU 496 N -3.54 4.42 0.26 0.37 0.41 -1.26 -4.45 118.70 114.91 3i2i s GLU 496 Ca 0.31 0.84 -0.31 0.00 -0.41 0.00 0.00 54.97 55.41 3i2i s GLU 496 Cb -0.07 -3.42 -0.13 0.00 -1.78 0.00 0.00 34.13 28.72 3i2i s GLU 496 CO 0.21 0.13 1.39 0.00 -0.49 0.00 0.00 175.26 176.50 3i2i n ALA 497 N 3.54 1.17 0.00 5.21 0.00 -1.26 -2.42 120.51 126.74 3i2i n ALA 497 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3i2i n ALA 497 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3i2i n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2i n GLY 498 N 1.90 2.97 3.75 0.00 0.00 0.10 -4.97 105.19 108.94 3i2i n GLY 498 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3i2i n GLY 498 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i2i s GLU 499 N 0.00 4.71 -0.08 1.61 2.12 -1.02 -4.85 118.70 121.19 3i2i s GLU 499 Ca 0.00 1.64 -0.25 0.00 0.36 0.00 0.00 54.97 56.71 3i2i s GLU 499 Cb 0.00 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3i2i s GLU 499 CO 0.00 0.28 0.80 0.42 -0.54 0.00 0.00 175.26 176.21 3i2i s ILE 500 N -0.78 4.97 0.01 -3.70 1.01 -1.26 -4.40 121.20 117.05 3i2i s ILE 500 Ca 0.45 1.63 0.08 0.00 0.00 0.00 0.00 60.65 62.81 3i2i s ILE 500 Cb -0.28 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3i2i s ILE 500 CO 0.35 0.17 -0.26 -0.31 0.00 0.00 0.00 174.94 174.90 3i2i s TYR 501 N 1.20 2.34 -0.38 3.97 2.02 0.64 -4.91 117.35 122.23 3i2i s TYR 501 Ca 0.41 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.50 3i2i s TYR 501 Cb -0.18 -1.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3i2i s TYR 501 CO 0.19 0.04 0.57 -2.00 -1.57 0.00 0.00 175.55 172.77 3i2i s GLU 502 N -0.89 3.49 0.11 -0.62 2.12 -1.26 -0.29 118.70 121.35 3i2i s GLU 502 Ca 0.11 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.28 3i2i s GLU 502 Cb -0.10 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 3i2i s GLU 502 CO 0.00 -0.78 -0.13 0.14 -0.54 0.00 0.00 175.26 173.95 3i2i s VAL 503 N 2.55 3.15 -0.10 3.70 -7.23 0.15 -4.94 120.40 117.68 3i2i s VAL 503 Ca 0.20 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 3i2i s VAL 503 Cb -0.15 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 3i2i s VAL 503 CO 0.15 0.12 0.24 0.00 -0.31 0.00 0.00 175.10 175.30 3i2i s ALA 504 N -1.18 3.77 -0.23 1.32 0.00 -1.26 -1.15 121.76 123.04 3i2i s ALA 504 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3i2i s ALA 504 Cb -0.11 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.88 3i2i s ALA 504 CO 0.12 0.47 -0.12 0.42 0.00 0.00 0.00 175.76 176.65 3i2i s ILE 505 N -0.73 2.42 -0.43 0.00 1.01 0.45 -4.77 121.20 119.16 3i2i s ILE 505 Ca 0.17 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3i2i s ILE 505 Cb -0.13 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.15 3i2i s ILE 505 CO 0.06 0.26 1.12 -0.62 0.00 0.00 0.00 174.94 175.77 3i2i s ASP 506 N 1.26 6.73 -0.26 3.58 -1.08 -1.26 -0.86 116.67 124.77 3i2i s ASP 506 Ca -0.00 0.66 0.13 0.00 -0.52 0.00 0.00 52.55 52.82 3i2i s ASP 506 Cb -0.16 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.42 3i2i s ASP 506 CO -0.08 -1.14 1.64 0.23 0.52 0.00 0.00 175.17 176.35 3i2i n MET 507 N 7.53 3.45 0.00 4.34 2.81 -0.15 -4.13 117.12 130.98 3i2i n MET 507 Ca 0.12 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.97 3i2i n MET 507 Cb 0.48 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3i2i n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2i n LEU 508 N -0.26 0.00 -3.59 4.03 4.77 -1.21 -3.62 117.00 117.12 3i2i n LEU 508 Ca 0.32 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 3i2i n LEU 508 Cb 1.