#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npq s ARG 5 N 0.00 4.03 0.81 3.49 3.52 -1.26 -5.07 118.95 124.47 2npq s ARG 5 Ca 0.00 0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 56.03 2npq s ARG 5 Cb 0.00 -3.15 0.07 0.00 -1.56 0.00 0.00 34.95 30.32 2npq s ARG 5 CO 0.00 0.62 1.09 -2.14 -0.81 0.00 0.00 175.30 174.06 2npq s PRO 6 N -1.34 2.02 -0.14 5.12 0.02 -1.26 -5.03 135.00 134.38 2npq s PRO 6 Ca 0.30 0.68 -0.21 0.00 0.02 0.00 0.00 61.00 61.79 2npq s PRO 6 Cb -0.17 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 2npq s PRO 6 CO 0.17 -1.68 0.62 0.99 -0.33 0.00 0.00 177.00 176.77 2npq s THR 7 N -3.12 5.06 0.23 0.99 2.01 -1.26 -5.01 115.64 114.54 2npq s THR 7 Ca 0.61 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.86 2npq s THR 7 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2npq s THR 7 CO 0.55 0.19 0.37 -0.36 -0.69 0.00 0.00 174.62 174.68 2npq s PHE 8 N 1.35 3.47 0.14 4.92 0.40 -1.26 -1.76 117.98 125.23 2npq s PHE 8 Ca 0.31 0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2npq s PHE 8 Cb -0.16 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2npq s PHE 8 CO 0.12 0.41 -0.17 1.52 0.70 0.00 0.00 175.22 177.81 2npq s TYR 9 N -1.95 1.63 0.02 0.36 1.13 -0.57 -4.89 117.35 113.08 2npq s TYR 9 Ca 0.35 -0.50 0.02 0.00 -1.41 0.00 0.00 57.07 55.54 2npq s TYR 9 Cb -0.10 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.89 2npq s TYR 9 CO 0.30 0.23 -0.01 1.03 -2.51 0.00 0.00 175.55 174.60 2npq s ARG 10 N -2.63 2.70 0.30 -3.49 0.52 -1.26 -2.36 118.95 112.73 2npq s ARG 10 Ca 0.12 -0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2npq s ARG 10 Cb -0.06 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 2npq s ARG 10 CO 0.05 0.60 0.36 -1.14 0.02 0.00 0.00 175.30 175.19 2npq s GLN 11 N -1.73 1.67 -0.28 3.54 0.74 -0.73 -5.00 119.66 117.88 2npq s GLN 11 Ca 0.21 -1.72 -0.03 0.00 0.05 0.00 0.00 55.36 53.88 2npq s GLN 11 Cb -0.12 0.38 0.11 0.00 1.10 0.00 0.00 33.01 34.49 2npq s GLN 11 CO 0.12 -0.65 0.20 -2.00 -0.55 0.00 0.00 175.29 172.41 2npq s GLU 12 N -3.52 0.24 0.19 1.67 2.12 -1.26 -2.90 118.70 115.24 2npq s GLU 12 Ca 0.33 -0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.22 2npq s GLU 12 Cb 0.02 -0.98 0.02 0.00 0.26 0.00 0.00 34.13 33.44 2npq s GLU 12 CO 0.19 -0.98 0.46 -0.48 -0.54 0.00 0.00 175.26 173.90 2npq s LEU 13 N 2.23 0.33 -1.54 2.70 0.05 -0.41 -4.90 118.68 117.13 2npq s LEU 13 Ca 0.09 -0.61 -0.01 0.00 0.05 0.00 0.00 54.13 53.64 2npq s LEU 13 Cb -0.15 1.87 0.00 0.00 -2.05 0.00 0.00 46.19 45.86 2npq s LEU 13 CO -0.32 -1.02 0.13 0.59 -0.55 0.00 0.00 176.35 175.18 2npq n ASN 14 N -0.31 -5.34 0.00 1.48 3.02 -1.26 -0.74 115.26 112.11 2npq n ASN 14 Ca -0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2npq n ASN 14 Cb 0.62 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 2npq n ASN 14 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2npq n LYS 15 N -3.17 -0.10 -4.37 3.52 4.76 -1.26 -4.96 118.16 112.59 2npq n LYS 15 Ca -0.19 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.04 2npq n LYS 15 Cb 0.65 -4.48 -0.09 0.00 -1.84 0.00 0.00 35.03 29.27 2npq n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2npq s THR 16 N -1.06 2.83 -0.02 -0.18 2.01 0.08 -5.12 115.64 114.18 2npq s THR 16 Ca 0.00 -2.08 -0.26 0.00 0.31 0.00 0.00 61.69 59.66 2npq s THR 16 Cb 0.00 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2npq s THR 16 CO 0.00 -0.31 0.80 -0.63 -0.69 0.00 0.00 174.62 173.79 2npq s ILE 17 N -2.46 4.92 -0.19 1.82 1.01 -1.26 -1.29 121.20 123.75 2npq s ILE 17 Ca 0.32 1.67 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 2npq s ILE 17 Cb -0.03 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2npq s ILE 17 CO 0.18 0.25 -0.12 0.26 0.00 0.00 0.00 174.94 175.51 2npq s TRP 18 N 0.66 2.85 -0.26 3.97 0.52 -1.14 -4.97 118.94 120.56 2npq s TRP 18 Ca 0.42 -1.15 0.01 0.00 0.02 0.00 0.00 56.10 55.40 2npq s TRP 18 Cb -0.19 -1.98 0.05 0.00 -1.15 0.00 0.00 33.47 30.20 2npq s TRP 18 CO 0.22 -0.58 -0.09 -2.00 0.02 0.00 0.00 176.95 174.52 2npq s GLU 19 N 1.17 2.36 0.08 4.98 2.12 -1.26 -1.77 118.70 126.39 2npq s GLU 19 Ca 0.02 -1.28 0.02 0.00 0.36 0.00 0.00 54.97 54.08 2npq s GLU 19 Cb -0.14 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2npq s GLU 19 CO -0.05 -0.55 -0.07 0.14 -0.54 0.00 0.00 175.26 174.19 2npq s VAL 20 N 1.16 0.63 0.56 3.70 -7.23 -1.00 -4.63 120.40 113.59 2npq s VAL 20 Ca -0.07 -1.69 -0.20 0.00 -1.81 0.00 0.00 61.98 58.21 2npq s VAL 20 Cb -0.19 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.31 2npq s VAL 20 CO -0.04 -0.74 1.12 -2.65 -0.31 0.00 0.00 175.10 172.48 2npq n PRO 21 N 0.38 1.25 0.19 4.82 -0.02 -1.26 -1.51 135.00 138.85 2npq n PRO 21 Ca -0.15 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 2npq n PRO 21 Cb 0.59 -2.30 0.51 0.00 -0.02 0.00 0.00 33.50 32.28 2npq n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2npq h GLU 22 N 0.98 0.00 -0.57 -0.52 4.11 -1.69 -1.97 114.58 114.92 2npq h GLU 22 Ca -0.49 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.11 2npq h GLU 22 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2npq h GLU 22 CO 0.54 0.00 0.44 0.07 0.07 0.00 0.00 179.01 180.13 2npq h ARG 23 N 0.00 0.00 -5.30 1.06 0.11 -1.90 -3.37 114.38 104.98 2npq h ARG 23 Ca 0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 2npq h ARG 23 Cb 0.55 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.47 2npq h ARG 23 CO 0.00 0.00 0.13 0.71 0.10 0.00 0.00 179.97 180.91 2npq s TYR 24 N -4.91 3.04 0.24 4.08 2.02 -0.74 -0.47 117.35 120.60 2npq s TYR 24 Ca -0.05 -0.21 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 2npq s TYR 24 Cb 0.19 -3.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 2npq s TYR 24 CO 0.69 -0.96 -0.10 -0.65 -1.57 0.00 0.00 175.55 172.97 2npq s GLN 25 N 2.84 2.00 -1.23 -0.62 -1.52 -0.14 -4.77 119.66 116.21 2npq s GLN 25 Ca 0.21 -1.47 -0.02 0.00 -1.95 0.00 0.00 55.36 52.13 2npq s GLN 25 Cb -0.16 -2.04 -0.01 0.00 -0.22 0.00 0.00 33.01 30.59 2npq s GLN 25 CO 0.17 0.38 0.82 0.09 -0.25 0.00 0.00 175.29 176.50 2npq n ASN 26 N -0.43 -2.37 -4.70 5.90 3.02 -1.26 -1.49 115.26 113.93 2npq n ASN 26 Ca -0.08 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 2npq n ASN 26 Cb 0.58 -4.47 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 2npq n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2npq s LEU 27 N -6.41 4.35 -0.09 3.41 1.02 -1.25 -4.52 118.68 115.19 2npq s LEU 27 Ca 0.09 2.33 0.01 0.00 0.02 0.00 0.00 54.13 56.58 2npq s LEU 27 Cb -0.02 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.64 2npq s LEU 27 CO 0.78 -0.77 -0.11 -0.94 0.02 0.00 0.00 176.35 175.33 2npq s SER 28 N 1.85 2.02 0.32 2.29 1.04 -0.78 -4.97 113.70 115.47 2npq s SER 28 Ca 0.68 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.53 2npq s SER 28 Cb -0.36 -0.86 -0.13 0.00 0.10 0.00 0.00 66.02 64.76 2npq s SER 28 CO 0.30 -0.04 0.96 -2.65 0.98 0.00 0.00 173.24 172.79 2npq n PRO 29 N 4.35 1.26 0.00 4.02 -0.02 -1.26 -0.89 135.00 142.46 2npq n PRO 29 Ca -0.18 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2npq n PRO 29 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2npq n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2npq n VAL 30 N 0.01 0.00 0.00 -1.45 0.31 -0.65 -4.78 118.33 111.76 2npq n VAL 30 Ca 0.10 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2npq n VAL 30 Cb 0.34 1.21 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 2npq n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2npq n GLY 31 N 0.18 2.14 3.54 2.92 0.00 -1.23 -4.98 105.19 107.76 2npq n GLY 31 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 2npq n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2npq s SER 32 N 0.00 -0.80 0.48 1.61 0.15 -1.26 -1.46 113.70 112.42 2npq s SER 32 Ca 0.00 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.87 2npq s SER 32 Cb 0.00 1.23 -0.08 0.00 -1.71 0.00 0.00 66.02 65.47 2npq s SER 32 CO 0.00 -0.23 -0.61 0.61 1.20 0.00 0.00 173.24 174.21 2npq n GLY 36 N 4.01 -1.36 3.91 9.45 0.00 -1.26 -5.00 105.19 114.94 2npq n GLY 36 Ca -0.20 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2npq n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2npq s SER 37 N -0.58 6.44 -0.00 1.61 1.04 -0.97 -4.87 113.70 116.38 2npq s SER 37 Ca 0.14 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.13 2npq s SER 37 Cb 0.04 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2npq s SER 37 CO 0.26 0.04 -0.20 -0.69 0.98 0.00 0.00 173.24 173.63 2npq s VAL 38 N -1.69 2.58 -0.03 5.02 1.01 -0.54 -1.18 120.40 125.57 2npq s VAL 38 Ca 0.39 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2npq s VAL 38 Cb -0.12 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2npq s VAL 38 CO 0.26 0.49 -0.23 0.00 0.00 0.00 0.00 175.10 175.62 2npq s ALA 40 N -0.46 2.87 0.27 0.00 0.00 -0.06 -1.08 121.76 123.30 2npq s ALA 40 Ca 0.07 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 2npq s ALA 40 Cb -0.10 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2npq s ALA 40 CO -0.00 -0.39 0.58 0.00 0.00 0.00 0.00 175.76 175.95 2npq s ALA 41 N -1.88 -0.55 -0.19 0.00 0.00 -0.23 -1.86 121.76 117.05 2npq s ALA 41 Ca 0.67 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2npq s ALA 41 Cb -0.19 0.97 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2npq s ALA 41 CO 0.23 -0.92 -0.14 0.12 0.00 0.00 0.00 175.76 175.04 2npq s PHE 42 N -3.80 2.83 -0.69 0.00 5.36 -0.56 -1.40 117.98 119.73 2npq s PHE 42 Ca 0.19 -1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 54.58 2npq s PHE 42 Cb -0.03 -1.97 0.06 0.00 -0.34 0.00 0.00 43.02 40.74 2npq s PHE 42 CO 0.09 -0.67 1.07 0.34 -1.46 0.00 0.00 175.22 174.59 2npq s ASP 43 N 1.27 6.17 0.55 6.13 2.15 0.17 -0.97 116.67 132.14 2npq s ASP 43 Ca 0.03 -0.80 0.27 0.00 0.43 0.00 0.00 52.55 52.48 2npq s ASP 43 Cb -0.14 -2.47 1.60 0.00 -0.30 0.00 0.00 42.92 41.62 2npq s ASP 43 CO -0.08 -1.58 2.16 0.71 -0.17 0.00 0.00 175.17 176.21 2npq h THR 44 N 5.99 0.60 -0.20 1.71 1.35 -1.07 -0.47 112.91 120.82 2npq h THR 44 Ca -0.29 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.28 2npq h THR 44 Cb 1.06 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2npq h THR 44 CO 1.22 0.06 -0.06 0.50 -0.25 0.00 0.00 175.52 176.98 2npq h LYS 45 N 0.00 0.40 -0.00 4.72 3.64 -1.91 -3.33 116.57 120.09 2npq h LYS 45 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2npq h LYS 45 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2npq h LYS 45 CO 0.01 0.66 -0.80 0.25 -2.27 0.00 0.00 179.45 177.30 2npq n THR 46 N -4.60 0.00 -1.27 1.00 -2.24 -1.05 -4.98 114.28 101.14 2npq n THR 46 Ca -0.05 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2npq n THR 46 Cb 0.29 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 2npq n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npq n GLY 47 N 1.42 1.09 3.89 3.38 0.00 -0.21 -5.04 105.19 109.72 2npq n GLY 47 Ca 0.04 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2npq n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2npq s LEU 48 N -2.14 4.33 -0.03 0.99 1.43 -1.17 -4.91 118.68 117.17 2npq s LEU 48 Ca 0.00 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2npq s LEU 48 Cb 0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2npq s LEU 48 CO 0.00 0.29 0.89 -0.13 0.23 0.00 0.00 176.35 177.63 2npq s ARG 49 N -1.77 4.51 0.13 1.70 0.52 -1.26 -0.66 118.95 122.12 2npq s ARG 49 Ca 0.25 1.24 0.05 0.00 -0.52 0.00 0.00 55.73 56.75 2npq s ARG 49 Cb -0.12 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2npq s ARG 