#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnn s ILE 3 N 0.00 4.57 0.21 1.09 -1.09 -1.26 -4.99 121.20 119.73 3gnn s ILE 3 Ca 0.00 1.38 -0.32 0.00 -2.23 0.00 0.00 60.65 59.48 3gnn s ILE 3 Cb 0.00 -3.96 -0.13 0.00 -1.58 0.00 0.00 42.46 36.79 3gnn s ILE 3 CO 0.00 0.43 1.62 -0.67 -1.23 0.00 0.00 174.94 175.09 3gnn n ASP 4 N 1.33 3.57 0.00 3.58 2.03 -1.26 -2.63 116.55 123.17 3gnn n ASP 4 Ca -0.06 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.34 3gnn n ASP 4 Cb 0.50 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 3gnn n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gnn n ALA 5 N 3.23 0.00 -1.91 -1.67 0.00 -1.26 -4.98 120.51 113.91 3gnn n ALA 5 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 3gnn n ALA 5 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 3gnn n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gnn s VAL 6 N -2.90 3.89 0.44 0.00 1.01 -1.08 -0.68 120.40 121.08 3gnn s VAL 6 Ca 0.00 1.77 -0.25 0.00 0.00 0.00 0.00 61.98 63.50 3gnn s VAL 6 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3gnn s VAL 6 CO 0.00 0.37 1.29 -0.24 0.00 0.00 0.00 175.10 176.52 3gnn n SER 7 N 1.82 2.59 0.31 3.32 2.88 -1.26 -4.85 113.62 118.42 3gnn n SER 7 Ca 0.00 1.09 0.18 0.00 -1.33 0.00 0.00 58.87 58.81 3gnn n SER 7 Cb 0.46 -1.51 1.00 0.00 -0.75 0.00 0.00 64.21 63.41 3gnn n SER 7 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3gnn h PRO 8 N 1.99 0.00 0.00 -1.46 0.13 -1.95 0.68 132.00 131.39 3gnn h PRO 8 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gnn h PRO 8 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gnn h PRO 8 CO 0.59 0.02 0.00 -0.07 -0.23 0.00 0.00 178.00 178.31 3gnn h LEU 9 N 0.00 0.00 -0.83 1.56 3.38 -2.00 -2.66 115.31 114.77 3gnn h LEU 9 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3gnn h LEU 9 Cb 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 3gnn h LEU 9 CO 0.00 0.00 0.37 0.15 0.09 0.00 0.00 178.44 179.06 3gnn h PHE 10 N 0.00 0.64 -0.46 1.13 3.57 -1.21 -2.09 116.94 118.51 3gnn h PHE 10 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3gnn h PHE 10 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3gnn h PHE 10 CO 0.00 0.08 0.26 0.00 -2.23 0.00 0.00 178.31 176.42 3gnn h ALA 11 N 1.59 0.59 0.39 2.41 0.00 -1.70 0.73 119.26 123.27 3gnn h ALA 11 Ca 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3gnn h ALA 11 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3gnn h ALA 11 CO -0.42 -0.06 -0.42 -0.44 0.00 0.00 0.00 179.25 177.91 3gnn h ASP 12 N 0.52 -1.14 -0.76 0.00 3.45 -1.60 -1.88 116.42 115.02 3gnn h ASP 12 Ca 0.19 0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.74 3gnn h ASP 12 Cb 0.04 0.39 -0.04 0.00 -0.56 0.00 0.00 39.33 39.16 3gnn h ASP 12 CO -0.10 -0.56 0.46 0.40 -1.57 0.00 0.00 179.24 177.87 3gnn h ILE 13 N -0.83 1.22 -0.31 0.35 1.08 -1.13 -1.27 117.51 116.62 3gnn h ILE 13 Ca -0.03 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3gnn h ILE 13 Cb 0.74 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3gnn h ILE 13 CO -0.08 0.23 0.18 -1.28 -0.69 0.00 0.00 178.15 176.50 3gnn h SER 14 N 1.04 0.36 0.16 1.72 0.87 -0.82 -1.95 113.55 114.94 3gnn h SER 14 Ca 0.27 -0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.57 3gnn h SER 14 Cb -0.03 -0.09 0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3gnn h SER 14 CO -0.05 0.28 -1.07 0.03 -0.53 0.00 0.00 176.83 175.50 3gnn h ARG 15 N 0.42 0.44 -0.90 2.24 -0.00 -0.71 -0.85 114.38 115.01 3gnn h ARG 15 Ca 0.11 -0.69 0.06 0.00 -0.50 0.00 0.00 59.98 58.97 3gnn h ARG 15 Cb -0.00 0.25 -0.06 0.00 0.00 0.00 0.00 29.97 30.15 3gnn h ARG 15 CO -0.02 1.32 0.56 1.49 0.00 0.00 0.00 179.97 183.32 3gnn h GLU 16 N -0.09 0.99 0.00 0.04 4.81 -1.04 -3.32 114.58 115.97 3gnn h GLU 16 Ca -0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3gnn h GLU 16 Cb 1.82 