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.21 3i2i n LEU 508 CO 0.30 0.00 0.24 0.00 -1.33 0.00 0.00 177.39 176.60 3i2i s ALA 509 N -1.42 -1.19 0.24 -1.18 0.00 -1.26 -0.87 121.76 116.08 3i2i s ALA 509 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3i2i s ALA 509 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3i2i s ALA 509 CO 0.00 -0.56 0.44 -0.08 0.00 0.00 0.00 175.76 175.56 3i2i s THR 510 N -2.95 0.00 -0.22 0.00 -1.32 -0.85 -4.75 115.64 105.55 3i2i s THR 510 Ca -0.02 -1.46 -0.04 0.00 -1.21 0.00 0.00 61.69 58.95 3i2i s THR 510 Cb -0.00 -2.23 0.08 0.00 -1.51 0.00 0.00 72.50 68.84 3i2i s THR 510 CO -0.06 -0.00 0.12 -0.55 -2.21 0.00 0.00 174.62 171.92 3i2i s SER 511 N -3.03 2.73 -0.09 8.08 0.15 -1.25 -1.64 113.70 118.66 3i2i s SER 511 Ca 0.24 -0.85 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 3i2i s SER 511 Cb 0.00 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 3i2i s SER 511 CO 0.09 -0.38 0.22 0.21 1.20 0.00 0.00 173.24 174.57 3i2i s ASN 512 N 2.14 -0.22 -0.30 5.45 2.47 -0.12 -0.73 114.94 123.62 3i2i s ASN 512 Ca 0.05 0.45 -0.16 0.00 0.42 0.00 0.00 52.86 53.62 3i2i s ASN 512 Cb -0.16 0.40 -0.02 0.00 -1.45 0.00 0.00 41.25 40.02 3i2i s ASN 512 CO -0.20 -0.11 0.41 -0.69 -3.72 0.00 0.00 177.10 172.78 3i2i s VAL 513 N 0.62 5.13 -0.39 -5.21 1.01 0.54 -0.15 120.40 121.96 3i2i s VAL 513 Ca -0.04 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 3i2i s VAL 513 Cb -0.06 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3i2i s VAL 513 CO -0.03 0.02 0.97 -0.36 0.00 0.00 0.00 175.10 175.69 3i2i s PHE 514 N 2.14 3.03 0.52 5.22 0.40 0.66 -4.33 117.98 125.62 3i2i s PHE 514 Ca 0.15 0.76 -0.07 0.00 -0.60 0.00 0.00 56.93 57.18 3i2i s PHE 514 Cb -0.16 -3.80 -0.04 0.00 0.51 0.00 0.00 43.02 39.53 3i2i s PHE 514 CO 0.11 -0.92 0.85 -0.51 0.70 0.00 0.00 175.22 175.46 3i2i s LEU 515 N 3.67 3.52 0.24 -0.37 1.43 -1.26 -1.17 118.68 124.73 3i2i s LEU 515 Ca 0.40 1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 54.27 3i2i s LEU 515 Cb -0.11 -4.05 -0.14 0.00 0.03 0.00 0.00 46.19 41.91 3i2i s LEU 515 CO 0.21 -0.65 1.21 -2.65 0.23 0.00 0.00 176.35 174.69 3i2i n PRO 516 N -2.37 1.57 0.00 1.29 -0.02 -1.26 -1.23 135.00 132.98 3i2i n PRO 516 Ca 0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3i2i n PRO 516 Cb 0.55 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3i2i n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2i n GLY 517 N 1.73 2.94 3.97 -1.23 0.00 0.18 -4.96 105.19 107.83 3i2i n GLY 517 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3i2i n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2i s HIS 518 N -2.81 3.02 0.09 1.61 3.76 -0.37 -3.97 115.29 116.62 3i2i s HIS 518 Ca 0.00 -0.03 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 3i2i s HIS 518 Cb 0.00 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 3i2i s HIS 518 CO 0.00 -0.48 -0.23 1.03 -0.85 0.00 0.00 174.74 174.21 3i2i s ARG 519 N -4.52 1.35 -0.08 1.40 0.52 -0.59 -1.33 118.95 115.70 3i2i s ARG 519 Ca 0.52 -1.16 -0.24 0.00 -0.52 0.00 0.00 55.73 54.33 3i2i s ARG 519 Cb -0.10 -1.