49 CO 0.16 -0.03 -0.13 0.14 0.02 0.00 0.00 175.30 175.46 2npq s VAL 50 N 1.00 1.26 -0.22 3.52 -7.23 -0.50 -1.63 120.40 116.61 2npq s VAL 50 Ca 0.47 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 2npq s VAL 50 Cb -0.20 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2npq s VAL 50 CO 0.24 -0.52 0.14 0.00 -0.31 0.00 0.00 175.10 174.66 2npq s ALA 51 N -2.47 3.65 -0.31 1.32 0.00 0.53 -1.07 121.76 123.41 2npq s ALA 51 Ca 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 2npq s ALA 51 Cb -0.03 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.89 2npq s ALA 51 CO 0.02 0.01 0.07 0.08 0.00 0.00 0.00 175.76 175.94 2npq s VAL 52 N 0.65 3.71 -0.23 0.00 1.01 -0.24 -1.15 120.40 124.15 2npq s VAL 52 Ca 0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2npq s VAL 52 Cb -0.12 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2npq s VAL 52 CO 0.01 -0.01 0.11 -0.75 0.00 0.00 0.00 175.10 174.45 2npq s LYS 53 N 1.43 3.89 -0.35 2.72 2.20 0.62 -1.20 119.74 129.05 2npq s LYS 53 Ca 0.00 -0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.11 2npq s LYS 53 Cb -0.18 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2npq s LYS 53 CO 0.02 0.01 0.27 0.21 -0.36 0.00 0.00 175.35 175.49 2npq s LYS 54 N 1.14 3.45 0.32 4.03 2.20 -0.32 -0.94 119.74 129.61 2npq s LYS 54 Ca 0.06 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2npq s LYS 54 Cb -0.14 -3.83 -0.10 0.00 -1.51 0.00 0.00 37.83 32.25 2npq s LYS 54 CO 0.04 -0.49 1.39 -0.51 -0.36 0.00 0.00 175.35 175.42 2npq s LEU 55 N 1.77 4.39 -0.12 5.43 1.43 -0.59 -2.28 118.68 128.72 2npq s LEU 55 Ca 0.07 2.78 -0.16 0.00 -1.03 0.00 0.00 54.13 55.79 2npq s LEU 55 Cb -0.17 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 2npq s LEU 55 CO 0.11 -0.67 0.39 -0.55 0.23 0.00 0.00 176.35 175.86 2npq s SER 56 N -0.19 6.60 -1.41 2.29 0.15 -1.26 -4.50 113.70 115.39 2npq s SER 56 Ca 0.53 0.71 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 2npq s SER 56 Cb -0.42 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2npq s SER 56 CO 0.53 0.10 0.53 0.54 1.20 0.00 0.00 173.24 176.14 2npq n ARG 57 N 3.31 -3.79 0.29 5.44 1.74 -1.26 -4.69 116.66 117.70 2npq n ARG 57 Ca -0.10 0.46 0.15 0.00 -0.77 0.00 0.00 57.85 57.59 2npq n ARG 57 Cb 0.52 -4.76 0.85 0.00 -1.02 0.00 0.00 32.46 28.05 2npq n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2npq h PRO 58 N -1.84 0.00 -0.01 5.56 0.13 -1.84 -2.85 132.00 131.15 2npq h PRO 58 Ca -0.62 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 2npq h PRO 58 Cb 1.37 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.33 2npq h PRO 58 CO 0.62 0.06 -0.74 1.19 -0.23 0.00 0.00 178.00 178.90 2npq n PHE 59 N -3.59 0.03 0.17 1.56 3.72 -1.26 -2.86 117.46 115.24 2npq n PHE 59 Ca -0.02 -1.08 0.04 0.00 -0.05 0.00 0.00 57.45 56.33 2npq n PHE 59 Cb 0.17 -0.21 0.43 0.00 -0.94 0.00 0.00 39.48 38.94 2npq n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2npq h GLN 60 N 1.02 0.10 -3.68 -1.08 4.15 -1.85 -3.45 115.11 110.32 2npq h GLN 60 Ca -0.10 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.18 2npq h GLN 60 Cb 1.39 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 2npq h GLN 60 CO 0.05 0.29 -0.07 -1.54 -1.93 0.00 0.00 178.83 175.63 2npq s SER 61 N -6.94 0.24 0.15 -0.69 1.04 -1.26 -5.02 113.70 101.21 2npq s SER 61 Ca -0.04 -1.13 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 2npq s SER 61 Cb 0.15 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.94 2npq s SER 61 CO 0.72 -1.28 1.80 0.40 0.98 0.00 0.00 173.24 175.85 2npq h ILE 62 N 2.16 1.06 -0.50 -1.02 2.04 -1.93 -0.41 117.51 118.90 2npq h ILE 62 Ca -0.27 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 2npq h ILE 62 Cb 1.25 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2npq h ILE 62 CO 0.37 0.08 0.16 0.40 0.00 0.00 0.00 178.15 179.16 2npq h ILE 63 N 0.46 1.23 -0.48 -0.67 2.04 -1.97 0.02 117.51 118.14 2npq h ILE 63 Ca 0.14 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2npq h ILE 63 Cb -0.02 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2npq h ILE 63 CO -0.05 0.28 0.20 0.45 0.00 0.00 0.00 178.15 179.04 2npq h HIS 64 N 0.69 0.72 -0.35 1.37 3.86 -1.82 -1.09 115.15 118.53 2npq h HIS 64 Ca 0.16 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2npq h HIS 64 Cb 0.28 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2npq h HIS 64 CO 0.02 0.60 0.14 0.00 0.86 0.00 0.00 177.93 179.54 2npq h ALA 65 N 1.05 0.45 -0.62 2.45 0.00 -0.81 -0.77 119.26 121.00 2npq h ALA 65 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2npq h ALA 65 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2npq h ALA 65 CO -0.02 0.05 0.20 -0.22 0.00 0.00 0.00 179.25 179.27 2npq h LYS 66 N 0.41 0.93 -0.75 0.00 3.64 -0.84 -2.13 116.57 117.84 2npq h LYS 66 Ca 0.12 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2npq h LYS 66 Cb 0.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2npq h LYS 66 CO -0.01 0.79 0.26 -0.09 -2.27 0.00 0.00 179.45 178.12 2npq h ARG 67 N 0.90 1.15 0.11 1.90 2.43 -0.94 0.71 114.38 120.63 2npq h ARG 67 Ca 0.20 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2npq h ARG 67 Cb 0.24 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2npq h ARG 67 CO -0.01 0.96 -0.05 1.15 -1.51 0.00 0.00 179.97 180.51 2npq h THR 68 N 1.10 0.94 -0.12 0.20 2.02 -0.97 -0.88 112.91 115.21 2npq h THR 68 Ca 0.24 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.28 2npq h THR 68 Cb 0.28 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 2npq h THR 68 CO -0.01 0.05 -0.18 0.22 0.37 0.00 0.00 175.52 175.96 2npq h TYR 69 N -0.24 -0.48 -0.55 3.16 3.20 -1.28 -1.91 116.97 118.88 2npq h TYR 69 Ca -0.02 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.99 2npq h TYR 69 Cb 0.19 0.23 -0.11 0.00 1.54 0.00 0.00 36.73 38.58 2npq h TYR 69 CO -0.04 -0.26 -0.22 -0.09 -1.64 0.00 0.00 178.16 175.91 2npq h ARG 70 N -0.24 -0.08 -0.53 1.82 2.43 -0.67 0.04 114.38 117.14 2npq h ARG 70 Ca 0.09 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2npq h ARG 70 Cb 0.38 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2npq h ARG 70 CO -0.26 -0.06 0.26 1.49 -1.51 0.00 0.00 179.97 179.89 2npq h GLU 71 N -0.09 0.77 -0.41 0.20 4.81 -0.96 -1.19 114.58 117.71 2npq h GLU 71 Ca 0.25 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2npq h GLU 71 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2npq h GLU 71 CO -0.61 0.64 -0.09 1.25 -0.73 0.00 0.00 179.01 179.47 2npq h LEU 72 N 0.72 0.78 -0.49 1.64 5.85 -0.98 -1.06 115.31 121.77 2npq h LEU 72 Ca 0.18 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2npq h LEU 72 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2npq h LEU 72 CO -0.02 0.96 0.27 0.03 -0.34 0.00 0.00 178.44 179.33 2npq h ARG 73 N 0.59 0.68 0.56 1.25 2.47 -0.89 -1.19 114.38 117.85 2npq h ARG 73 Ca 0.10 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2npq h ARG 73 Cb 0.61 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2npq h ARG 73 CO 0.04 0.53 -0.34 -0.07 0.56 0.00 0.00 179.97 180.69 2npq h LEU 74 N 0.65 -0.86 -1.23 3.04 3.38 -1.11 -2.19 115.31 116.99 2npq h LEU 74 Ca 0.17 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2npq h LEU 74 Cb 0.05 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2npq h LEU 74 CO -0.03 -0.54 0.52 -0.07 0.09 0.00 0.00 178.44 178.42 2npq h LEU 75 N -0.85 0.88 -1.58 1.67 3.38 -1.12 -0.97 115.31 116.71 2npq h LEU 75 Ca -0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2npq h LEU 75 Cb 0.69 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2npq h LEU 75 CO 0.07 0.63 -0.22 0.11 0.09 0.00 0.00 178.44 179.12 2npq h LYS 76 N 1.03 0.00 0.00 1.13 1.57 -1.11 -3.10 116.57 116.10 2npq h LYS 76 Ca 0.30 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.89 2npq h LYS 76 Cb -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2npq h LYS 76 CO -0.08 0.22 -0.90 1.25 -0.57 0.00 0.00 179.45 179.37 2npq h HIS 77 N 0.00 0.00 -3.60 -1.35 2.76 -0.53 -3.45 115.15 108.98 2npq h HIS 77 Ca -0.00 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.60 2npq h HIS 77 Cb 0.41 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 2npq h HIS 77 CO 0.00 0.90 0.85 -1.64 -1.30 0.00 0.00 177.93 176.75 2npq s MET 78 N -2.92 3.79 -0.48 5.26 -1.94 -1.01 -4.93 119.30 117.07 2npq s MET 78 Ca 0.01 0.64 0.04 0.00 -1.71 0.00 0.00 55.69 54.67 2npq s MET 78 Cb 0.11 -3.86 0.17 0.00 2.01 0.00 0.00 34.83 33.25 2npq s MET 78 CO 0.81 -1.23 0.38 1.63 -0.01 0.00 0.00 175.02 176.60 2npq n LYS 79 N 7.49 0.58 -3.67 2.03 5.02 -1.26 -4.42 118.16 123.92 2npq n LYS 79 Ca 0.11 -3.48 -0.14 0.00 -2.02 0.00 0.00 58.31 52.78 2npq n LYS 79 Cb 0.48 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 2npq n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2npq s HIS 80 N -0.32 -0.63 0.54 2.13 2.46 -1.26 -5.06 115.29 113.16 2npq s HIS 80 Ca 0.31 1.50 0.24 0.00 0.47 0.00 0.00 55.06 57.58 2npq s HIS 80 Cb 0.02 0.22 1.43 0.00 -0.13 0.00 0.00 32.58 34.13 2npq s HIS 80 CO -0.19 -0.32 2.06 0.93 -2.47 0.00 0.00 174.74 174.75 2npq h GLU 81 N 5.09 0.00 -0.39 2.88 5.08 -1.98 -2.39 114.58 122.87 2npq h GLU 81 Ca -0.28 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 2npq h GLU 81 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 2npq h GLU 81 CO 0.16 0.00 0.04 0.09 -1.00 0.00 0.00 179.01 178.30 2npq n ASN 82 N -4.27 3.58 -3.90 1.42 5.03 -1.26 -4.72 115.26 111.14 2npq n ASN 82 Ca 0.04 -3.32 -0.14 0.00 0.87 0.00 0.00 54.58 52.04 2npq n ASN 82 Cb 0.40 -0.62 -0.14 0.00 -1.02 0.00 0.00 39.78 38.40 2npq n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2npq s VAL 83 N -3.01 0.17 0.36 2.41 1.01 -0.90 -0.84 120.40 119.60 2npq s VAL 83 Ca 0.46 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2npq s VAL 83 Cb 0.38 -0.16 -0.11 0.00 0.00 0.00 0.00 36.38 36.49 2npq s VAL 83 CO 0.07 0.06 1.45 -0.51 0.00 0.00 0.00 175.10 176.17 2npq s ILE 84 N 0.08 2.22 0.43 2.22 1.10 -0.53 -4.53 121.20 122.18 2npq s ILE 84 Ca -0.00 0.21 0.03 0.00 -0.51 0.00 0.00 60.65 60.38 2npq s ILE 84 Cb -0.02 -3.14 -0.03 0.00 0.15 0.00 0.00 42.46 39.42 2npq s ILE 84 CO -0.00 0.05 0.08 -0.83 -2.11 0.00 0.00 174.94 172.13 2npq s GLY 85 N -0.16 2.69 -0.27 1.50 0.00 -1.26 -4.79 107.32 105.03 2npq s GLY 85 Ca 0.53 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 2npq s GLY 85 CO 0.59 -1.95 0.18 -2.27 0.00 0.00 0.00 173.10 169.65 2npq s LEU 86 N -3.68 4.00 0.02 0.66 2.96 -1.24 -4.60 118.68 116.78 2npq s LEU 86 Ca 0.20 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2npq s LEU 86 Cb 0.03 -2.11 -0.27 0.00 0.50 0.00 0.00 46.19 44.34 2npq s LEU 86 CO 0.11 -0.03 0.90 -0.07 -1.32 0.00 0.00 176.35 175.94 2npq h LEU 87 N 8.26 0.35 -7.00 -0.68 3.38 -1.29 -3.42 115.31 114.91 2npq h LEU 87 Ca -0.36 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2npq h LEU 87 Cb 1.19 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 2npq h LEU 87 CO 0.56 1.39 0.33 -0.62 0.09 0.00 0.00 178.44 180.19 2npq s ASP 88 N -6.94 -0.53 -0.01 -0.43 2.15 -1.11 -4.53 116.67 105.26 2npq s ASP 88 Ca -0.08 0.48 0.01 0.00 0.43 0.00 0.00 52.55 53.39 2npq s ASP 88 Cb 0.07 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 43.16 2npq s ASP 88 CO 0.85 -0.57 -0.01 0.54 -0.17 0.00 0.00 175.17 175.81 2npq s VAL 89 N -1.62 0.16 0.08 1.11 0.11 -1.26 -0.75 120.40 118.23 2npq s VAL 89 Ca -0.05 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 2npq s VAL 89 Cb -0.00 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 2npq s VAL 89 CO 0.03 0.09 0.15 0.72 -3.33 0.00 0.00 175.10 172.76 2npq s PHE 90 