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3gnn h GLU 16 CO 0.20 0.66 -0.74 0.66 -0.73 0.00 0.00 179.01 179.05 3gnn n TYR 17 N -4.59 0.00 -4.61 0.92 4.01 -0.75 -5.08 117.16 107.06 3gnn n TYR 17 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3gnn n TYR 17 Cb 0.18 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3gnn n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gnn n GLY 18 N 1.37 2.73 0.11 2.72 0.00 -0.33 -2.48 105.19 109.32 3gnn n GLY 18 Ca 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3gnn n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnn n ALA 19 N 9.04 1.29 0.05 4.61 0.00 -1.26 -2.54 120.51 131.70 3gnn n ALA 19 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 3gnn n ALA 19 Cb 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 19.45 18.35 3gnn n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gnn h ALA 20 N 2.13 1.03 0.74 0.00 0.00 -1.87 -2.20 119.26 119.09 3gnn h ALA 20 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3gnn h ALA 20 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gnn h ALA 20 CO 0.00 0.60 -0.36 0.35 0.00 0.00 0.00 179.25 179.84 3gnn h PHE 21 N 0.33 -0.93 -0.87 0.00 3.57 -1.66 0.45 116.94 117.82 3gnn h PHE 21 Ca 0.03 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.68 3gnn h PHE 21 Cb 0.81 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 3gnn h PHE 21 CO 0.02 -0.58 0.57 -0.44 -2.23 0.00 0.00 178.31 175.66 3gnn h ASP 22 N -1.01 0.52 -0.30 0.41 5.19 -1.74 -0.39 116.42 119.10 3gnn h ASP 22 Ca -0.10 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.22 3gnn h ASP 22 Cb 0.77 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 3gnn h ASP 22 CO 0.17 0.24 -0.32 0.00 -3.12 0.00 0.00 179.24 176.21 3gnn h ALA 23 N 1.61 0.44 0.02 3.45 0.00 -0.88 -1.95 119.26 121.96 3gnn h ALA 23 Ca 0.45 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gnn h ALA 23 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gnn h ALA 23 CO -0.19 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 3gnn h ALA 24 N 0.71 -0.03 -0.38 0.00 0.00 0.84 -1.47 119.26 118.93 3gnn h ALA 24 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gnn h ALA 24 Cb 0.90 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3gnn h ALA 24 CO 0.08 -0.42 0.18 0.82 0.00 0.00 0.00 179.25 179.91 3gnn h ILE 25 N -0.23 0.96 -0.20 0.00 2.04 -1.10 0.03 117.51 119.02 3gnn h ILE 25 Ca -0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.77 3gnn h ILE 25 Cb 0.21 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3gnn h ILE 25 CO 0.00 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.36 3gnn h ALA 26 N 1.21 2.10 0.20 1.87 0.00 -1.22 -0.91 119.26 122.51 3gnn h ALA 26 Ca 0.16 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3gnn h ALA 26 Cb 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.90 3gnn h ALA 26 CO -0.12 -0.15 -1.37 -0.09 0.00 0.00 0.00 179.25 177.51 3gnn h ARG 27 N 0.07 0.55 -0.82 0.00 2.43 0.01 -1.69 114.38 114.93 3gnn h ARG 27 Ca 0.09 -0.85 -0.00 0.00 -0.81 0.00 0.00 59.98 58.40 3gnn h ARG 27 Cb 0.28 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 3gnn h ARG 27 CO -0.01 1.40 0.50 -0.91 -1.51 0.00 0.00 179.97 179.44 3gnn h ASN 28 N 0.19 0.99 0.34 -3.80 -0.26 -0.81 0.75 115.58 112.98 3gnn h ASN 28 Ca -0.22 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 3gnn h ASN 28 Cb 2.06 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 39.07 3gnn h ASN 28 CO 0.26 0.76 -0.22 0.58 -1.06 0.00 0.00 177.43 177.75 3gnn h VAL 29 N 1.13 0.54 -0.90 2.81 2.07 -1.14 -1.33 116.25 119.43 3gnn h VAL 29 Ca 0.30 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 3gnn h VAL 29 Cb -0.05 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 3gnn h VAL 29 CO -0.06 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.12 3gnn h ALA 30 N 0.09 1.50 -0.12 1.67 0.00 -1.02 -1.80 