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 3i2i s ARG 519 CO 0.36 0.40 0.75 0.42 0.02 0.00 0.00 175.30 177.25 3i2i s ILE 520 N -1.00 5.00 0.07 1.52 1.01 -1.26 -1.68 121.20 124.85 3i2i s ILE 520 Ca 0.09 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.33 3i2i s ILE 520 Cb -0.10 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3i2i s ILE 520 CO 0.04 0.20 -0.17 -0.32 0.00 0.00 0.00 174.94 174.69 3i2i s MET 521 N 1.12 1.00 -0.06 2.79 1.75 -0.18 -1.10 119.30 124.61 3i2i s MET 521 Ca 0.39 -0.96 0.05 0.00 -1.25 0.00 0.00 55.69 53.92 3i2i s MET 521 Cb -0.18 -1.09 -0.01 0.00 2.84 0.00 0.00 34.83 36.39 3i2i s MET 521 CO 0.18 0.26 -0.23 0.54 -0.65 0.00 0.00 175.02 175.11 3i2i s VAL 522 N -1.07 1.91 -0.15 10.11 0.11 0.35 -0.77 120.40 130.88 3i2i s VAL 522 Ca 0.02 -0.98 -0.11 0.00 -2.93 0.00 0.00 61.98 57.98 3i2i s VAL 522 Cb -0.09 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 3i2i s VAL 522 CO 0.02 0.53 0.21 -1.10 -3.33 0.00 0.00 175.10 171.44 3i2i s GLN 523 N -0.05 4.04 -0.08 1.54 -0.21 -0.25 -1.50 119.66 123.14 3i2i s GLN 523 Ca -0.06 -0.04 0.05 0.00 0.02 0.00 0.00 55.36 55.33 3i2i s GLN 523 Cb -0.14 -3.36 -0.00 0.00 1.00 0.00 0.00 33.01 30.51 3i2i s GLN 523 CO 0.04 0.41 -0.24 0.08 -2.12 0.00 0.00 175.29 173.45 3i2i s VAL 524 N 0.00 2.05 0.00 1.09 1.01 0.83 -1.28 120.40 124.10 3i2i s VAL 524 Ca 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3i2i s VAL 524 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.50 3i2i s VAL 524 CO 0.03 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 3i2i n SER 525 N 3.30 0.00 -0.23 3.32 2.88 -1.01 -0.38 113.62 121.50 3i2i n SER 525 Ca -0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.37 3i2i n SER 525 Cb 0.53 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.01 3i2i n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2i n SER 526 N 0.00 0.68 -3.45 -3.46 7.64 -1.26 -0.82 113.62 112.95 3i2i n SER 526 Ca 0.00 -1.94 -0.13 0.00 1.01 0.00 0.00 58.87 57.81 3i2i n SER 526 Cb 0.00 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 3i2i n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2i s SER 527 N -1.09 -0.59 -0.45 6.43 1.04 -1.26 -4.31 113.70 113.48 3i2i s SER 527 Ca 0.06 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.69 3i2i s SER 527 Cb 0.05 0.58 0.20 0.00 0.10 0.00 0.00 66.02 66.95 3i2i s SER 527 CO 0.01 -0.88 0.84 0.21 0.98 0.00 0.00 173.24 174.40 3i2i s ASN 528 N -2.36 -1.07 -0.06 7.02 2.47 -1.23 -4.38 114.94 115.32 3i2i s ASN 528 Ca -0.02 -1.16 0.04 0.00 0.42 0.00 0.00 52.86 52.14 3i2i s ASN 528 Cb -0.01 1.40 -0.02 0.00 -1.45 0.00 0.00 41.25 41.17 3i2i s ASN 528 CO -0.07 -0.05 -0.18 0.12 -3.72 0.00 0.00 177.10 173.20 3i2i s PHE 529 N 1.06 2.63 -1.38 