N 0.39 0.23 0.02 1.54 -0.12 -0.55 -5.00 117.98 114.49 2npq s PHE 90 Ca -0.04 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.20 2npq s PHE 90 Cb -0.06 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.19 2npq s PHE 90 CO -0.01 -0.52 -0.11 -0.08 -0.05 0.00 0.00 175.22 174.45 2npq s THR 91 N -3.88 0.85 -0.26 -4.49 -1.32 -1.26 -1.70 115.64 103.59 2npq s THR 91 Ca 0.06 -0.73 0.26 0.00 -1.21 0.00 0.00 61.69 60.07 2npq s THR 91 Cb 0.05 -0.77 0.28 0.00 -1.51 0.00 0.00 72.50 70.56 2npq s THR 91 CO -0.10 0.04 1.79 1.55 -2.21 0.00 0.00 174.62 175.69 2npq h PRO 92 N 5.32 0.00 -6.82 7.08 0.13 -1.83 -3.45 132.00 132.43 2npq h PRO 92 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 2npq h PRO 92 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 2npq h PRO 92 CO 0.46 0.00 0.89 0.00 -0.23 0.00 0.00 178.00 179.12 2npq s ALA 93 N -3.47 3.74 -0.73 -0.56 0.00 -1.26 -4.92 121.76 114.56 2npq s ALA 93 Ca 0.02 1.60 0.25 0.00 0.00 0.00 0.00 51.96 53.83 2npq s ALA 93 Cb 0.09 -3.65 0.53 0.00 0.00 0.00 0.00 23.12 20.08 2npq s ALA 93 CO 0.39 -1.02 1.47 0.54 0.00 0.00 0.00 175.76 177.14 2npq n ARG 94 N 2.01 0.23 -3.92 0.00 1.74 -1.26 -4.97 116.66 110.48 2npq n ARG 94 Ca 0.08 0.09 -0.09 0.00 -0.77 0.00 0.00 57.85 57.16 2npq n ARG 94 Cb 0.37 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 2npq n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2npq s SER 95 N -4.03 -0.13 0.22 0.55 1.04 -1.26 -5.04 113.70 105.05 2npq s SER 95 Ca 0.08 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.65 2npq s SER 95 Cb 0.14 0.58 0.19 0.00 0.10 0.00 0.00 66.02 67.03 2npq s SER 95 CO 0.68 -1.10 1.86 0.25 0.98 0.00 0.00 173.24 175.90 2npq h LEU 96 N 2.26 1.06 -1.90 2.42 5.85 -1.96 -2.16 115.31 120.87 2npq h LEU 96 Ca -0.27 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2npq h LEU 96 Cb 1.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2npq h LEU 96 CO 0.36 0.84 0.11 -0.33 -0.34 0.00 0.00 178.44 179.08 2npq h GLU 97 N 1.20 0.13 -0.00 1.25 3.07 -2.02 -0.98 114.58 117.23 2npq h GLU 97 Ca 0.31 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2npq h GLU 97 Cb -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2npq h GLU 97 CO -0.05 0.09 -0.25 0.39 -1.40 0.00 0.00 179.01 177.78 2npq n GLU 98 N -4.51 0.39 -2.25 2.33 1.02 -0.92 -4.93 120.64 111.77 2npq n GLU 98 Ca -0.00 -0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.55 2npq n GLU 98 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2npq n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2npq s PHE 99 N -2.74 2.05 0.00 -0.32 5.36 -0.37 -4.67 117.98 117.29 2npq s PHE 99 Ca 0.20 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2npq s PHE 99 Cb 0.19 -4.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 2npq s PHE 99 CO 0.57 -2.20 0.00 0.09 -1.46 0.00 0.00 175.22 172.22 2npq n ASN 100 N 10.51 2.49 -4.19 6.13 3.02 -1.26 -5.05 115.26 126.91 2npq n ASN 100 Ca 0.15 -0.02 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 2npq n ASN 100 Cb 0.50 0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 40.08 2npq n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2npq s ASP 101 N -1.04 1.91 -0.03 6.41 1.01 -1.26 -4.72 116.67 118.95 2npq s ASP 101 Ca 0.00 -0.57 0.02 0.00 0.71 0.00 0.00 52.55 52.71 2npq s ASP 101 Cb 0.00 -0.10 0.01 0.00 1.01 0.00 0.00 42.92 43.84 2npq s ASP 101 CO 0.00 0.01 -0.07 -0.69 0.21 0.00 0.00 175.17 174.62 2npq s VAL 102 N -1.07 0.67 -0.03 -1.27 1.01 -1.26 -4.56 120.40 113.89 2npq s VAL 102 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2npq s VAL 102 Cb -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2npq s VAL 102 CO 0.02 0.22 -0.16 -0.31 0.00 0.00 0.00 175.10 174.87 2npq s TYR 103 N 0.38 1.57 -0.09 5.22 1.51 -0.69 -1.54 117.35 123.71 2npq s TYR 103 Ca -0.06 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2npq s TYR 103 Cb -0.10 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2npq s TYR 103 CO 0.00 -0.10 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.65 2npq s LEU 104 N -0.15 2.39 -0.14 -1.29 1.43 -0.12 -1.48 118.68 119.31 2npq s LEU 104 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2npq s LEU 104 Cb -0.09 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2npq s LEU 104 CO 0.01 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 175.91 2npq s VAL 105 N 0.06 2.27 0.31 -1.59 1.01 0.07 -0.28 120.40 122.25 2npq s VAL 105 Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2npq s VAL 105 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2npq s VAL 105 CO 0.05 0.54 0.09 0.42 0.00 0.00 0.00 175.10 176.20 2npq s THR 106 N 0.77 0.80 0.37 3.92 -4.23 -0.30 -0.72 115.64 116.25 2npq s THR 106 Ca -0.08 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.17 2npq s THR 106 Cb -0.16 -2.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.91 2npq s THR 106 CO -0.00 0.00 1.20 1.41 -0.54 0.00 0.00 174.62 176.69 2npq n HIS 107 N -0.62 1.91 -2.94 3.99 8.25 -1.26 -0.35 115.22 124.20 2npq n HIS 107 Ca -0.02 0.56 -0.43 0.00 -0.26 0.00 0.00 57.72 57.58 2npq n HIS 107 Cb 0.66 -2.35 -0.05 0.00 1.12 0.00 0.00 29.99 29.37 2npq n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2npq s LEU 108 N -0.95 4.16 0.02 2.41 2.96 -0.64 -4.12 118.68 122.52 2npq s LEU 108 Ca 0.59 0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.58 2npq s LEU 108 Cb -0.56 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2npq s LEU 108 CO 0.60 -0.83 0.32 -0.04 -1.32 0.00 0.00 176.35 175.08 2npq s MET 109 N 3.24 3.67 0.10 1.98 -1.94 -1.26 -4.85 119.30 120.24 2npq s MET 109 Ca 0.31 0.06 -0.08 0.00 -1.71 0.00 0.00 55.69 54.27 2npq s MET 109 Cb -0.12 -3.07 -0.17 0.00 2.01 0.00 0.00 34.83 33.48 2npq s MET 109 CO 0.20 0.63 1.24 0.78 -0.01 0.00 0.00 175.02 177.86 2npq h GLY 110 N 4.02 0.58 -2.67 -0.03 0.00 -1.97 -3.48 103.07 99.53 2npq h GLY 110 Ca -0.50 -1.05 -0.17 0.00 0.00 0.00 0.00 47.33 45.60 2npq h GLY 110 CO 0.65 0.93 -0.50 0.00 0.00 0.00 0.00 176.54 177.62 2npq s ALA 111 N -3.23 0.65 0.39 3.60 0.00 -1.14 -5.06 121.76 116.97 2npq s ALA 111 Ca -0.07 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.54 2npq s ALA 111 Cb 0.08 1.08 -0.00 0.00 0.00 0.00 0.00 23.12 24.28 2npq s ALA 111 CO 0.89 -0.61 0.03 -0.40 0.00 0.00 0.00 175.76 175.68 2npq n ASP 112 N -0.22 2.66 -0.00 0.00 5.68 -1.26 -2.01 116.55 121.40 2npq n ASP 112 Ca -0.03 -2.79 0.14 0.00 -0.50 0.00 0.00 54.79 51.61 2npq n ASP 112 Cb 0.64 0.42 0.65 0.00 -1.14 0.00 0.00 41.12 41.70 2npq n ASP 112 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2npq n LEU 113 N 0.00 0.01 -4.56 -2.12 4.32 -0.70 -4.78 117.00 109.17 2npq n LEU 113 Ca -0.14 0.43 -0.36 0.00 -0.02 0.00 0.00 56.01 55.92 2npq n LEU 113 Cb 0.51 -0.44 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 2npq n LEU 113 CO 0.28 0.00 1.48 0.21 -1.22 0.00 0.00 177.39 178.14 2npq s ASN 114 N -2.88 5.99 0.00 -1.43 3.04 -1.25 -4.97 114.94 113.44 2npq s ASN 114 Ca 0.18 -1.30 0.00 0.00 0.04 0.00 0.00 52.86 51.78 2npq s ASN 114 Cb 0.19 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 37.33 2npq s ASN 114 CO 0.51 -1.99 0.00 1.67 -3.04 0.00 0.00 177.10 174.26 2npq n GLN 120 N 8.80 0.00 -2.97 0.43 0.00 -1.26 -5.09 117.38 117.28 2npq n GLN 120 Ca 0.38 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 57.02 2npq n GLN 120 Cb 0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 30.24 30.55 2npq n GLN 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2npq s LYS 121 N -0.61 4.35 0.48 3.69 1.02 -1.26 -5.04 119.74 122.37 2npq s LYS 121 Ca 0.00 1.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 2npq s LYS 121 Cb 0.00 -2.77 -0.07 0.00 -0.52 0.00 0.00 37.83 34.47 2npq s LYS 121 CO 0.00 0.30 1.14 -0.51 -0.92 0.00 0.00 175.35 175.37 2npq s LEU 122 N -2.17 3.95 0.69 3.17 1.43 -1.26 -5.03 118.68 119.47 2npq s LEU 122 Ca 0.48 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.68 2npq s LEU 122 Cb -0.16 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.74 2npq s LEU 122 CO 0.21 -0.96 1.12 0.42 0.23 0.00 0.00 176.35 177.37 2npq s THR 123 N -1.62 3.11 0.28 5.49 -4.23 -1.26 -4.82 115.64 112.58 2npq s THR 123 Ca 0.66 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2npq s THR 123 Cb -0.27 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.85 2npq s THR 123 CO 0.32 -0.35 1.83 -0.78 -0.54 0.00 0.00 174.62 175.11 2npq h ASP 124 N -0.24 0.90 -0.46 3.99 3.58 -1.97 0.10 116.42 122.32 2npq h ASP 124 Ca -0.46 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 2npq h ASP 124 Cb 1.25 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 2npq h ASP 124 CO 0.53 0.49 0.27 0.44 -2.88 0.00 0.00 179.24 178.08 2npq h ASP 125 N 0.98 0.58 0.11 2.28 3.32 -1.99 0.23 116.42 121.93 2npq h ASP 125 Ca 0.48 -0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.27 2npq h ASP 125 Cb 0.45 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.88 2npq h ASP 125 CO -0.26 0.47 -0.96 -0.74 -1.72 0.00 0.00 179.24 176.03 2npq h HIS 126 N 0.67 0.75 -0.62 4.55 2.76 -1.72 -2.55 115.15 119.00 2npq h HIS 126 Ca 0.17 -0.49 0.01 0.00 -2.20 0.00 0.00 60.37 57.86 2npq h HIS 126 Cb 0.01 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2npq h HIS 126 CO 0.00 1.35 0.41 0.28 -1.30 0.00 0.00 177.93 178.67 2npq h VAL 127 N -0.06 1.16 -0.54 5.26 2.07 -0.75 -1.90 116.25 121.49 2npq h VAL 127 Ca -0.15 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2npq h VAL 127 Cb 1.70 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2npq h VAL 127 CO 0.18 0.15 0.11 1.56 0.02 0.00 0.00 177.57 179.59 2npq h GLN 128 N 0.83 0.24 -0.51 1.57 4.20 -0.94 -1.43 115.11 119.07 2npq h GLN 128 Ca 0.23 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 2npq h GLN 128 Cb -0.10 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2npq h GLN 128 CO -0.05 0.16 -0.01 0.35 -0.67 0.00 0.00 178.83 178.60 2npq h PHE 129 N 0.24 1.00 -0.17 2.96 3.57 -1.12 -0.50 116.94 122.92 2npq h PHE 129 Ca 0.27 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2npq h PHE 129 Cb 0.38 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2npq h PHE 129 CO -0.24 0.93 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.64 2npq h LEU 130 N 0.78 0.36 -0.76 0.59 3.38 -1.08 -2.51 115.31 116.07 2npq h LEU 130 Ca 0.14 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2npq h LEU 130 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2npq h LEU 130 CO 0.03 0.67 -0.44 0.40 0.09 0.00 0.00 178.44 179.19 2npq h ILE 131 N 0.05 1.31 -0.50 1.22 1.08 -1.24 -1.78 117.51 117.65 2npq h ILE 131 Ca 0.04 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 62.92 2npq h ILE 131 Cb 0.52 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 2npq h ILE 131 CO 0.02 0.49 0.31 0.22 -0.69 0.00 0.00 178.15 178.50 2npq h TYR 132 N 0.34 0.57 -0.39 1.37 3.20 -1.05 -0.57 116.97 120.44 2npq h TYR 132 Ca 0.03 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2npq h TYR 132 Cb 0.91 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2npq h TYR 132 CO 0.03 0.34 -0.29 1.96 -1.64 0.00 0.00 178.16 178.55 2npq h GLN 133 N 0.61 0.89 -0.12 1.82 4.20 -1.13 0.66 115.11 122.03 2npq h GLN 133 Ca 0.19 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.52 2npq h GLN 133 Cb -0.01 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2npq h GLN 133 CO -0.08 1.08 -0.22 0.82 -0.67 0.00 0.00 178.83 179.77 2npq h ILE 134 N 0.70 0.47 -0.44 2.54 2.04 -1.00 -1.41 117.51 120.41 2npq h ILE 134 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2npq h ILE 134 Cb 0.87 