119.26 119.58 3gnn h ALA 30 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gnn h ALA 30 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gnn h ALA 30 CO 0.03 0.37 0.06 -0.44 0.00 0.00 0.00 179.25 179.27 3gnn h ASP 31 N 1.04 0.16 -0.62 0.00 3.32 -0.74 -0.06 116.42 119.52 3gnn h ASP 31 Ca 0.38 -0.11 0.11 0.00 0.02 0.00 0.00 57.03 57.43 3gnn h ASP 31 Cb 0.16 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 3gnn h ASP 31 CO -0.14 0.23 0.17 0.00 -1.72 0.00 0.00 179.24 177.78 3gnn h ALA 32 N 0.94 0.77 -0.27 3.45 0.00 -0.66 -2.32 119.26 121.17 3gnn h ALA 32 Ca 0.04 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3gnn h ALA 32 Cb 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gnn h ALA 32 CO -0.01 -0.28 -0.45 -0.07 0.00 0.00 0.00 179.25 178.45 3gnn h LEU 33 N 0.31 0.75 -1.12 0.00 4.07 -1.11 -2.73 115.31 115.47 3gnn h LEU 33 Ca 0.33 -0.36 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 3gnn h LEU 33 Cb 0.47 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 3gnn h LEU 33 CO -0.39 1.09 0.50 0.00 -1.08 0.00 0.00 178.44 178.56 3gnn h ALA 34 N 0.94 1.35 0.00 1.53 0.00 -0.62 -1.80 119.26 120.66 3gnn h ALA 34 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gnn h ALA 34 Cb 1.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gnn h ALA 34 CO 0.09 0.57 -0.14 1.49 0.00 0.00 0.00 179.25 181.26 3gnn h GLU 35 N 1.12 0.00 0.00 0.00 4.81 -1.13 0.22 114.58 119.60 3gnn h GLU 35 Ca 0.29 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3gnn h GLU 35 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3gnn h GLU 35 CO -0.06 0.14 -0.39 0.22 -0.73 0.00 0.00 179.01 178.20 3gnn h ASP 36 N 0.00 0.00 0.00 1.04 3.58 -1.16 -2.55 116.42 117.33 3gnn h ASP 36 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3gnn h ASP 36 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3gnn h ASP 36 CO 0.02 0.39 -0.15 0.58 -2.88 0.00 0.00 179.24 177.20 3gnn h VAL 37 N 0.00 1.60 -0.46 2.25 2.07 -0.63 -3.28 116.25 117.79 3gnn h VAL 37 Ca -0.00 -1.95 0.13 0.00 0.82 0.00 0.00 66.70 65.70 3gnn h VAL 37 Cb 1.20 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 3gnn h VAL 37 CO 0.05 0.52 0.60 1.23 0.02 0.00 0.00 177.57 179.99 3gnn h GLY 38 N -0.65 0.00 0.00 2.17 0.00 -1.10 -3.44 103.07 100.05 3gnn h GLY 38 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3gnn h GLY 38 CO 0.03 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.01 3gnn n SER 39 N -3.47 0.00 -2.01 0.19 7.64 -0.97 -5.08 113.62 109.92 3gnn n SER 39 Ca 0.09 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 3gnn n SER 39 Cb 0.78 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.01 3gnn n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gnn n GLY 40 N 0.00 0.18 2.16 0.23 0.00 -1.25 -4.87 105.19 101.63 3gnn n GLY 40 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3gnn n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gnn n ASP 41 N -1.23 -6.40 -4.45 1.61 10.43 -1.26 -5.13 116.55 110.12 3gnn n ASP 41 Ca -0.06 1.51 -0.36 0.00 2.57 0.00 0.00 54.79 58.45 3gnn n ASP 41 Cb 0.55 -4.02 -0.03 0.00 1.84 0.00 0.00 41.12 39.46 3gnn n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gnn n GLN 42 N 1.89 2.28 -1.21 -1.24 3.00 -1.26 -5.28 117.38 115.55 3gnn n GLN 42 Ca 0.00 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.26 3gnn n GLN 42 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 30.24 26.69 3gnn n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gnn n ALA 51 N 11.02 -2.42 -2.57 -1.58 0.00 -1.26 -5.34 120.51 118.36 3gnn n ALA 51 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 3gnn n ALA 51 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 3gnn n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gnn s PRO 52 N -0.41 3.48 0.43 0.00 0.04 -1.26 -3.64 135.00 133.63 3gnn s PRO 52 Ca 0.00 