0.43 5.36 -0.45 -0.66 117.98 124.98 3i2i s PHE 529 Ca 0.26 -0.41 0.09 0.00 -0.96 0.00 0.00 56.93 55.91 3i2i s PHE 529 Cb 0.03 -1.65 0.33 0.00 -0.34 0.00 0.00 43.02 41.40 3i2i s PHE 529 CO -0.07 -0.01 1.17 -0.35 -1.46 0.00 0.00 175.22 174.50 3i2i n PRO 530 N 2.71 2.25 -0.22 10.12 -0.04 -1.26 -0.38 135.00 148.17 3i2i n PRO 530 Ca -0.17 -1.32 0.02 0.00 -0.04 0.00 0.00 63.50 61.99 3i2i n PRO 530 Cb 0.52 -1.53 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 3i2i n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2i h LYS 531 N 1.91 0.18 -6.42 0.54 1.63 -1.91 -2.55 116.57 109.95 3i2i h LYS 531 Ca 0.00 -0.01 -0.62 0.00 -0.85 0.00 0.00 60.65 59.17 3i2i h LYS 531 Cb 0.79 -0.04 -0.24 0.00 -0.60 0.00 0.00 32.23 32.14 3i2i h LYS 531 CO 0.10 0.12 -0.85 0.71 -3.45 0.00 0.00 179.45 176.08 3i2i s TYR 532 N -6.11 2.01 0.76 1.91 2.02 0.17 -3.60 117.35 114.51 3i2i s TYR 532 Ca -0.13 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 3i2i s TYR 532 Cb 0.19 -1.15 0.05 0.00 -0.40 0.00 0.00 41.96 40.66 3i2i s TYR 532 CO 0.74 0.19 1.10 0.16 -1.57 0.00 0.00 175.55 176.17 3i2i s ASP 533 N -1.60 4.47 0.11 2.29 -4.77 -0.33 -4.09 116.67 112.76 3i2i s ASP 533 Ca 0.09 1.91 -0.27 0.00 -3.30 0.00 0.00 52.55 50.99 3i2i s ASP 533 Cb -0.10 -2.53 -0.07 0.00 -1.09 0.00 0.00 42.92 39.13 3i2i s ASP 533 CO 0.03 -2.06 0.83 -0.13 0.70 0.00 0.00 175.17 174.54 3i2i s ARG 534 N -4.68 4.59 0.18 2.11 0.52 -1.26 -4.84 118.95 115.57 3i2i s ARG 534 Ca 0.63 1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 56.76 3i2i s ARG 534 Cb -0.19 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 3i2i s ARG 534 CO 0.53 0.38 1.25 1.21 0.02 0.00 0.00 175.30 178.68 3i2i s ASN 535 N -0.48 7.00 0.11 0.23 3.84 -1.26 -4.91 114.94 119.47 3i2i s ASN 535 Ca 0.40 2.28 0.25 0.00 0.21 0.00 0.00 52.86 55.99 3i2i s ASN 535 Cb -0.22 -2.60 0.95 0.00 -0.55 0.00 0.00 41.25 38.82 3i2i s ASN 535 CO 0.26 -0.45 1.76 -1.54 -2.79 0.00 0.00 177.10 174.35 3i2i n SER 536 N 2.73 0.36 -2.00 -4.21 3.41 -1.26 -4.70 113.62 107.96 3i2i n SER 536 Ca 0.06 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 59.03 3i2i n SER 536 Cb 0.44 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 3i2i n SER 536 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i2i n ASN 537 N -1.86 -5.39 -0.01 4.04 3.02 -1.26 -1.31 115.26 112.49 3i2i n ASN 537 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3i2i n ASN 537 Cb 0.32 -4.47 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 3i2i n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2i n THR 538 N -3.70 0.10 -0.89 3.41 -2.24 -1.26 -4.42 114.28 105.28 3i2i n THR 538 Ca -0.22 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3i2i n THR 538 Cb 0.66 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3i2i n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2i n GLY 539 N 2.48 0.89 0.00 3.38 0.00 -1.26 -4.75 105.19 105.93 3i2i n GLY 539 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i2i n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2i n GLY 540 N -2.13 -0.80 3.49 -0.02 0.00 -1.26 -4.96 105.19 99.51 3i2i n GLY 540 