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2npq h ILE 134 CO 0.08 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.31 2npq h LEU 135 N -0.28 0.58 0.06 1.44 3.38 -0.84 0.16 115.31 119.81 2npq h LEU 135 Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2npq h LEU 135 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2npq h LEU 135 CO -0.28 0.55 -0.03 -0.09 0.09 0.00 0.00 178.44 178.68 2npq h ARG 136 N 0.63 -0.07 -0.73 1.13 2.43 -0.56 0.22 114.38 117.43 2npq h ARG 136 Ca 0.15 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2npq h ARG 136 Cb 0.17 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 2npq h ARG 136 CO -0.01 0.18 0.40 0.78 -1.51 0.00 0.00 179.97 179.80 2npq h GLY 137 N -0.32 1.10 1.44 2.80 0.00 -1.06 -2.84 103.07 104.18 2npq h GLY 137 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 2npq h GLY 137 CO 0.01 0.12 -0.29 1.41 0.00 0.00 0.00 176.54 177.79 2npq h LEU 138 N 0.70 0.66 -0.45 3.11 3.38 -0.50 -1.29 115.31 120.92 2npq h LEU 138 Ca 0.35 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2npq h LEU 138 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2npq h LEU 138 CO -0.23 0.92 0.18 0.50 0.09 0.00 0.00 178.44 179.90 2npq h LYS 139 N 0.55 0.35 0.29 1.13 3.64 -0.79 0.72 116.57 122.46 2npq h LYS 139 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2npq h LYS 139 Cb 0.78 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2npq h LYS 139 CO 0.06 0.23 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.39 2npq h TYR 140 N 0.36 -0.42 -0.26 1.91 3.20 -1.26 -0.74 116.97 119.76 2npq h TYR 140 Ca 0.21 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2npq h TYR 140 Cb 0.18 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2npq h TYR 140 CO -0.14 -0.26 0.14 0.82 -1.64 0.00 0.00 178.16 177.09 2npq h ILE 141 N -0.42 1.02 -0.23 1.81 2.04 -0.96 -2.24 117.51 118.53 2npq h ILE 141 Ca -0.03 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2npq h ILE 141 Cb 0.34 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2npq h ILE 141 CO 0.04 0.05 -0.02 0.45 0.00 0.00 0.00 178.15 178.67 2npq h HIS 142 N 0.30 0.35 0.00 1.37 3.86 -0.78 -1.85 115.15 118.40 2npq h HIS 142 Ca 0.10 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2npq h HIS 142 Cb 0.01 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2npq h HIS 142 CO -0.08 0.38 -0.08 0.66 0.86 0.00 0.00 177.93 179.67 2npq h SER 143 N 0.34 0.00 -0.11 2.45 4.64 -0.53 -1.46 113.55 118.88 2npq h SER 143 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2npq h SER 143 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2npq h SER 143 CO 0.01 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2npq n ALA 144 N -2.22 2.52 -4.06 5.18 0.00 -0.72 -4.69 120.51 116.53 2npq n ALA 144 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 2npq n ALA 144 Cb 0.22 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2npq n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2npq n ASP 145 N -0.21 -4.02 -4.67 0.00 10.43 -0.55 -3.98 116.55 113.55 2npq n ASP 145 Ca 0.09 -0.89 -0.35 0.00 2.57 0.00 0.00 54.79 56.22 2npq n ASP 145 Cb 0.14 -3.36 -0.10 0.00 1.84 0.00 0.00 41.12 39.65 2npq n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2npq s ILE 146 N -3.31 4.40 -0.16 0.53 1.01 -1.06 -5.05 121.20 117.56 2npq s ILE 146 Ca 0.68 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 2npq s ILE 146 Cb -0.36 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2npq s ILE 146 CO 0.88 0.57 -0.05 -0.63 0.00 0.00 0.00 174.94 175.71 2npq s ILE 147 N -0.58 3.69 0.01 2.92 1.01 -1.26 -3.83 121.20 123.16 2npq s ILE 147 Ca 0.10 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 2npq s ILE 147 Cb -0.12 -2.61 -0.15 0.00 0.01 0.00 0.00 42.46 39.59 2npq s ILE 147 CO 0.02 0.49 1.16 -0.74 0.00 0.00 0.00 174.94 175.87 2npq h HIS 148 N 6.86 -0.63 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.91 2npq h HIS 148 Ca -0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2npq h HIS 148 Cb 1.19 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.81 2npq h HIS 148 CO 0.53 -0.31 0.00 0.54 -0.00 0.00 0.00 177.93 178.70 2npq n ARG 149 N -5.27 0.00 -2.76 5.26 1.74 -1.26 -4.79 116.66 109.58 2npq n ARG 149 Ca -0.11 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.95 2npq n ARG 149 Cb 0.31 -1.17 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 2npq n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2npq n ASP 150 N 0.00 0.73 -4.73 0.55 2.03 -1.26 -4.95 116.55 108.92 2npq n ASP 150 Ca 0.00 -2.22 -0.42 0.00 0.52 0.00 0.00 54.79 52.67 2npq n ASP 150 Cb 0.00 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 2npq n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2npq s LEU 151 N -3.69 4.39 0.01 -2.67 1.43 -1.26 -4.84 118.68 112.05 2npq s LEU 151 Ca 0.23 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.45 2npq s LEU 151 Cb 0.38 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 43.10 2npq s LEU 151 CO -0.04 -0.63 0.99 -1.59 0.23 0.00 0.00 176.35 175.30 2npq s LYS 152 N 0.58 0.82 0.47 1.70 -2.85 -1.26 -4.80 119.74 114.39 2npq s LYS 152 Ca 0.62 -0.37 0.22 0.00 -1.00 0.00 0.00 55.97 55.44 2npq s LYS 152 Cb -0.38 0.33 1.22 0.00 -2.06 0.00 0.00 37.83 36.95 2npq s LYS 152 CO 0.34 -0.37 1.90 -1.35 0.10 0.00 0.00 175.35 175.97 2npq h PRO 153 N 2.00 0.24 0.00 1.78 0.11 -1.93 -0.24 132.00 133.97 2npq h PRO 153 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2npq h PRO 153 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2npq h PRO 153 CO 0.28 0.16 0.00 0.66 -0.21 0.00 0.00 178.00 178.89 2npq h SER 154 N 0.25 0.00 -0.52 -2.05 4.64 -1.96 -2.29 113.55 111.62 2npq h SER 154 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2npq h SER 154 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2npq h SER 154 CO -0.10 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.45 2npq n ASN 155 N -2.54 4.71 -3.90 4.97 3.02 -0.10 -4.80 115.26 116.62 2npq n ASN 155 Ca 0.03 -2.63 -0.30 0.00 -0.03 0.00 0.00 54.58 51.64 2npq n ASN 155 Cb 0.32 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.72 2npq n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2npq s LEU 156 N -2.07 3.06 0.17 3.41 1.43 -0.89 -0.94 118.68 122.84 2npq s LEU 156 Ca 0.46 -1.58 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 2npq s LEU 156 Cb 0.33 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 2npq s LEU 156 CO 0.17 -0.33 0.70 0.00 0.23 0.00 0.00 176.35 177.12 2npq s ALA 157 N 1.33 3.47 0.04 4.21 0.00 -0.25 -1.71 121.76 128.86 2npq s ALA 157 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2npq s ALA 157 Cb -0.18 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2npq s ALA 157 CO -0.12 0.34 -0.11 0.14 0.00 0.00 0.00 175.76 176.00 2npq s VAL 158 N -1.30 0.89 0.00 0.00 -7.23 -0.85 -0.62 120.40 111.28 2npq s VAL 158 Ca 0.37 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2npq s VAL 158 Cb -0.19 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2npq s VAL 158 CO 0.22 -0.10 0.00 -0.46 -0.31 0.00 0.00 175.10 174.45 2npq n ASN 159 N 1.84 0.00 -0.12 4.85 0.23 -0.78 -2.88 115.26 118.41 2npq n ASN 159 Ca -0.19 -0.90 -0.12 0.00 -0.53 0.00 0.00 54.58 52.84 2npq n ASN 159 Cb 0.55 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.22 2npq n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2npq h GLU 160 N 0.00 0.81 0.00 -3.83 5.08 -2.01 -2.74 114.58 111.88 2npq h GLU 160 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2npq h GLU 160 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2npq h GLU 160 CO 0.00 1.02 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 2npq n ASP 161 N -4.22 0.00 -0.83 1.42 8.00 -1.26 -4.79 116.55 114.86 2npq n ASP 161 Ca -0.02 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.11 2npq n ASP 161 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 2npq n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2npq s GLU 163 N -2.90 4.52 0.02 0.00 2.02 -1.26 -4.83 118.70 116.27 2npq s GLU 163 Ca 0.00 1.35 0.06 0.00 0.02 0.00 0.00 54.97 56.41 2npq s GLU 163 Cb 0.00 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2npq s GLU 163 CO 0.00 -0.08 -0.17 -1.17 0.02 0.00 0.00 175.26 173.86 2npq s LEU 164 N 1.15 2.66 -0.02 1.80 0.20 -1.26 -1.86 118.68 121.34 2npq s LEU 164 Ca 0.50 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.98 2npq s LEU 164 Cb -0.20 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 2npq s LEU 164 CO 0.25 0.28 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.97 2npq s LYS 165 N -1.27 0.89 0.03 1.98 1.02 0.20 -4.29 119.74 118.31 2npq s LYS 165 Ca 0.14 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 2npq s LYS 165 Cb -0.11 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 2npq s LYS 165 CO 0.04 0.10 1.05 0.42 -0.92 0.00 0.00 175.35 176.04 2npq s ILE 166 N 0.22 4.57 0.12 2.17 1.01 -0.02 -1.09 121.20 128.19 2npq s ILE 166 Ca -0.03 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.52 2npq s ILE 166 Cb -0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2npq s ILE 166 CO 0.00 0.16 0.16 -0.76 0.00 0.00 0.00 174.94 174.51 2npq s LEU 167 N 0.91 4.00 0.13 2.97 1.43 -0.12 -1.45 118.68 126.54 2npq s LEU 167 Ca 0.54 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.57 2npq s LEU 167 Cb -0.24 -2.62 -0.08 0.00 0.03 0.00 0.00 46.19 43.29 2npq s LEU 167 CO 0.29 0.11 1.36 -2.24 0.23 0.00 0.00 176.35 176.09 2npq h ASP 168 N 2.69 0.81 0.00 2.29 2.03 -1.96 -3.46 116.42 118.82 2npq h ASP 168 Ca -0.47 -0.52 0.00 0.00 -0.73 0.00 0.00 57.03 55.31 2npq h ASP 168 Cb 1.18 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 2npq h ASP 168 CO 0.67 1.30 0.00 0.49 -1.03 0.00 0.00 179.24 180.67 2npq n PHE 169 N -3.92 0.00 0.94 4.15 3.01 -1.26 -5.04 117.46 115.34 2npq n PHE 169 Ca -0.06 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.51 2npq n PHE 169 Cb 0.72 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.23 2npq n PHE 169 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2npq n ALA 184 N 2.17 4.14 -1.90 4.37 0.00 -1.26 -5.20 120.51 122.84 2npq n ALA 184 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 2npq n ALA 184 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2npq n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2npq s THR 185 N -3.03 2.57 -0.96 0.00 2.01 -1.26 -4.92 115.64 110.05 2npq s THR 185 Ca 0.09 0.43 0.14 0.00 0.31 0.00 0.00 61.69 62.66 2npq s THR 185 Cb 0.16 -3.28 0.42 0.00 0.01 0.00 0.00 72.50 69.81 2npq s THR 185 CO 0.80 0.05 1.35 -2.11 -0.69 0.00 0.00 174.62 174.01 2npq n ARG 186 N 3.37 2.94 0.22 4.92 1.85 -1.26 -4.73 116.66 123.98 2npq n ARG 186 Ca 0.11 -2.31 0.16 0.00 -1.00 0.00 0.00 57.85 54.81 2npq n ARG 186 Cb 0.39 -1.44 0.71 0.00 -1.05 0.00 0.00 32.46 31.07 2npq n ARG 186 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 2npq h TRP 187 N 2.45 0.00 -0.20 2.89 6.55 -1.91 -2.48 115.95 123.25 2npq h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2npq h TRP 187 Cb 0.93 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 2npq h TRP 187 CO 0.35 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.40 2npq n TYR 188 N -2.67 0.25 -2.60 0.49 4.01 -1.26 -4.61 117.16 110.77 2npq n TYR 188 Ca -0.00 -0.21 -0.40 0.00 -0.16 0.00 0.00 57.90 57.12 2npq n TYR 188 Cb 0.18 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 2npq n TYR 188 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2npq s ARG 189 N -1.10 4.72 0.48 -0.72 0.52 -0.94 -3.78 118.95 118.13 2npq s ARG 189 Ca 0.22 1.65 -0.23 0.00 -0.52 0.00 0.00 55.73 56.85 2npq s