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.17 3gnn s PRO 52 Cb 0.00 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 3gnn s PRO 52 CO 0.00 -1.24 0.47 1.03 0.04 0.00 0.00 177.00 177.30 3gnn s ARG 53 N 3.71 2.62 0.25 4.56 1.81 -0.56 -4.89 118.95 126.44 3gnn s ARG 53 Ca 0.35 -1.46 0.10 0.00 -1.72 0.00 0.00 55.73 53.00 3gnn s ARG 53 Cb -0.11 -2.52 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 3gnn s ARG 53 CO 0.25 -0.27 -0.17 1.03 -0.68 0.00 0.00 175.30 175.45 3gnn s ARG 54 N -4.24 1.53 -0.17 3.54 0.52 -1.26 -1.50 118.95 117.36 3gnn s ARG 54 Ca 0.51 -1.70 -0.27 0.00 -0.52 0.00 0.00 55.73 53.76 3gnn s ARG 54 Cb -0.06 -1.47 0.07 0.00 0.52 0.00 0.00 34.95 34.01 3gnn s ARG 54 CO 0.30 0.25 0.68 0.00 0.02 0.00 0.00 175.30 176.55 3gnn s ALA 55 N -2.73 -1.71 0.17 2.13 0.00 -0.80 -4.99 121.76 113.84 3gnn s ALA 55 Ca 0.27 1.67 0.11 0.00 0.00 0.00 0.00 51.96 54.00 3gnn s ALA 55 Cb -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 3gnn s ALA 55 CO 0.11 -0.34 -0.21 1.03 0.00 0.00 0.00 175.76 176.35 3gnn s ARG 56 N -0.28 1.65 -0.06 0.00 0.52 -1.26 -0.79 118.95 118.72 3gnn s ARG 56 Ca -0.05 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 3gnn s ARG 56 Cb -0.03 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 3gnn s ARG 56 CO 0.05 0.42 -0.20 0.08 0.02 0.00 0.00 175.30 175.66 3gnn s VAL 57 N -1.55 2.49 -0.05 3.52 1.01 -0.56 -1.75 120.40 123.51 3gnn s VAL 57 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3gnn s VAL 57 Cb -0.09 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3gnn s VAL 57 CO 0.11 0.57 -0.05 -0.63 0.00 0.00 0.00 175.10 175.10 3gnn s ILE 58 N -0.27 0.61 -0.01 2.22 -1.09 0.25 0.04 121.20 122.94 3gnn s ILE 58 Ca 0.00 -0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.00 3gnn s ILE 58 Cb -0.13 -0.64 -0.03 0.00 -1.58 0.00 0.00 42.46 40.08 3gnn s ILE 58 CO 0.03 0.25 0.92 0.54 -1.23 0.00 0.00 174.94 175.45 3gnn s VAL 59 N 1.08 4.89 -0.28 2.92 0.11 -0.63 -1.46 120.40 127.04 3gnn s VAL 59 Ca -0.08 1.93 0.11 0.00 -2.93 0.00 0.00 61.98 61.01 3gnn s VAL 59 Cb -0.14 -4.26 0.67 0.00 -1.53 0.00 0.00 36.38 31.12 3gnn s VAL 59 CO -0.01 0.19 1.67 0.54 -3.33 0.00 0.00 175.10 174.16 3gnn n ARG 60 N 3.83 3.33 -3.60 1.54 1.74 -0.21 0.74 116.66 124.03 3gnn n ARG 60 Ca 0.04 -3.06 -0.08 0.00 -0.77 0.00 0.00 57.85 53.99 3gnn n ARG 60 Cb 0.51 -2.08 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 3gnn n ARG 60 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3gnn s GLU 61 N -2.99 1.20 0.38 5.56 -1.05 -1.26 -4.66 118.70 115.89 3gnn s GLU 61 Ca 0.51 -0.55 -0.28 0.00 -0.15 0.00 0.00 54.97 54.50 3gnn s GLU 61 Cb 0.41 0.48 -0.11 0.00 -0.44 0.00 0.00 34.13 34.48 3gnn s GLU 61 CO 0.11 -0.54 1.46 -0.25 0.95 0.00 0.00 175.26 176.99 3gnn n ASP 62 N -0.37 3.66 -3.54 0.83 8.00 -1.26 -4.01 116.55 119.86 3gnn n ASP 62 Ca -0.10 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.54 3gnn n ASP 62 Cb 0.62 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3gnn n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gnn s ALA 63 N -1.12 -1.89 -0.03 2.24 0.00 -0.57 -4.94 121.76 115.46 3gnn s ALA 63 Ca 0.54 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.55 3gnn s ALA 63 Cb -0.48 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3gnn s ALA 63 CO 0.63 -0.56 0.61 0.08 0.00 0.00 0.00 175.76 176.52 3gnn s VAL 64 N -2.44 4.98 0.08 0.00 1.01 -1.26 0.12 120.40 122.88 3gnn s VAL 64 Ca 0.03 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 3gnn s VAL 64 Cb -0.01 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3gnn s VAL 64 CO -0.05 0.36 1.01 -0.22 0.00 0.00 0.00 175.10 176.20 3gnn s LEU 65 N 0.18 4.44 -0.01 3.92 2.96 -0.88 -4.58 118.68 124.70 3gnn s LEU 65 Ca 0.32 1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 55.85 3gnn s LEU 65 Cb -0.18 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.96 