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3i2i n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2i s VAL 541 N -0.38 4.18 0.22 1.61 1.01 -1.26 -4.93 120.40 120.86 3i2i s VAL 541 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3i2i s VAL 541 Cb 0.00 -4.79 0.24 0.00 0.00 0.00 0.00 36.38 31.83 3i2i s VAL 541 CO 0.00 -1.61 1.64 0.40 0.00 0.00 0.00 175.10 175.53 3i2i h ILE 542 N 6.05 0.39 0.00 2.22 2.04 -1.95 0.01 117.51 126.26 3i2i h ILE 542 Ca -0.19 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3i2i h ILE 542 Cb 1.05 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i2i h ILE 542 CO 1.22 0.01 0.00 0.00 0.00 0.00 0.00 178.15 179.38 3i2i n ALA 543 N -2.96 1.56 0.94 1.87 0.00 -1.26 -2.11 120.51 118.55 3i2i n ALA 543 Ca 0.10 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.70 3i2i n ALA 543 Cb 0.38 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.54 3i2i n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i2i n ARG 544 N -2.00 1.53 -3.32 0.00 5.12 -0.02 -0.78 116.66 117.19 3i2i n ARG 544 Ca 0.02 -1.20 -0.36 0.00 -1.93 0.00 0.00 57.85 54.38 3i2i n ARG 544 Cb 0.18 -1.44 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 3i2i n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i2i s GLU 545 N -2.24 4.03 0.13 5.56 2.02 -0.90 -4.73 118.70 122.57 3i2i s GLU 545 Ca 0.20 0.55 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 3i2i s GLU 545 Cb 0.18 -2.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 3i2i s GLU 545 CO 0.47 0.48 0.75 -0.65 0.02 0.00 0.00 175.26 176.33 3i2i s GLN 546 N -1.91 4.52 0.22 1.61 -1.52 -1.26 -3.83 119.66 117.49 3i2i s GLN 546 Ca 0.38 1.10 -0.09 0.00 -1.95 0.00 0.00 55.36 54.80 3i2i s GLN 546 Cb -0.15 -3.29 0.35 0.00 -0.22 0.00 0.00 33.01 29.70 3i2i s GLN 546 CO 0.19 0.50 1.67 1.25 -0.25 0.00 0.00 175.29 178.65 3i2i h LEU 547 N 4.69 -0.20 -1.66 2.90 5.85 -1.96 0.12 115.31 125.06 3i2i h LEU 547 Ca -0.46 0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.63 3i2i h LEU 547 Cb 1.21 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 3i2i h LEU 547 CO 0.67 -0.10 0.61 -0.08 -0.34 0.00 0.00 178.44 179.20 3i2i h GLU 548 N 0.16 0.27 -0.00 1.25 4.57 -1.99 -0.89 114.58 117.94 3i2i h GLU 548 Ca 0.36 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3i2i h GLU 548 Cb 0.59 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3i2i h GLU 548 CO -0.53 0.18 -0.08 0.39 -1.18 0.00 0.00 179.01 177.78 3i2i n GLU 549 N -4.45 0.03 -1.93 1.92 1.02 0.42 -4.91 120.64 112.75 3i2i n GLU 549 Ca 0.19 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 3i2i n GLU 549 Cb 0.78 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 3i2i n GLU 549 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3i2i s MET 550 N -2.97 3.47 0.18 3.49 -1.94 -0.34 -4.98 119.30 116.20 3i2i s MET 550 Ca 0.14 0.66 0.08 0.00 -1.71 0.00 0.00 55.69 54.86 3i2i s MET 550 Cb 0.19 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.90 3i2i s MET 550 CO 0.55 -0.63 -0.05 0.00 -0.01 0.00 0.00 175.02 174.89 3i2i s THR 552 N -1.72 4.73 -0.02 0.00 -4.23 -1.26 -4.43 115.64 108.70 3i2i s THR 552 Ca 0.26 0.79 0.03 0.00 -1.18 