ARG 189 Cb 0.13 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 2npq s ARG 189 CO 0.19 0.31 1.29 0.00 0.02 0.00 0.00 175.30 177.10 2npq s ALA 190 N -0.96 2.99 0.47 2.13 0.00 -1.26 -4.91 121.76 120.22 2npq s ALA 190 Ca 0.44 1.19 0.12 0.00 0.00 0.00 0.00 51.96 53.70 2npq s ALA 190 Cb -0.29 -3.49 1.07 0.00 0.00 0.00 0.00 23.12 20.41 2npq s ALA 190 CO 0.36 -1.00 2.10 -1.00 0.00 0.00 0.00 175.76 176.22 2npq h PRO 191 N 1.98 0.27 -0.17 0.00 0.13 -1.95 -1.77 132.00 130.49 2npq h PRO 191 Ca -0.50 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2npq h PRO 191 Cb 1.27 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2npq h PRO 191 CO 0.60 0.18 -0.24 1.05 -0.23 0.00 0.00 178.00 179.35 2npq h GLU 192 N 0.27 0.31 -0.52 0.86 9.09 -1.91 -1.66 114.58 121.02 2npq h GLU 192 Ca 0.08 -0.10 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 2npq h GLU 192 Cb -0.01 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 2npq h GLU 192 CO -0.02 0.54 -0.13 0.82 0.05 0.00 0.00 179.01 180.27 2npq h ILE 193 N 0.28 1.27 0.00 -1.06 2.04 -1.69 -1.53 117.51 116.82 2npq h ILE 193 Ca 0.05 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2npq h ILE 193 Cb 0.58 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2npq h ILE 193 CO 0.04 0.45 0.00 0.24 0.00 0.00 0.00 178.15 178.88 2npq h MET 194 N 0.88 0.00 -0.36 2.37 2.86 -1.26 -1.82 114.93 117.60 2npq h MET 194 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2npq h MET 194 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2npq h MET 194 CO 0.05 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.30 2npq n LEU 195 N -2.84 2.98 -3.57 1.22 4.77 -0.68 -4.96 117.00 113.93 2npq n LEU 195 Ca 0.01 -1.30 -0.22 0.00 -0.03 0.00 0.00 56.01 54.47 2npq n LEU 195 Cb 0.28 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 2npq n LEU 195 CO 0.25 0.65 0.16 -3.20 -1.33 0.00 0.00 177.39 173.92 2npq n ASN 196 N 1.18 -4.13 -0.22 -1.43 4.05 -0.68 -4.91 115.26 109.11 2npq n ASN 196 Ca 0.19 -0.61 -0.03 0.00 0.45 0.00 0.00 54.58 54.58 2npq n ASN 196 Cb 0.53 -4.91 0.17 0.00 1.23 0.00 0.00 39.78 36.80 2npq n ASN 196 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 177.26 173.96 2npq h TRP 197 N -2.28 1.02 -1.46 1.20 2.91 -1.52 -3.50 115.95 112.33 2npq h TRP 197 Ca -0.58 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.40 2npq h TRP 197 Cb 1.36 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 2npq h TRP 197 CO 0.48 0.74 0.00 -1.33 -1.03 0.00 0.00 178.44 177.30 2npq n MET 198 N -4.33 0.00 -4.01 2.65 2.81 -1.26 -4.91 117.12 108.07 2npq n MET 198 Ca 0.07 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.64 2npq n MET 198 Cb 0.14 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.60 2npq n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2npq n HIS 199 N -0.96 -1.49 -1.82 2.03 -0.00 -1.26 -4.82 115.22 106.89 2npq n HIS 199 Ca 0.00 0.57 -0.40 0.00 -0.00 0.00 0.00 57.72 57.89 2npq n HIS 199 Cb 0.00 -2.08 0.01 0.00 -0.00 0.00 0.00 29.99 27.92 2npq n HIS 199 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2npq s TYR 200 N -3.01 2.54 0.37 4.41 1.51 -1.26 -5.01 117.35 116.90 2npq s TYR 200 Ca 0.63 1.24 -0.05 0.00 -1.01 0.00 0.00 57.07 57.88 2npq s TYR 200 Cb -0.36 -3.93 -0.05 0.00 -0.11 0.00 0.00 41.96 37.51 2npq s TYR 200 CO 0.78 -2.88 0.66 -0.80 -1.11 0.00 0.00 175.55 172.19 2npq s ASN 201 N -0.40 6.39 0.58 2.29 0.01 -1.26 -4.96 114.94 117.59 2npq s ASN 201 Ca 0.58 0.81 0.28 0.00 -0.71 0.00 0.00 52.86 53.82 2npq s ASN 201 Cb -0.44 -2.19 1.53 0.00 0.41 0.00 0.00 41.25 40.56 2npq s ASN 201 CO 0.58 -0.35 2.00 1.56 -1.51 0.00 0.00 177.10 179.38 2npq h GLN 202 N 1.07 0.00 0.00 -0.60 4.20 -1.94 -2.24 115.11 115.59 2npq h GLN 202 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2npq h GLN 202 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2npq h GLN 202 CO 0.64 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.05 2npq n THR 203 N -3.87 0.15 -0.28 -0.54 -2.24 -1.26 -1.46 114.28 104.77 2npq n THR 203 Ca 0.06 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 2npq n THR 203 Cb 0.52 -0.75 0.40 0.00 -2.10 0.00 0.00 70.33 68.40 2npq n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2npq h VAL 204 N 0.00 0.77 -0.01 2.28 -1.51 -1.78 -2.11 116.25 113.90 2npq h VAL 204 Ca 0.00 -0.22 -0.13 0.00 -1.23 0.00 0.00 66.70 65.13 2npq h VAL 204 Cb 0.05 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.27 2npq h VAL 204 CO 0.00 0.12 -0.59 0.44 -1.23 0.00 0.00 177.57 176.30 2npq h ASP 205 N 0.63 0.03 0.33 4.19 3.32 -1.50 -2.90 116.42 120.52 2npq h ASP 205 Ca 0.48 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.42 2npq h ASP 205 Cb 0.88 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2npq h ASP 205 CO -0.23 0.62 -0.41 0.40 -1.72 0.00 0.00 179.24 177.89 2npq h ILE 206 N 0.02 1.31 -0.45 0.35 1.08 -1.52 -1.61 117.51 116.67 2npq h ILE 206 Ca -0.01 -1.47 -0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2npq h ILE 206 Cb 1.06 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 2npq h ILE 206 CO 0.08 0.43 0.27 -0.25 -0.69 0.00 0.00 178.15 177.99 2npq h TRP 207 N 0.10 0.59 -0.67 1.37 2.91 -1.30 -0.82 115.95 118.12 2npq h TRP 207 Ca 0.01 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2npq h TRP 207 Cb 0.77 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 29.20 2npq h TRP 207 CO 0.01 0.42 0.21 0.77 -1.03 0.00 0.00 178.44 178.81 2npq h SER 208 N 0.60 0.98 -0.71 2.65 0.02 -1.34 -1.89 113.55 113.87 2npq h SER 208 Ca 0.16 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2npq h SER 208 Cb -0.01 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2npq h SER 208 CO -0.03 0.93 0.47 0.58 -1.14 0.00 0.00 176.83 177.64 2npq h VAL 209 N 0.98 1.18 -0.62 2.27 2.07 -0.96 -1.27 116.25 119.91 2npq h VAL 209 Ca 0.22 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2npq h VAL 209 Cb 0.30 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2npq h VAL 209 CO -0.01 0.18 0.36 1.23 0.02 0.00 0.00 177.57 179.35 2npq h GLY 210 N 0.96 0.90 1.20 2.17 0.00 -0.44 0.33 103.07 108.19 2npq h GLY 210 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2npq h GLY 210 CO -0.06 0.19 0.24 0.00 0.00 0.00 0.00 176.54 176.91 2npq h ILE 212 N 0.99 1.33 -0.10 0.00 2.04 -0.68 -2.74 117.51 118.33 2npq h ILE 212 Ca 0.22 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 2npq h ILE 212 Cb 0.24 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2npq h ILE 212 CO -0.01 0.45 0.05 -0.03 0.00 0.00 0.00 178.15 178.60 2npq h MET 213 N 0.23 0.15 -0.56 2.37 4.05 -0.81 -0.81 114.93 119.55 2npq h MET 213 Ca 0.03 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 2npq h MET 213 Cb 0.83 -0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.50 2npq h MET 213 CO 0.06 0.23 -0.07 0.00 0.23 0.00 0.00 176.91 177.36 2npq h ALA 214 N 0.92 0.45 -0.38 0.39 0.00 -1.12 -1.23 119.26 118.28 2npq h ALA 214 Ca 0.04 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2npq h ALA 214 Cb 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2npq h ALA 214 CO -0.00 -0.42 -0.14 1.49 0.00 0.00 0.00 179.25 180.18 2npq h GLU 215 N 0.05 0.69 -0.13 0.00 4.81 -1.13 -1.55 114.58 117.33 2npq h GLU 215 Ca 0.28 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2npq h GLU 215 Cb 0.43 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2npq h GLU 215 CO -0.53 0.80 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.31 2npq h LEU 216 N 0.62 0.20 -0.07 1.64 3.38 -0.23 0.12 115.31 120.98 2npq h LEU 216 Ca 0.10 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 2npq h LEU 216 Cb 0.60 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2npq h LEU 216 CO 0.04 0.39 -1.05 -0.07 0.09 0.00 0.00 178.44 177.84 2npq h LEU 217 N 0.19 0.38 0.00 1.67 3.38 -0.41 -3.38 115.31 117.14 2npq h LEU 217 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2npq h LEU 217 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2npq h LEU 217 CO 0.03 1.21 -0.98 0.35 0.09 0.00 0.00 178.44 179.13 2npq n THR 218 N -3.61 0.00 -1.04 0.22 -2.24 -0.67 -4.93 114.28 102.01 2npq n THR 218 Ca -0.06 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2npq n THR 218 Cb 0.91 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 2npq n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npq n GLY 219 N 1.46 0.17 3.24 3.38 0.00 0.42 -5.02 105.19 108.84 2npq n GLY 219 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2npq n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2npq s ARG 220 N -1.97 1.03 0.12 1.61 1.70 -1.24 -5.03 118.95 115.16 2npq s ARG 220 Ca 0.00 -1.06 -0.35 0.00 -0.47 0.00 0.00 55.73 53.85 2npq s ARG 220 Cb 0.00 -1.19 -0.15 0.00 -0.57 0.00 0.00 34.95 33.04 2npq s ARG 220 CO 0.00 0.28 1.51 2.41 -1.08 0.00 0.00 175.30 178.42 2npq n THR 221 N 1.22 0.03 -0.05 4.99 -1.04 -1.26 -4.14 114.28 114.04 2npq n THR 221 Ca -0.20 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 2npq n THR 221 Cb 0.54 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 2npq n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2npq h LEU 222 N 5.63 0.30 -6.00 -4.42 5.85 -1.92 -3.38 115.31 111.37 2npq h LEU 222 Ca -0.46 -0.37 -0.57 0.00 0.84 0.00 0.00 57.88 57.32 2npq h LEU 222 Cb 1.28 -0.08 -0.41 0.00 0.37 0.00 0.00 40.66 41.82 2npq h LEU 222 CO 0.85 0.59 -0.83 0.49 -0.34 0.00 0.00 178.44 179.21 2npq n PHE 223 N -4.69 2.05 -1.16 1.25 3.72 -1.26 -5.03 117.46 112.34 2npq n PHE 223 Ca -0.05 -3.91 -0.33 0.00 -0.05 0.00 0.00 57.45 53.11 2npq n PHE 223 Cb 0.26 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 2npq n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2npq n PRO 224 N 0.85 3.20 -1.74 -1.08 -0.04 -1.26 -4.71 135.00 130.22 2npq n PRO 224 Ca 0.27 -1.92 -0.34 0.00 -0.04 0.00 0.00 63.50 61.46 2npq n PRO 224 Cb 0.47 -2.64 0.06 0.00 -0.04 0.00 0.00 33.50 31.35 2npq n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2npq s GLY 225 N 2.39 2.43 0.15 0.55 0.00 -1.26 -4.95 107.32 106.62 2npq s GLY 225 Ca 0.63 0.83 0.22 0.00 0.00 0.00 0.00 44.72 46.39 2npq s GLY 225 CO -0.05 1.21 0.92 -1.30 0.00 0.00 0.00 173.10 173.88 2npq n THR 226 N -2.22 0.64 -4.03 0.90 -2.24 -1.26 -4.83 114.28 101.24 2npq n THR 226 Ca 0.13 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 2npq n THR 226 Cb 0.51 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 2npq n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2npq n ASP 227 N -2.66 -1.31 0.11 3.42 5.68 -1.26 -5.02 116.55 115.51 2npq n ASP 227 Ca -0.02 -2.79 -0.01 0.00 -0.50 0.00 0.00 54.79 51.46 2npq n ASP 227 Cb 0.60 2.44 0.23 0.00 -1.14 0.00 0.00 41.12 43.25 2npq n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2npq h HIS 228 N 1.96 0.20 -0.39 2.11 3.86 -1.99 -0.93 115.15 119.98 2npq h HIS 228 Ca -0.26 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 58.79 2npq h HIS 228 Cb 1.13 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 2npq h HIS 228 CO 0.00 0.59 -0.16 0.82 0.86 0.00 0.00 177.93 180.04 2npq h ILE 229 N 0.14 1.28 -0.64 2.45 1.08 -1.98 -1.21 117.51 118.64 2npq h ILE 229 Ca 0.01 -1.28 -0.03 0.00 -0.39 0.00 0.00 64.86 63.17 2npq h ILE 229 Cb 0.85 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 2npq h ILE 229 CO 0.07 0.43 0.28 -0.78 -0.69 0.00 0.00 178.15 177.45 2npq h ASP 230 N 0.61 0.86 -0.69 1.72 3.58 -1.90 -0.52 116.42 120.08 2npq h ASP 230 Ca 0.09 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2npq h ASP 230 Cb 0.70 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2npq h ASP 230 CO 0.05 0.78 0.36 -0.61 -2.88 0.00 0.00 179.24 176.94 2npq h GLN 231 N 0.89 0.97 -0.46 0.28 4.15 -1.11 -1.86 115.11 117.97 2npq h GLN 231 Ca 0.21 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 2npq h GLN 231 Cb 0.17 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2npq h GLN 231 CO -0.02 0.75 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.55 2npq h LEU 232 N 0.95 0.73 -0.81 -2.39 3.38 -0.84 -1.68 115.31 114.64 2npq h LEU 232 Ca 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2npq h LEU 232 Cb 0.