3gnn s LEU 65 CO 0.17 -0.19 0.40 0.00 -1.32 0.00 0.00 176.35 175.40 3gnn n GLY 67 N 1.09 0.66 0.26 0.00 0.00 -1.26 -3.36 105.19 102.58 3gnn n GLY 67 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gnn n GLY 67 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gnn h VAL 68 N 0.00 0.88 -0.32 1.61 2.07 -1.94 -0.25 116.25 118.30 3gnn h VAL 68 Ca 0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3gnn h VAL 68 Cb 0.00 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3gnn h VAL 68 CO 0.00 0.11 0.11 -0.65 0.02 0.00 0.00 177.57 177.17 3gnn h PRO 69 N 0.62 0.45 0.06 1.57 0.11 -1.95 0.26 132.00 133.12 3gnn h PRO 69 Ca 0.33 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 3gnn h PRO 69 Cb 0.32 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.35 3gnn h PRO 69 CO -0.25 0.39 -0.39 -1.49 -0.21 0.00 0.00 178.00 176.05 3gnn h TRP 70 N 0.45 0.27 -0.46 0.65 6.55 -1.71 -2.50 115.95 119.20 3gnn h TRP 70 Ca 0.11 -0.19 0.09 0.00 0.95 0.00 0.00 58.89 59.84 3gnn h TRP 70 Cb 0.12 -0.01 -0.07 0.00 -0.86 0.00 0.00 29.16 28.33 3gnn h TRP 70 CO 0.00 1.14 0.01 0.35 -1.05 0.00 0.00 178.44 178.89 3gnn h PHE 71 N -0.67 -0.00 -0.89 0.49 3.57 -0.95 -1.35 116.94 117.15 3gnn h PHE 71 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3gnn h PHE 71 Cb 1.29 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 3gnn h PHE 71 CO 0.23 -0.09 0.47 -0.44 -2.23 0.00 0.00 178.31 176.26 3gnn h ASP 72 N 0.13 1.12 -0.13 0.41 3.32 -1.00 -2.59 116.42 117.68 3gnn h ASP 72 Ca 0.23 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3gnn h ASP 72 Cb 0.33 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3gnn h ASP 72 CO -0.37 0.91 -0.37 0.00 -1.72 0.00 0.00 179.24 177.69 3gnn h ALA 73 N 1.27 0.82 -0.33 3.45 0.00 -1.00 -1.31 119.26 122.16 3gnn h ALA 73 Ca 0.31 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gnn h ALA 73 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gnn h ALA 73 CO -0.05 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.26 3gnn h VAL 74 N 0.54 1.19 -0.13 0.00 2.07 -1.14 -0.14 116.25 118.64 3gnn h VAL 74 Ca 0.05 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3gnn h VAL 74 Cb 0.89 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3gnn h VAL 74 CO 0.08 0.20 0.05 0.58 0.02 0.00 0.00 177.57 178.50 3gnn h VAL 75 N 0.38 0.98 0.00 2.57 2.07 -1.34 0.33 116.25 121.24 3gnn h VAL 75 Ca 0.11 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 3gnn h VAL 75 Cb 0.19 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3gnn h VAL 75 CO -0.01 0.02 -0.40 0.08 0.02 0.00 0.00 177.57 177.28 3gnn h ARG 76 N 0.12 0.00 -0.67 1.57 0.11 -1.10 0.90 114.38 115.31 3gnn h ARG 76 Ca 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3gnn h ARG 76 Cb 0.03 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 3gnn h ARG 76 CO -0.05 0.40 0.37 0.00 0.10 0.00 0.00 179.97 180.79 3gnn h ALA 77 N 1.60 1.39 -0.00 0.08 0.00 -0.41 -2.50 119.26 119.41 3gnn h ALA 77 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gnn h ALA 77 Cb 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gnn h ALA 77 CO 0.05 0.50 -0.08 0.28 0.00 0.00 0.00 179.25 180.00 3gnn h VAL 78 N 0.93 1.57 -0.99 0.00 2.07 0.20 -3.45 116.25 116.58 3gnn h VAL 78 Ca 0.24 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.03 3gnn h VAL 78 Cb 0.02 2.76 -0.21 0.00 -1.52 0.00 0.00 31.29 32.33 3gnn h VAL 78 CO -0.04 0.48 -0.31 -0.62 0.02 0.00 0.00 177.57 177.10 3gnn s ASP 79 N -6.08 -1.47 0.19 0.57 -1.08 0.20 -5.04 116.67 103.96 3gnn s ASP 79 Ca -0.17 0.60 0.19 0.00 -0.52 0.00 0.00 52.55 52.65 3gnn s ASP 79 Cb -0.00 2.10 0.85 0.00 -1.46 0.00 0.00 42.92 44.41 3gnn s ASP 79 CO 0.70 -0.27 1.58 -0.81 0.52 0.00 0.00 175.17 176.90 3gnn n PRO 80 N 5.42 0.12 0.13 4.34 -0.04 -0.95 -1.88 135.00 142.15 3gnn n PRO 80 Ca 0.01 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 