0.00 0.00 61.69 61.59 3i2i s THR 552 Cb -0.09 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.90 3i2i s THR 552 CO 0.17 -1.02 -0.09 0.00 -0.54 0.00 0.00 174.62 173.14 3i2i s ALA 553 N -3.01 0.82 -0.46 3.99 0.00 -0.20 -4.87 121.76 118.04 3i2i s ALA 553 Ca 0.54 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.93 3i2i s ALA 553 Cb -0.11 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3i2i s ALA 553 CO 0.49 0.15 0.81 0.08 0.00 0.00 0.00 175.76 177.28 3i2i s VAL 554 N 0.08 4.62 0.02 0.00 1.01 -1.26 -0.30 120.40 124.57 3i2i s VAL 554 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3i2i s VAL 554 Cb -0.07 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3i2i s VAL 554 CO 0.00 -0.76 -0.03 0.20 0.00 0.00 0.00 175.10 174.51 3i2i s ASN 555 N 2.20 4.87 -0.03 3.32 0.02 0.02 -1.47 114.94 123.87 3i2i s ASN 555 Ca 0.30 -0.11 0.01 0.00 -1.02 0.00 0.00 52.86 52.04 3i2i s ASN 555 Cb -0.12 -1.18 0.02 0.00 0.02 0.00 0.00 41.25 39.99 3i2i s ASN 555 CO 0.23 0.26 -0.01 -0.60 0.02 0.00 0.00 177.10 176.99 3i2i s ARG 556 N -1.66 0.43 -0.24 -0.60 3.52 -0.04 -1.72 118.95 118.65 3i2i s ARG 556 Ca 0.20 0.01 -0.08 0.00 -0.13 0.00 0.00 55.73 55.72 3i2i s ARG 556 Cb -0.11 -0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 32.69 3i2i s ARG 556 CO 0.11 -0.10 0.10 0.42 -0.81 0.00 0.00 175.30 175.02 3i2i s ILE 557 N 0.88 4.76 -0.14 4.11 -1.09 -0.03 -1.30 121.20 128.38 3i2i s ILE 557 Ca -0.10 -0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.23 3i2i s ILE 557 Cb -0.13 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3i2i s ILE 557 CO -0.01 0.35 0.10 -1.00 -1.23 0.00 0.00 174.94 173.15 3i2i s HIS 558 N 1.27 3.44 -0.08 3.97 3.76 0.56 -0.76 115.29 127.43 3i2i s HIS 558 Ca 0.06 0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 55.23 3i2i s HIS 558 Cb -0.14 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.59 3i2i s HIS 558 CO 0.05 0.51 0.27 -0.98 -0.85 0.00 0.00 174.74 173.73 3i2i s ARG 559 N -0.50 0.39 0.00 1.40 1.70 -0.78 -4.18 118.95 116.98 3i2i s ARG 559 Ca 0.11 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 3i2i s ARG 559 Cb -0.12 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 3i2i s ARG 559 CO 0.02 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 3i2i n GLY 560 N 2.56 0.18 0.20 3.88 0.00 -1.04 -0.40 105.19 110.56 3i2i n GLY 560 Ca -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.20 3i2i n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i2i h PRO 561 N 5.26 0.11 0.00 1.61 0.11 -1.77 -2.55 132.00 134.77 3i2i h PRO 561 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3i2i h PRO 561 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3i2i h PRO 561 CO 0.00 0.45 -0.94 0.93 -0.21 0.00 0.00 178.00 178.23 3i2i h GLU 562 N 0.10 0.00 -2.10 1.05 4.39 -1.93 -3.40 114.58 112.70 3i2i h GLU 562 Ca 0.01 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.14 3i2i h GLU 562 Cb 0.66 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.90 3i2i h GLU 562 CO 0.05 0.00 -0.85 0.72 -1.16 0.00 0.00 179.01 177.76 3i2i n HIS 563 N -2.64 1.71 -1.31 4.33 8.25 -1.11 -5.04 115.22 119.41 3i2i n HIS 