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2npq h LEU 232 CO -0.03 0.80 0.36 0.50 0.09 0.00 0.00 178.44 180.15 2npq h LYS 233 N 0.71 1.19 -0.50 1.13 3.64 -0.63 -0.88 116.57 121.24 2npq h LYS 233 Ca 0.14 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2npq h LYS 233 Cb 0.44 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2npq h LYS 233 CO 0.02 0.94 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.90 2npq h LEU 234 N 1.17 0.99 -0.21 5.20 3.38 -0.96 -2.21 115.31 122.68 2npq h LEU 234 Ca 0.28 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2npq h LEU 234 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2npq h LEU 234 CO -0.03 1.14 0.10 0.40 0.09 0.00 0.00 178.44 180.14 2npq h ILE 235 N 0.86 1.14 -0.15 1.22 2.04 -0.93 -2.95 117.51 118.73 2npq h ILE 235 Ca 0.12 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2npq h ILE 235 Cb 0.73 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2npq h ILE 235 CO 0.06 0.13 -0.15 -0.07 0.00 0.00 0.00 178.15 178.12 2npq h LEU 236 N 0.21 0.23 -1.08 1.44 3.38 -1.08 -1.41 115.31 117.00 2npq h LEU 236 Ca 0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2npq h LEU 236 Cb 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2npq h LEU 236 CO -0.01 0.40 0.09 -0.09 0.09 0.00 0.00 178.44 178.92 2npq h ARG 237 N 0.23 0.74 0.00 1.13 2.43 -1.24 0.61 114.38 118.29 2npq h ARG 237 Ca 0.05 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2npq h ARG 237 Cb 0.40 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2npq h ARG 237 CO 0.02 0.70 -0.00 1.25 -1.51 0.00 0.00 179.97 180.43 2npq h LEU 238 N 0.71 -0.00 0.00 3.80 5.85 -1.27 -3.39 115.31 121.02 2npq h LEU 238 Ca 0.16 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 58.02 2npq h LEU 238 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2npq h LEU 238 CO 0.00 0.86 -1.24 1.33 -0.34 0.00 0.00 178.44 179.05 2npq n VAL 239 N -4.68 0.15 0.00 1.05 0.24 -0.59 -1.40 118.33 113.10 2npq n VAL 239 Ca -0.10 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2npq n VAL 239 Cb 0.42 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2npq n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2npq n GLY 240 N 1.35 0.02 3.80 7.63 0.00 0.21 -4.08 105.19 114.12 2npq n GLY 240 Ca 0.01 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2npq n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2npq s THR 241 N -2.58 3.75 0.17 2.61 -4.23 -0.86 -4.70 115.64 109.80 2npq s THR 241 Ca 0.00 0.81 -0.33 0.00 -1.18 0.00 0.00 61.69 60.98 2npq s THR 241 Cb 0.00 -3.34 -0.14 0.00 1.34 0.00 0.00 72.50 70.35 2npq s THR 241 CO 0.00 -0.51 1.44 -2.65 -0.54 0.00 0.00 174.62 172.37 2npq n PRO 242 N -2.15 1.85 -2.13 3.99 -0.02 -1.26 -4.92 135.00 130.36 2npq n PRO 242 Ca 0.09 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 2npq n PRO 242 Cb 0.53 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2npq n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2npq s GLY 243 N 0.56 1.69 0.33 -1.23 0.00 -1.26 -4.87 107.32 102.54 2npq s GLY 243 Ca 0.76 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.51 2npq s GLY 243 CO 0.44 -0.49 1.98 0.00 0.00 0.00 0.00 173.10 175.03 2npq h ALA 244 N -0.85 1.53 -0.85 3.20 0.00 -1.99 -1.67 119.26 118.63 2npq h ALA 244 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2npq h ALA 244 Cb 1.30 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2npq h ALA 244 CO 0.56 0.40 0.53 1.49 0.00 0.00 0.00 179.25 182.24 2npq h GLU 245 N 0.94 1.14 -0.16 0.00 4.81 -2.01 -2.02 114.58 117.28 2npq h GLU 245 Ca 0.29 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.25 2npq h GLU 245 Cb -0.00 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 2npq h GLU 245 CO -0.08 0.78 -0.62 1.25 -0.73 0.00 0.00 179.01 179.62 2npq h LEU 246 N 1.16 0.64 -1.71 1.64 5.85 -1.82 -3.20 115.31 117.88 2npq h LEU 246 Ca 0.31 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2npq h LEU 246 Cb -0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2npq h LEU 246 CO -0.06 1.11 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.01 2npq h LEU 247 N 0.42 0.10 -2.51 2.25 -0.00 -0.63 -1.44 115.31 113.50 2npq h LEU 247 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2npq h LEU 247 Cb 1.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2npq h LEU 247 CO 0.12 0.18 -0.02 0.11 -0.00 0.00 0.00 178.44 178.83 2npq h LYS 248 N 0.10 0.00 -0.67 1.13 1.57 -1.41 -2.42 116.57 114.88 2npq h LYS 248 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2npq h LYS 248 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2npq h LYS 248 CO 0.01 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 2npq n LYS 249 N -3.61 2.71 -3.53 3.15 5.02 -0.54 -4.88 118.16 116.47 2npq n LYS 249 Ca -0.03 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 2npq n LYS 249 Cb 0.10 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 2npq n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2npq s ILE 250 N -1.06 4.99 -0.19 -0.18 1.01 -0.91 -4.94 121.20 119.92 2npq s ILE 250 Ca 0.46 -0.66 0.17 0.00 0.00 0.00 0.00 60.65 60.62 2npq s ILE 250 Cb 0.24 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 39.04 2npq s ILE 250 CO 0.32 -0.22 1.34 0.77 0.00 0.00 0.00 174.94 177.15 2npq h SER 251 N 8.53 0.00 -2.95 3.58 4.64 -1.90 -3.45 113.55 122.00 2npq h SER 251 Ca -0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.48 2npq h SER 251 Cb 1.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2npq h SER 251 CO 0.69 0.43 1.17 -0.55 -0.87 0.00 0.00 176.83 177.70 2npq s SER 252 N -6.27 6.10 0.21 4.97 0.15 -1.26 -4.87 113.70 112.73 2npq s SER 252 Ca 0.03 0.97 -0.11 0.00 0.70 0.00 0.00 55.95 57.54 2npq s SER 252 Cb 0.08 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 2npq s SER 252 CO 0.75 -1.60 1.87 -0.08 1.20 0.00 0.00 173.24 175.38 2npq h GLU 253 N 11.78 0.95 -0.68 5.44 4.81 -2.00 -0.55 114.58 134.33 2npq h GLU 253 Ca -0.30 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.80 2npq h GLU 253 Cb 1.13 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 2npq h GLU 253 CO 1.07 0.63 0.14 0.66 -0.73 0.00 0.00 179.01 180.78 2npq h SER 254 N 0.97 1.05 0.19 1.04 4.64 -2.00 -1.19 113.55 118.26 2npq h SER 254 Ca 0.27 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2npq h SER 254 Cb -0.10 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.71 2npq h SER 254 CO -0.06 1.02 -0.11 0.00 -0.87 0.00 0.00 176.83 176.81 2npq h ALA 255 N 1.10 -0.28 -0.79 5.18 0.00 -1.87 -2.14 119.26 120.45 2npq h ALA 255 Ca 0.21 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.19 2npq h ALA 255 Cb 0.40 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2npq h ALA 255 CO 0.01 -0.66 0.39 0.00 0.00 0.00 0.00 179.25 178.98 2npq h ARG 256 N -0.29 0.57 -0.33 0.00 3.08 -0.89 -1.45 114.38 115.06 2npq h ARG 256 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2npq h ARG 256 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2npq h ARG 256 CO 0.02 0.38 0.07 -0.91 -1.07 0.00 0.00 179.97 178.47 2npq h ASN 257 N 0.59 0.51 0.06 7.04 2.35 -1.05 -2.15 115.58 122.93 2npq h ASN 257 Ca 0.42 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2npq h ASN 257 Cb 0.55 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2npq h ASN 257 CO -0.34 0.62 -0.03 0.22 -1.65 0.00 0.00 177.43 176.25 2npq h TYR 258 N 0.38 -0.07 -0.99 1.19 3.20 -1.15 -2.98 116.97 116.55 2npq h TYR 258 Ca 0.10 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.10 2npq h TYR 258 Cb 0.31 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 2npq h TYR 258 CO 0.02 0.07 0.62 0.82 -1.64 0.00 0.00 178.16 178.05 2npq h ILE 259 N -0.21 0.91 0.00 1.81 2.04 -1.13 -1.50 117.51 119.43 2npq h ILE 259 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2npq h ILE 259 Cb 0.18 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2npq h ILE 259 CO 0.01 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.29 2npq n GLN 260 N -4.61 0.22 0.14 2.37 10.64 -0.82 -2.19 117.38 123.14 2npq n GLN 260 Ca 0.19 0.17 0.13 0.00 -1.83 0.00 0.00 57.00 55.66 2npq n GLN 260 Cb 0.37 -1.75 0.43 0.00 -0.86 0.00 0.00 30.24 28.43 2npq n GLN 260 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2npq h SER 261 N 0.00 0.00 -4.01 2.61 4.64 -1.12 -3.46 113.55 112.21 2npq h SER 261 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2npq h SER 261 Cb 0.70 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.83 2npq h SER 261 CO 0.00 0.00 0.44 -0.76 -0.87 0.00 0.00 176.83 175.64 2npq s LEU 262 N -4.88 4.01 0.22 5.97 1.43 -0.93 -4.97 118.68 119.52 2npq s LEU 262 Ca 0.07 2.13 -0.32 0.00 -1.03 0.00 0.00 54.13 54.98 2npq s LEU 262 Cb 0.10 -4.31 -0.12 0.00 0.03 0.00 0.00 46.19 41.89 2npq s LEU 262 CO 0.54 -0.76 1.65 0.41 0.23 0.00 0.00 176.35 178.42 2npq n THR 263 N -0.49 0.25 -1.83 5.49 -1.04 -1.26 -4.91 114.28 110.48 2npq n THR 263 Ca 0.07 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 2npq n THR 263 Cb 0.50 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 2npq n THR 263 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2npq s GLN 264 N 0.71 3.85 -0.09 -2.82 2.00 -1.26 -4.91 119.66 117.15 2npq s GLN 264 Ca 0.73 2.18 0.01 0.00 -2.00 0.00 0.00 55.36 56.27 2npq s GLN 264 Cb -0.55 -4.14 -0.03 0.00 0.80 0.00 0.00 33.01 29.09 2npq s GLN 264 CO 0.37 -1.26 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.17 2npq s MET 265 N 4.83 2.95 0.49 1.67 -1.94 -1.26 -5.01 119.30 121.03 2npq s MET 265 Ca 0.84 -0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 54.09 2npq s MET 265 Cb -0.34 -2.61 -0.07 0.00 2.01 0.00 0.00 34.83 33.82 2npq s MET 265 CO 0.35 0.52 0.90 -1.25 -0.01 0.00 0.00 175.02 175.53 2npq s PRO 266 N -0.43 3.83 0.00 2.03 0.04 -1.26 -2.03 135.00 137.19 2npq s PRO 266 Ca 0.06 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 2npq s PRO 266 Cb -0.12 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 2npq s PRO 266 CO 0.02 -0.22 1.71 0.21 0.04 0.00 0.00 177.00 178.77 2npq s LYS 267 N -4.14 4.18 0.64 4.56 2.20 -1.26 -4.08 119.74 121.83 2npq s LYS 267 Ca 0.55 2.32 -0.18 0.00 -0.36 0.00 0.00 55.97 58.30 2npq s LYS 267 Cb -0.10 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 2npq s LYS 267 CO 0.34 -0.83 1.12 -1.33 -0.36 0.00 0.00 175.35 174.29 2npq n MET 268 N 6.68 0.94 -2.79 4.03 2.81 -0.49 -4.94 117.12 123.35 2npq n MET 268 Ca 0.17 0.37 -0.42 0.00 -1.81 0.00 0.00 57.70 56.01 2npq n MET 268 Cb 0.42 -2.34 -0.03 0.00 -0.71 0.00 0.00 33.22 30.55 2npq n MET 268 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2npq s ASN 269 N -1.37 7.04 0.38 7.83 3.04 -1.26 -4.93 114.94 125.67 2npq s ASN 269 Ca 0.79 1.29 0.16 0.00 0.04 0.00 0.00 52.86 55.14 2npq s ASN 269 Cb -0.39 -2.49 0.75 0.00 -1.54 0.00 0.00 41.25 37.57 2npq s ASN 269 CO 0.44 -0.48 1.80 -0.26 -3.04 0.00 0.00 177.10 175.56 2npq h PHE 270 N 7.33 0.00 -0.07 0.43 -1.00 -1.94 -2.17 116.94 119.53 2npq h PHE 270 Ca -0.27 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.53 2npq h PHE 270 Cb 1.12 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.67 2npq h