3gnn n PRO 80 Cb 0.52 -1.77 0.37 0.00 -0.04 0.00 0.00 33.50 32.59 3gnn n PRO 80 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3gnn h SER 81 N 0.00 0.00 -2.50 3.54 0.02 -1.92 -3.46 113.55 109.23 3gnn h SER 81 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3gnn h SER 81 Cb 0.24 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.85 3gnn h SER 81 CO 0.00 0.00 0.82 -0.38 -1.14 0.00 0.00 176.83 176.13 3gnn n ILE 82 N -2.44 0.24 -3.86 3.27 5.41 -0.79 -4.86 119.36 116.33 3gnn n ILE 82 Ca 0.05 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.37 3gnn n ILE 82 Cb 0.43 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 37.64 3gnn n ILE 82 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3gnn s GLU 83 N 0.63 3.47 -0.08 0.38 2.12 -0.87 -4.91 118.70 119.42 3gnn s GLU 83 Ca 0.75 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.98 3gnn s GLU 83 Cb -0.62 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 30.60 3gnn s GLU 83 CO 0.39 0.77 -0.13 0.08 -0.54 0.00 0.00 175.26 175.83 3gnn s VAL 84 N -1.06 1.29 -0.12 3.70 1.01 -1.26 -1.77 120.40 122.19 3gnn s VAL 84 Ca 0.16 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3gnn s VAL 84 Cb -0.12 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3gnn s VAL 84 CO 0.06 0.39 -0.18 -1.81 0.00 0.00 0.00 175.10 173.56 3gnn s ASP 85 N 0.84 2.68 -0.01 3.32 1.01 -0.05 -4.95 116.67 119.51 3gnn s ASP 85 Ca -0.11 -0.49 -0.17 0.00 0.71 0.00 0.00 52.55 52.49 3gnn s ASP 85 Cb -0.15 -1.22 -0.06 0.00 1.01 0.00 0.00 42.92 42.50 3gnn s ASP 85 CO 0.01 0.04 0.48 0.26 0.21 0.00 0.00 175.17 176.18 3gnn s TRP 86 N 0.91 3.69 -1.94 4.23 0.52 -1.26 -0.49 118.94 124.60 3gnn s TRP 86 Ca -0.07 1.06 0.20 0.00 0.02 0.00 0.00 56.10 57.30 3gnn s TRP 86 Cb -0.15 -2.43 0.02 0.00 -1.15 0.00 0.00 33.47 29.76 3gnn s TRP 86 CO -0.01 0.49 1.02 0.54 0.02 0.00 0.00 176.95 179.01 3gnn n ARG 87 N 2.32 1.49 -3.98 4.98 5.12 0.80 -4.94 116.66 122.46 3gnn n ARG 87 Ca -0.11 -1.06 -0.08 0.00 -1.93 0.00 0.00 57.85 54.68 3gnn n ARG 87 Cb 0.52 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 30.33 3gnn n ARG 87 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3gnn s HIS 88 N -2.16 0.33 0.04 -1.55 3.76 -1.22 -4.99 115.29 109.50 3gnn s HIS 88 Ca 0.18 -0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 54.29 3gnn s HIS 88 Cb 0.16 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 3gnn s HIS 88 CO 0.47 -0.44 0.16 1.03 -0.85 0.00 0.00 174.74 175.11 3gnn s ARG 89 N -3.68 3.28 0.18 1.40 0.52 -1.26 -4.82 118.95 114.56 3gnn s ARG 89 Ca 0.04 -0.46 -0.33 0.00 -0.52 0.00 0.00 55.73 54.46 3gnn s ARG 89 Cb 0.05 -2.97 -0.15 0.00 0.52 0.00 0.00 34.95 32.40 3gnn s ARG 89 CO -0.10 0.62 1.22 0.39 0.02 0.00 0.00 175.30 177.45 3gnn n GLU 90 N 0.61 1.30 0.00 3.54 1.02 0.15 -0.73 120.64 126.53 3gnn n GLU 90 Ca -0.08 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3gnn n GLU 90 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3gnn n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnn n GLY 91 N 2.09 2.38 3.75 0.62 0.00 0.01 -4.62 105.19 109.43 3gnn n GLY 91 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3gnn n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gnn s ASP 92 N -1.39 6.58 -0.61 1.61 1.01 0.10 -4.75 116.67 119.22 3gnn s ASP 92 Ca 0.00 2.77 -0.25 0.00 0.71 0.00 0.00 52.55 55.77 3gnn s ASP 92 Cb 0.00 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.34 3gnn s ASP 92 CO 0.00 -0.75 1.05 -0.13 0.21 0.00 0.00 175.17 175.56 3gnn s ARG 93 N -0.71 3.30 0.15 8.23 0.52 -1.26 -2.07 118.95 127.10 3gnn s ARG 93 Ca 0.58 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.40 3gnn s ARG 93 Cb -0.43 -4.10 -0.07 0.00 0.52 0.00 0.00 34.95 30.87 3gnn s ARG 93 CO 0.47 -1.71 0.50 -1.64 0.02 0.00 0.00 175.30 172.94 3gnn s MET 94 N 4.48 3.85 0.23 3.54 -1.94 0.31 -4.93 