563 Ca 0.00 -3.87 -0.40 0.00 -0.26 0.00 0.00 57.72 53.20 3i2i n HIS 563 Cb 0.54 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 3i2i n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2i n PRO 564 N 1.02 2.25 -1.73 -0.41 -0.04 -0.98 -2.50 135.00 132.61 3i2i n PRO 564 Ca 0.26 -2.09 -0.42 0.00 -0.04 0.00 0.00 63.50 61.21 3i2i n PRO 564 Cb 0.47 -2.98 -0.01 0.00 -0.04 0.00 0.00 33.50 30.95 3i2i n PRO 564 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i2i n SER 565 N 6.20 3.38 -3.46 3.54 7.64 -1.26 -4.93 113.62 124.74 3i2i n SER 565 Ca 0.52 1.19 -0.11 0.00 1.01 0.00 0.00 58.87 61.48 3i2i n SER 565 Cb 0.35 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 61.98 3i2i n SER 565 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2i s HIS 566 N -0.68 -0.49 -0.11 1.43 -3.43 0.12 -1.60 115.29 110.53 3i2i s HIS 566 Ca 0.59 0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 55.08 3i2i s HIS 566 Cb -0.53 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.15 3i2i s HIS 566 CO 0.57 -0.84 0.07 -1.50 -2.00 0.00 0.00 174.74 171.05 3i2i s ILE 567 N -3.68 4.94 -0.35 -5.38 2.07 -0.27 -0.44 121.20 118.09 3i2i s ILE 567 Ca 0.02 -0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.10 3i2i s ILE 567 Cb -0.01 -3.13 -0.01 0.00 0.13 0.00 0.00 42.46 39.44 3i2i s ILE 567 CO -0.11 0.60 0.39 -0.69 -1.91 0.00 0.00 174.94 173.22 3i2i s VAL 568 N -0.87 5.14 -0.17 4.00 1.01 0.11 -0.21 120.40 129.41 3i2i s VAL 568 Ca 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3i2i s VAL 568 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i2i s VAL 568 CO 0.03 -0.12 0.02 -0.76 0.00 0.00 0.00 175.10 174.27 3i2i s LEU 569 N 2.09 3.60 -1.01 3.92 1.43 0.48 -3.36 118.68 125.83 3i2i s LEU 569 Ca 0.13 0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 3i2i s LEU 569 Cb -0.16 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3i2i s LEU 569 CO 0.12 0.18 1.62 -2.16 0.23 0.00 0.00 176.35 176.33 3i2i s PRO 570 N 0.33 3.29 0.01 1.29 0.04 -1.26 -0.73 135.00 137.97 3i2i s PRO 570 Ca 0.00 -0.93 -0.27 0.00 0.04 0.00 0.00 61.00 59.84 3i2i s PRO 570 Cb -0.13 -5.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 3i2i s PRO 570 CO 0.01 -2.58 0.86 0.42 0.04 0.00 0.00 177.00 175.75 3i2i s ILE 571 N 6.51 4.83 -0.10 0.56 -1.09 -0.20 -1.44 121.20 130.28 3i2i s ILE 571 Ca 0.54 1.82 0.03 0.00 -2.23 0.00 0.00 60.65 60.81 3i2i s ILE 571 Cb -0.02 -4.21 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3i2i s ILE 571 CO -0.06 0.25 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.04 3i2i s ILE 572 N 0.60 2.21 -0.25 2.92 -1.09 -0.09 -1.05 121.20 124.45 3i2i s ILE 572 Ca 0.45 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3i2i s ILE 572 Cb -0.20 -1.86 0.07 0.00 -1.58 0.00 0.00 42.46 38.89 3i2i s ILE 572 CO 0.25 0.56 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.74 3i2i s LYS 573 N 0.31 1.48 0.00 2.79 2.47 -1.26 -3.92 119.74 121.62 3i2i s LYS 573 Ca -0.17 -1.06 0.00 0.00 -1.56 0.00 0.00 55.97 53.18 3i2i s LYS 573 Cb -0.17 -2.57 0.00 0.00 -1.46 0.00 0.00 37.83 33.62 3i2i s LYS 573 CO 0.08 -0.67 0.02 2.89 0.16 0.00 0.00 175.35 177.83