PHE 270 CO 0.73 0.38 0.07 0.00 -1.61 0.00 0.00 178.31 177.87 2npq h ALA 271 N 1.62 1.77 -0.14 2.45 0.00 -1.92 -0.17 119.26 122.88 2npq h ALA 271 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2npq h ALA 271 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2npq h ALA 271 CO 0.05 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.29 2npq n ASN 272 N -4.06 1.85 -0.06 0.00 5.03 -0.82 -3.91 115.26 113.30 2npq n ASN 272 Ca -0.01 -1.69 -0.07 0.00 0.87 0.00 0.00 54.58 53.68 2npq n ASN 272 Cb 0.17 -0.09 -0.07 0.00 -1.02 0.00 0.00 39.78 38.77 2npq n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2npq n VAL 273 N 0.44 0.71 -3.20 2.41 0.31 -0.27 -4.77 118.33 113.96 2npq n VAL 273 Ca 0.17 -0.37 -0.35 0.00 -0.01 0.00 0.00 64.34 63.78 2npq n VAL 273 Cb 0.38 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 2npq n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2npq n PHE 274 N -2.58 2.93 -2.13 3.52 3.72 -0.24 -5.06 117.46 117.62 2npq n PHE 274 Ca -0.19 -3.34 -0.42 0.00 -0.05 0.00 0.00 57.45 53.45 2npq n PHE 274 Cb 0.79 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 2npq n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2npq s ILE 275 N -2.68 3.29 0.00 4.37 -1.09 -1.26 -2.48 121.20 121.35 2npq s ILE 275 Ca 0.35 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2npq s ILE 275 Cb 0.10 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2npq s ILE 275 CO 0.05 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 2npq n GLY 276 N 3.60 1.31 3.77 6.18 0.00 -1.26 -5.02 105.19 113.77 2npq n GLY 276 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2npq n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npq s ALA 277 N -2.89 2.67 -0.31 4.61 0.00 -1.03 -4.92 121.76 119.89 2npq s ALA 277 Ca 0.00 0.84 -0.43 0.00 0.00 0.00 0.00 51.96 52.37 2npq s ALA 277 Cb 0.00 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 2npq s ALA 277 CO 0.00 -0.83 1.54 -1.71 0.00 0.00 0.00 175.76 174.76 2npq n ASN 278 N -1.36 1.41 -0.12 0.00 2.85 -1.26 -4.83 115.26 111.95 2npq n ASN 278 Ca 0.12 1.14 0.23 0.00 -0.11 0.00 0.00 54.58 55.96 2npq n ASN 278 Cb 0.51 -0.99 0.66 0.00 1.24 0.00 0.00 39.78 41.20 2npq n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2npq h PRO 279 N 5.32 0.09 -0.29 1.20 0.11 -1.97 0.91 132.00 137.36 2npq h PRO 279 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 2npq h PRO 279 Cb 1.36 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2npq h PRO 279 CO 0.91 0.06 -0.36 -0.07 -0.21 0.00 0.00 178.00 178.33 2npq h LEU 280 N 0.09 0.68 -0.26 2.35 3.38 -1.99 -1.33 115.31 118.23 2npq h LEU 280 Ca 0.36 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2npq h LEU 280 Cb 1.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2npq h LEU 280 CO -0.04 0.98 0.12 0.00 0.09 0.00 0.00 178.44 179.59 2npq h ALA 281 N 1.06 0.34 -0.60 1.53 0.00 -1.20 -1.24 119.26 119.15 2npq h ALA 281 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2npq h ALA 281 Cb 0.87 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2npq h ALA 281 CO 0.08 -0.08 0.36 0.28 0.00 0.00 0.00 179.25 179.88 2npq h VAL 282 N 0.28 1.18 -0.54 0.00 2.07 -1.27 -0.28 116.25 117.68 2npq h VAL 282 Ca 0.09 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2npq h VAL 282 Cb 0.15 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2npq h VAL 282 CO -0.01 0.18 0.30 -0.78 0.02 0.00 0.00 177.57 177.28 2npq h ASP 283 N 0.81 0.45 -0.60 0.57 3.58 -1.02 -1.35 116.42 118.86 2npq h ASP 283 Ca 0.21 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 2npq h ASP 283 Cb -0.02 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2npq h ASP 283 CO -0.04 0.31 0.16 0.25 -2.88 0.00 0.00 179.24 177.04 2npq h LEU 284 N 0.58 0.90 -0.99 2.28 5.85 -0.69 -2.54 115.31 120.71 2npq h LEU 284 Ca 0.23 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2npq h LEU 284 Cb 0.10 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2npq h LEU 284 CO -0.14 0.89 0.58 -0.07 -0.34 0.00 0.00 178.44 179.36 2npq h LEU 285 N 0.87 1.12 -1.78 2.25 3.38 -0.74 -1.43 115.31 118.99 2npq h LEU 285 Ca 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2npq h LEU 285 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2npq h LEU 285 CO 0.00 0.85 0.02 -0.33 0.09 0.00 0.00 178.44 179.07 2npq h GLU 286 N 1.29 0.16 0.00 1.13 4.39 -0.85 -0.77 114.58 119.92 2npq h GLU 286 Ca 0.34 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 2npq h GLU 286 Cb -0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2npq h GLU 286 CO -0.07 0.16 -0.47 0.87 -1.16 0.00 0.00 179.01 178.34 2npq h LYS 287 N 0.16 0.00 0.10 2.33 1.57 -0.93 -3.37 116.57 116.43 2npq h LYS 287 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.47 2npq h LYS 287 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2npq h LYS 287 CO -0.00 0.16 -1.91 -1.33 -0.57 0.00 0.00 179.45 175.80 2npq n MET 288 N -3.03 0.72 -2.37 3.15 2.81 -0.81 -1.54 117.12 116.05 2npq n MET 288 Ca 0.01 0.31 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 2npq n MET 288 Cb 0.62 -1.70 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 2npq n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2npq n LEU 289 N -3.63 7.35 -4.51 4.03 4.77 -0.34 -4.36 117.00 120.30 2npq n LEU 289 Ca -0.33 -5.00 -0.33 0.00 -0.03 0.00 0.00 56.01 50.31 2npq n LEU 289 Cb 0.99 -1.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 2npq n LEU 289 CO 0.38 1.86 -0.40 -0.69 -1.33 0.00 0.00 177.39 177.21 2npq s VAL 290 N -1.81 3.53 0.15 4.08 1.01 -1.26 -4.89 120.40 121.20 2npq s VAL 290 Ca 0.44 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 2npq s VAL 290 Cb 0.15 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2npq s VAL 290 CO -0.05 0.56 1.74 0.25 0.00 0.00 0.00 175.10 177.60 2npq h LEU 291 N 5.84 0.60 -8.79 3.92 5.85 -1.92 -3.40 115.31 117.41 2npq h LEU 291 Ca -0.40 -0.11 -0.57 0.00 0.84 0.00 0.00 57.88 57.64 2npq h LEU 291 Cb 1.18 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2npq h LEU 291 CO 0.55 0.54 1.18 -0.62 -0.34 0.00 0.00 178.44 179.75 2npq s ASP 292 N -5.81 6.07 0.52 1.25 -1.08 -1.26 -4.88 116.67 111.48 2npq s ASP 292 Ca -0.13 0.95 0.21 0.00 -0.52 0.00 0.00 52.55 53.06 2npq s ASP 292 Cb 0.11 -2.53 1.39 0.00 -1.46 0.00 0.00 42.92 40.42 2npq s ASP 292 CO 0.75 -1.63 2.13 0.77 0.52 0.00 0.00 175.17 177.71 2npq h SER 293 N 11.91 0.00 0.39 -0.34 4.64 -1.97 -1.00 113.55 127.17 2npq h SER 293 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2npq h SER 293 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2npq h SER 293 CO 1.08 0.07 -0.08 0.44 -0.87 0.00 0.00 176.83 177.46 2npq h ASP 294 N 0.00 0.00 -0.02 4.97 3.32 -1.95 -3.02 116.42 119.73 2npq h ASP 294 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2npq h ASP 294 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2npq h ASP 294 CO 0.01 0.08 -0.49 0.29 -1.72 0.00 0.00 179.24 177.41 2npq n LYS 295 N -3.49 1.19 -2.18 3.56 5.02 -0.39 -4.94 118.16 116.94 2npq n LYS 295 Ca -0.02 -0.98 -0.40 0.00 -2.02 0.00 0.00 58.31 54.89 2npq n LYS 295 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 2npq n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2npq s ARG 296 N -2.48 4.35 0.47 1.97 0.52 -1.14 -4.96 118.95 117.67 2npq s ARG 296 Ca 0.18 2.11 -0.24 0.00 -0.52 0.00 0.00 55.73 57.27 2npq s ARG 296 Cb 0.18 -3.04 -0.08 0.00 0.52 0.00 0.00 34.95 32.53 2npq s ARG 296 CO 0.58 -0.15 1.27 1.51 0.02 0.00 0.00 175.30 178.52 2npq n ILE 297 N 0.75 2.95 -2.40 1.52 3.06 -0.59 -5.02 119.36 119.64 2npq n ILE 297 Ca 0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.50 2npq n ILE 297 Cb 0.43 -1.56 0.04 0.00 0.54 0.00 0.00 39.64 39.09 2npq n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2npq s THR 298 N -1.25 3.09 0.19 9.51 -4.23 -1.26 -4.89 115.64 116.80 2npq s THR 298 Ca 0.65 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 2npq s THR 298 Cb -0.48 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.22 2npq s THR 298 CO 0.55 -0.24 1.85 0.00 -0.54 0.00 0.00 174.62 176.24 2npq h ALA 299 N -0.25 0.80 -0.53 3.99 0.00 -1.93 0.32 119.26 121.66 2npq h ALA 299 Ca -0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2npq h ALA 299 Cb 1.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2npq h ALA 299 CO 0.59 0.20 0.09 0.00 0.00 0.00 0.00 179.25 180.13 2npq h ALA 300 N 1.24 0.70 -0.65 0.00 0.00 -1.94 -1.43 119.26 117.17 2npq h ALA 300 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2npq h ALA 300 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2npq h ALA 300 CO -0.06 0.43 0.24 1.96 0.00 0.00 0.00 179.25 181.82 2npq h GLN 301 N 0.75 0.99 -0.32 0.00 4.20 -1.91 -3.05 115.11 115.77 2npq h GLN 301 Ca 0.16 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2npq h GLN 301 Cb 0.40 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2npq h GLN 301 CO 0.01 0.85 -0.02 0.00 -0.67 0.00 0.00 178.83 179.00 2npq h ALA 302 N 1.10 1.37 0.00 3.87 0.00 -0.50 -2.19 119.26 122.91 2npq h ALA 302 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2npq h ALA 302 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2npq h ALA 302 CO -0.01 0.44 -0.11 -0.07 0.00 0.00 0.00 179.25 179.49 2npq h LEU 303 N 0.48 0.00 -0.71 0.00 3.38 -1.16 -1.61 115.31 115.69 2npq h LEU 303 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2npq h LEU 303 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2npq h LEU 303 CO 0.01 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.65 2npq n ALA 304 N -2.38 2.60 -1.78 1.53 0.00 -0.83 -4.73 120.51 114.90 2npq n ALA 304 Ca -0.02 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2npq n ALA 304 Cb 0.20 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 2npq n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2npq s HIS 305 N -1.97 3.27 0.55 0.00 5.04 -0.61 -4.91 115.29 116.66 2npq s HIS 305 Ca 0.39 1.64 0.42 0.00 -1.54 0.00 0.00 55.06 55.98 2npq s HIS 305 Cb 0.20 -3.10 2.22 0.00 0.04 0.00 0.00 32.58 31.95 2npq s HIS 305 CO 0.33 -0.58 2.29 0.00 -2.34 0.00 0.00 174.74 174.44 2npq h ALA 306 N 2.43 1.00 -0.58 1.58 0.00 -1.91 -1.43 119.26 120.36 2npq h ALA 306 Ca -0.48 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.55 2npq h ALA 306 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2npq h ALA 306 CO 0.62 0.00 0.40 -0.92 0.00 0.00 0.00 179.25 179.35 2npq h TYR 307 N 0.00 0.27 -0.52 0.00 3.20 -1.91 -2.06 116.97 115.95 2npq h TYR 307 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2npq h TYR 307 Cb 0.10 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2npq h TYR 307 CO 0.00 0.12 0.00 1.19 -1.64 0.00 0.00 178.16 177.83 2npq n PHE 308 N -4.44 1.33 -0.21 -3.82 3.72 -0.54 -4.69 117.46 108.81 2npq n PHE 308 Ca 0.10 -0.51 0.17 0.00 -0.05 0.00 0.00 57.45 57.16 2npq n PHE 308 Cb 0.47 -0.26 0.50 0.00 -0.94 0.00 0.00 39.48 39.26 2npq n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2npq h ALA 309 N 3.83 2.15 0.00 4.37 0.00 -1.50 0.45 119.26 128.56 2npq h ALA 309 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2npq h ALA 309 Cb 1.