119.30 124.84 3gnn s MET 94 Ca 0.32 0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.60 3gnn s MET 94 Cb -0.12 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3gnn s MET 94 CO 0.18 0.46 0.43 -1.54 -0.01 0.00 0.00 175.02 174.54 3gnn s SER 95 N -1.93 6.39 0.45 3.03 1.04 -1.26 -1.50 113.70 119.91 3gnn s SER 95 Ca 0.39 0.45 -0.22 0.00 0.48 0.00 0.00 55.95 57.05 3gnn s SER 95 Cb -0.14 -2.03 -0.11 0.00 0.10 0.00 0.00 66.02 63.85 3gnn s SER 95 CO 0.20 -0.09 0.79 0.00 0.98 0.00 0.00 173.24 175.12 3gnn n ALA 96 N -0.82 -0.57 -0.86 5.32 0.00 -1.26 -2.27 120.51 120.05 3gnn n ALA 96 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gnn n ALA 96 Cb 0.54 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3gnn n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gnn n ASP 97 N 0.67 -2.16 -4.77 0.00 8.00 0.23 -4.89 116.55 113.63 3gnn n ASP 97 Ca 0.11 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 3gnn n ASP 97 Cb 0.41 -1.65 -0.01 0.00 -0.02 0.00 0.00 41.12 39.84 3gnn n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gnn s SER 98 N -2.25 6.47 0.17 -2.24 0.01 -0.96 -4.78 113.70 110.12 3gnn s SER 98 Ca 0.00 2.91 -0.31 0.00 1.31 0.00 0.00 55.95 59.86 3gnn s SER 98 Cb 0.00 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 3gnn s SER 98 CO 0.00 -0.80 1.48 -0.89 0.41 0.00 0.00 173.24 173.44 3gnn s THR 99 N -0.70 2.86 -0.17 1.44 2.01 -1.26 -1.60 115.64 118.22 3gnn s THR 99 Ca 0.56 0.64 0.16 0.00 0.31 0.00 0.00 61.69 63.36 3gnn s THR 99 Cb -0.45 -3.41 -0.23 0.00 0.01 0.00 0.00 72.50 68.42 3gnn s THR 99 CO 0.55 0.06 0.08 1.33 -0.69 0.00 0.00 174.62 175.95 3gnn n VAL 100 N 3.55 1.17 -3.53 3.82 0.24 0.11 -4.72 118.33 118.96 3gnn n VAL 100 Ca 0.11 -0.75 -0.07 0.00 -2.04 0.00 0.00 64.34 61.59 3gnn n VAL 100 Cb 0.40 -0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 3gnn n VAL 100 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gnn s GLU 102 N -2.94 1.38 0.09 0.00 2.12 0.35 -1.50 118.70 118.20 3gnn s GLU 102 Ca 0.06 -1.24 0.05 0.00 0.36 0.00 0.00 54.97 54.20 3gnn s GLU 102 Cb -0.01 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.60 3gnn s GLU 102 CO -0.08 0.42 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.42 3gnn s LEU 103 N -1.85 2.34 -0.04 2.70 1.02 0.03 -0.87 118.68 122.00 3gnn s LEU 103 Ca 0.11 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 3gnn s LEU 103 Cb -0.10 -0.48 0.03 0.00 0.02 0.00 0.00 46.19 45.66 3gnn s LEU 103 CO 0.05 -0.14 0.03 -0.13 0.02 0.00 0.00 176.35 176.19 3gnn s ARG 104 N -2.24 0.14 0.00 1.70 0.52 -0.73 -1.90 118.95 116.43 3gnn s ARG 104 Ca 0.03 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3gnn s ARG 104 Cb -0.07 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.81 3gnn s ARG 104 CO 0.02 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.47 3gnn n GLY 105 N 4.98 -0.81 3.75 -3.53 0.00 -0.56 -2.06 105.19 106.96 3gnn n GLY 105 Ca -0.10 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3gnn n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gnn n PRO 106 N -0.17 1.98 -0.23 1.61 -0.04 -1.26 -1.50 135.00 135.39 3gnn n PRO 106 Ca 0.00 0.71 -0.06 0.00 -0.04 0.00 0.00 63.50 64.11 3gnn n PRO 106 Cb 0.00 -2.59 0.04 0.00 -0.04 0.00 0.00 33.50 30.91 3gnn n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnn h ALA 107 N 1.89 0.83 0.49 0.55 0.00 -1.91 -0.31 119.26 120.81 3gnn h ALA 107 Ca -0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3gnn h ALA 107 Cb 1.