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2npq h ALA 309 CO 0.24 -0.39 -0.12 -0.56 0.00 0.00 0.00 179.25 178.41 2npq h GLN 310 N 0.42 0.00 0.00 0.00 3.07 -1.86 -3.33 115.11 113.42 2npq h GLN 310 Ca 0.42 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 59.00 2npq h GLN 310 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.53 2npq h GLN 310 CO -0.15 0.12 -1.83 0.66 0.09 0.00 0.00 178.83 177.72 2npq n TYR 311 N -3.19 0.00 -1.85 0.06 4.01 -0.00 -5.03 117.16 111.16 2npq n TYR 311 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2npq n TYR 311 Cb 0.46 -0.55 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 2npq n TYR 311 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2npq s HIS 312 N -2.57 2.49 -0.24 -0.72 2.46 -0.30 -4.99 115.29 111.41 2npq s HIS 312 Ca -0.06 0.27 -0.04 0.00 0.47 0.00 0.00 55.06 55.70 2npq s HIS 312 Cb 0.06 -4.04 0.09 0.00 -0.13 0.00 0.00 32.58 28.56 2npq s HIS 312 CO 0.57 -4.12 0.13 0.34 -2.47 0.00 0.00 174.74 169.19 2npq s ASP 313 N 2.18 2.92 0.44 9.88 -1.08 -1.26 -5.00 116.67 124.75 2npq s ASP 313 Ca 0.75 -0.97 0.30 0.00 -0.52 0.00 0.00 52.55 52.12 2npq s ASP 313 Cb -0.43 -0.24 1.57 0.00 -1.46 0.00 0.00 42.92 42.36 2npq s ASP 313 CO 0.33 -0.40 1.92 1.55 0.52 0.00 0.00 175.17 179.10 2npq h PRO 314 N 8.40 0.00 -0.46 4.34 0.13 -1.97 -0.46 132.00 141.98 2npq h PRO 314 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2npq h PRO 314 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2npq h PRO 314 CO 0.37 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.89 2npq n ASP 315 N -2.59 3.04 -2.67 1.44 8.00 -1.26 -4.24 116.55 118.27 2npq n ASP 315 Ca -0.01 -1.95 -0.06 0.00 0.71 0.00 0.00 54.79 53.48 2npq n ASP 315 Cb 0.10 -0.30 0.04 0.00 -0.02 0.00 0.00 41.12 40.94 2npq n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2npq n ASP 316 N 1.19 2.26 -3.28 -2.24 2.03 -0.18 -4.89 116.55 111.43 2npq n ASP 316 Ca 0.19 -2.42 -0.25 0.00 0.52 0.00 0.00 54.79 52.83 2npq n ASP 316 Cb 0.51 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.38 2npq n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2npq n GLU 317 N -0.59 1.59 -1.10 -0.67 1.02 -1.22 -4.87 120.64 114.80 2npq n GLU 317 Ca 0.15 -3.91 -0.31 0.00 -0.02 0.00 0.00 57.16 53.08 2npq n GLU 317 Cb 0.83 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 30.66 2npq n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2npq s PRO 318 N -1.87 1.63 0.40 3.49 0.04 -1.26 -4.96 135.00 132.47 2npq s PRO 318 Ca 0.38 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2npq s PRO 318 Cb 0.17 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 2npq s PRO 318 CO -0.07 -2.08 0.02 0.14 0.04 0.00 0.00 177.00 175.05 2npq s VAL 319 N -2.84 2.10 0.02 -0.36 -7.23 -1.26 -4.20 120.40 106.63 2npq s VAL 319 Ca 0.63 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 2npq s VAL 319 Cb -0.19 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2npq s VAL 319 CO 0.57 -0.03 0.18 0.00 -0.31 0.00 0.00 175.10 175.51 2npq s ALA 320 N -2.67 3.94 0.77 1.32 0.00 -1.26 -5.03 121.76 118.82 2npq s ALA 320 Ca 0.36 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 2npq s ALA 320 Cb 0.08 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.40 2npq s ALA 320 CO 0.19 0.77 1.04 -0.25 0.00 0.00 0.00 175.76 177.51 2npq n ASP 321 N 0.73 0.61 -4.77 0.00 8.00 -1.26 -4.63 116.55 115.24 2npq n ASP 321 Ca -0.09 0.62 -0.40 0.00 0.71 0.00 0.00 54.79 55.64 2npq n ASP 321 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2npq n ASP 321 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2npq s PRO 322 N -3.65 3.90 -0.23 -0.24 0.04 -1.26 -4.65 135.00 128.90 2npq s PRO 322 Ca 0.73 2.26 -0.04 0.00 0.04 0.00 0.00 61.00 63.99 2npq s PRO 322 Cb -0.32 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 2npq s PRO 322 CO 0.51 -0.59 -0.02 -0.47 0.04 0.00 0.00 177.00 176.47 2npq s TYR 323 N -1.23 3.00 -0.83 0.56 5.04 -1.26 -5.06 117.35 117.58 2npq s TYR 323 Ca 0.58 -0.94 -0.25 0.00 -2.44 0.00 0.00 57.07 54.02 2npq s TYR 323 Cb -0.40 -2.13 0.05 0.00 0.35 0.00 0.00 41.96 39.83 2npq s TYR 323 CO 0.52 -0.55 1.28 0.34 -1.34 0.00 0.00 175.55 175.81 2npq s ASP 324 N 1.48 6.30 -0.23 4.32 -1.08 -1.26 -4.83 116.67 121.37 2npq s ASP 324 Ca 0.05 -0.93 0.09 0.00 -0.52 0.00 0.00 52.55 51.24 2npq s ASP 324 Cb -0.15 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.40 2npq s ASP 324 CO -0.02 -1.64 1.54 0.00 0.52 0.00 0.00 175.17 175.57 2npq n GLN 325 N 8.84 3.58 0.28 4.34 6.02 -1.26 -4.53 117.38 134.66 2npq n GLN 325 Ca 0.13 -2.46 0.13 0.00 -0.01 0.00 0.00 57.00 54.79 2npq n GLN 325 Cb 0.49 -2.07 0.83 0.00 1.02 0.00 0.00 30.24 30.52 2npq n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2npq h SER 326 N 2.58 0.00 0.09 1.08 4.64 -2.03 -1.43 113.55 118.48 2npq h SER 326 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2npq h SER 326 Cb 1.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2npq h SER 326 CO 0.51 0.04 -0.05 2.19 -0.87 0.00 0.00 176.83 178.65 2npq h PHE 327 N 0.00 0.00 -0.01 4.77 -0.00 -1.97 -2.24 116.94 117.49 2npq h PHE 327 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2npq h PHE 327 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.05 2npq h PHE 327 CO 0.00 0.05 0.00 0.93 -0.00 0.00 0.00 178.31 179.29 2npq h GLU 328 N 0.00 0.00 -0.00 6.09 4.39 -1.63 -0.99 114.58 122.44 2npq h GLU 328 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2npq h GLU 328 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2npq h GLU 328 CO 0.01 0.00 -0.07 -1.13 -1.16 0.00 0.00 179.01 176.66 2npq n SER 329 N -4.22 0.49 -4.87 1.42 3.41 -0.84 -4.91 113.62 104.09 2npq n SER 329 Ca -0.03 -0.76 -0.35 0.00 -0.26 0.00 0.00 58.87 57.47 2npq n SER 329 Cb 0.09 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 2npq n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2npq s ARG 330 N -2.32 3.67 -0.32 4.33 0.52 -0.38 -5.07 118.95 119.38 2npq s ARG 330 Ca 0.34 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.62 2npq s ARG 330 Cb 0.21 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.70 2npq s ARG 330 CO 0.43 0.62 0.02 -0.51 0.02 0.00 0.00 175.30 175.89 2npq s ASP 331 N -1.67 4.77 0.40 0.23 1.01 -1.26 -5.05 116.67 115.10 2npq s ASP 331 Ca 0.29 -1.82 0.07 0.00 0.71 0.00 0.00 52.55 51.81 2npq s ASP 331 Cb -0.14 -1.65 -0.08 0.00 1.01 0.00 0.00 42.92 42.07 2npq s ASP 331 CO 0.16 -0.34 0.01 -0.76 0.21 0.00 0.00 175.17 174.45 2npq s LEU 332 N 1.04 2.85 0.55 1.23 1.43 -1.26 -5.14 118.68 119.37 2npq s LEU 332 Ca 0.03 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 2npq s LEU 332 Cb -0.20 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 2npq s LEU 332 CO -0.06 -0.44 1.00 -0.76 0.23 0.00 0.00 176.35 176.32 2npq s LEU 333 N -3.70 3.52 0.23 1.79 1.43 -1.26 -4.89 118.68 115.80 2npq s LEU 333 Ca 0.35 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 54.92 2npq s LEU 333 Cb 0.10 -4.50 0.37 0.00 0.03 0.00 0.00 46.19 42.18 2npq s LEU 333 CO 0.18 -0.70 1.66 0.40 0.23 0.00 0.00 176.35 178.12 2npq h ILE 334 N 0.59 0.47 -0.08 -0.59 2.04 -1.91 -0.27 117.51 117.76 2npq h ILE 334 Ca -0.46 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2npq h ILE 334 Cb 1.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2npq h ILE 334 CO 0.61 0.03 -0.30 0.44 0.00 0.00 0.00 178.15 178.93 2npq h ASP 335 N 0.15 0.14 -0.09 1.72 5.19 -1.96 0.74 116.42 122.31 2npq h ASP 335 Ca 0.36 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 2npq h ASP 335 Cb 0.61 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.08 2npq h ASP 335 CO -0.55 0.44 -0.05 -0.33 -3.12 0.00 0.00 179.24 175.63 2npq h GLU 336 N 0.13 0.18 -0.97 3.56 5.08 -1.47 -1.26 114.58 119.83 2npq h GLU 336 Ca 0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2npq h GLU 336 Cb 0.59 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2npq h GLU 336 CO 0.04 0.56 0.63 -1.49 -1.00 0.00 0.00 179.01 177.75 2npq h TRP 337 N -0.20 1.23 -0.76 4.33 -0.00 -0.93 -1.63 115.95 118.01 2npq h TRP 337 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.91 2npq h TRP 337 Cb 0.51 -0.41 -0.04 0.00 -0.00 0.00 0.00 29.16 29.22 2npq h TRP 337 CO 0.07 0.79 0.40 -0.22 -0.00 0.00 0.00 178.44 179.48 2npq h LYS 338 N 1.32 1.06 -0.39 0.49 3.64 -0.82 -1.51 116.57 120.35 2npq h LYS 338 Ca 0.35 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2npq h LYS 338 Cb -0.13 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 2npq h LYS 338 CO -0.07 0.80 -0.17 1.03 -2.27 0.00 0.00 179.45 178.76 2npq h SER 339 N 1.05 0.83 -0.92 4.20 0.87 -0.86 -0.27 113.55 118.45 2npq h SER 339 Ca 0.26 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2npq h SER 339 Cb 0.06 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.72 2npq h SER 339 CO -0.04 1.05 0.57 -0.07 -0.53 0.00 0.00 176.83 177.81 2npq h LEU 340 N 0.62 0.89 -0.19 2.23 3.38 -1.19 -0.55 115.31 120.51 2npq h LEU 340 Ca 0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2npq h LEU 340 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2npq h LEU 340 CO 0.05 0.55 -0.05 0.74 0.09 0.00 0.00 178.44 179.82 2npq h THR 341 N 1.01 1.29 -0.57 0.22 2.02 -0.99 -2.16 112.91 113.73 2npq h THR 341 Ca 0.41 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.62 2npq h THR 341 Cb 0.24 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2npq h THR 341 CO -0.20 0.31 0.29 0.22 0.37 0.00 0.00 175.52 176.51 2npq h TYR 342 N 0.07 0.53 -0.57 3.16 3.20 -0.59 -0.63 116.97 122.14 2npq h TYR 342 Ca 0.05 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.03 2npq h TYR 342 Cb 0.49 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 2npq h TYR 342 CO 0.05 0.24 0.17 -0.44 -1.64 0.00 0.00 178.16 176.54 2npq h ASP 343 N 0.55 0.11 -0.35 -2.11 3.32 -0.92 -1.02 116.42 115.99 2npq h ASP 343 Ca 0.26 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 2npq h ASP 343 Cb 0.19 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2npq h ASP 343 CO -0.19 0.08 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.06 2npq h GLU 344 N 0.32 0.73 -0.06 3.56 4.39 -0.61 -1.83 114.58 121.09 2npq h GLU 344 Ca 0.29 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2npq h GLU 344 Cb 0.38 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2npq h GLU 344 CO -0.33 0.76 0.04 0.28 -1.16 0.00 0.00 179.01 178.59 2npq h VAL 345 N 0.69 1.06 -0.55 3.13 2.07 -0.24 -2.93 116.25 119.48 2npq h VAL 345 Ca 0.13 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2npq h VAL 345 Cb 0.44 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2npq h VAL 345 CO 0.02 0.05 0.25 0.40 0.02 0.00 0.00 177.57 178.32 2npq h ILE 346 N 0.03 1.19 -0.01 4.57 1.08 -1.02 -2.89 117.51 120.45 2npq h ILE 346 Ca 0.02 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2npq h ILE 346 Cb 0.06 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2npq h ILE 346 CO -0.00 0.22 -0.26 -1.54 -0.69 0.00 0.00 178.15 175.88 2npq n SER 347 N -4.36 0.90 -4.72 1.72 3.41 -0.70 -4.91 113.62 104.94 2npq n SER 347 Ca 0.05 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 2npq n SER 347 Cb 0.13 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2npq n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2npq n PHE 348 N -0.77 2.67 -4.28 7.33 7.35 -1.09 -5.00 117.46 123.66 2npq n PHE 348 Ca 0.12 0.30 -0.31 0.00 -0.76 0.00 0.00 57.45 56.80 2npq n PHE 348 Cb 0.34 -2.56 -0.16 0.00 0.35 0.00 0.00 39.48 37.44 2npq n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2npq s VAL 349 N -0.01 1.76 0.72 -2.13 1.01 -1.26 -5.08 120.40 115.41 2npq s VAL 349 Ca 0.65 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 2npq s VAL 349 Cb -0.54 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.27 2npq s VAL 349 CO 0.49 0.49 1.12 -2.16 0.00 0.00 0.00 175.10 175.04 2npq s PRO 350 N 1.19 2.44 0.00 2.72 0.04 -1.26 -5.07 135.00 135.06 2npq s PRO 350 Ca -0.00 1.38 0.28 0.00 0.04 0.00 0.00 61.00 62.70 2npq s PRO 350 Cb -0.14 -1.91 1.66 0.00 0.04 0.00 0.00 34.50 34.15 2npq s PRO 350 CO -0.07 -1.53 2.00 -0.35 0.04 0.00 0.00 177.00 177.09