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gnn h ALA 107 CO 0.59 0.33 -0.28 -0.09 0.00 0.00 0.00 179.25 179.81 3gnn h ARG 108 N 0.89 -0.70 -0.95 0.00 2.43 -1.92 -1.26 114.38 112.88 3gnn h ARG 108 Ca 0.23 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.65 3gnn h ARG 108 Cb 0.02 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 3gnn h ARG 108 CO -0.04 -0.47 0.52 0.00 -1.51 0.00 0.00 179.97 178.47 3gnn h ALA 109 N -0.25 1.57 0.00 2.80 0.00 -1.84 -1.28 119.26 120.26 3gnn h ALA 109 Ca -0.06 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3gnn h ALA 109 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gnn h ALA 109 CO 0.08 -0.19 -0.49 -0.07 0.00 0.00 0.00 179.25 178.58 3gnn h LEU 110 N 0.60 0.00 -0.04 0.00 3.38 -0.39 -1.17 115.31 117.69 3gnn h LEU 110 Ca 0.57 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.31 3gnn h LEU 110 Cb 0.98 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.75 3gnn h LEU 110 CO -0.44 0.49 -0.88 -0.07 0.09 0.00 0.00 178.44 177.63 3gnn h LEU 111 N 0.00 0.85 -0.93 1.67 4.07 -0.41 -1.03 115.31 119.54 3gnn h LEU 111 Ca -0.00 -0.71 -0.01 0.00 0.08 0.00 0.00 57.88 57.23 3gnn h LEU 111 Cb 0.88 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 3gnn h LEU 111 CO 0.06 1.44 0.54 0.74 -1.08 0.00 0.00 178.44 180.14 3gnn h THR 112 N 0.34 1.26 -0.80 0.22 2.02 -1.17 -0.27 112.91 114.51 3gnn h THR 112 Ca -0.10 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3gnn h THR 112 Cb 1.54 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3gnn h THR 112 CO 0.18 0.28 0.51 0.00 0.37 0.00 0.00 175.52 176.86 3gnn h ALA 113 N 1.30 1.05 -0.10 6.16 0.00 -1.12 -1.03 119.26 125.51 3gnn h ALA 113 Ca 0.33 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3gnn h ALA 113 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gnn h ALA 113 CO -0.06 0.34 -0.59 1.49 0.00 0.00 0.00 179.25 180.43 3gnn h GLU 114 N 1.01 0.34 -0.35 0.00 4.81 -0.66 0.16 114.58 119.89 3gnn h GLU 114 Ca 0.32 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3gnn h GLU 114 Cb -0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3gnn h GLU 114 CO -0.11 0.83 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.84 3gnn h ARG 115 N 0.25 0.57 0.00 1.92 2.43 -0.71 -3.33 114.38 115.52 3gnn h ARG 115 Ca -0.00 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.87 3gnn h ARG 115 Cb 1.11 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3gnn h ARG 115 CO 0.10 0.65 -1.68 0.09 -1.51 0.00 0.00 179.97 177.62 3gnn n ASN 116 N -4.22 2.30 -0.09 -3.80 3.02 -0.42 -4.72 115.26 107.33 3gnn n ASN 116 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 3gnn n ASN 116 Cb 0.30 1.01 -0.15 0.00 -0.61 0.00 0.00 39.78 40.33 3gnn n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gnn n ALA 117 N -2.25 1.48 0.20 5.41 0.00 0.54 -4.38 120.51 121.51 3gnn n ALA 117 Ca -0.13 -1.23 0.04 0.00 0.00 0.00 0.00 53.44 52.12 3gnn n ALA 117 Cb 0.69 -0.25 0.41 0.00 0.00 0.00 0.00 19.45 20.29 3gnn n ALA 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gnn h LEU 118 N 0.00 0.00 -1.21 0.00 5.85 -1.66 -2.72 115.31 115.57 3gnn h LEU 118 Ca -0.53 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.36 3gnn h LEU 118 Cb 2.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 43.11 3gnn h LEU 118 CO 0.02 0.32 0.60 0.78 -0.34 0.00 0.00 178.44 179.82 3gnn h ASN 119 N 0.00 0.68 -0.50 1.25 2.35 -1.84 -1.58 115.58 115.94 3gnn h ASN 119 Ca -0.00 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3gnn h ASN 119 Cb 0.57 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3gnn h ASN 119 CO 0.04 0.30 0.12 -0.26 -1.65 0.00 0.00 177.43 175.98 3gnn h PHE 120 N 0.69 0.89 -0.25 1.19 0.04 -1.73 -0.23 116.94 117.54 3gnn h PHE 120 Ca 0.50 -0.09 -0.16 0.00 2.80 0.00 0.00 57.97 61.02 3gnn h PHE 120 Cb 0.85 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3gnn h PHE 120 CO -0.00 0.76 -0.47 -0.07 -0.60 0.00 0.00 178.31 177.92 3gnn h LEU 121 N 0.82 0.86 -0.58 1.54 3.38 -1.41 -0.70 115.31 119.22 3gnn h LEU 121 Ca 0.18 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3gnn h LEU 121 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3gnn h LEU 121 CO 0.00 1.23 0.34 1.56 0.09 0.00 0.00 178.44 181.67 3gnn h GLN 122 N 0.51 0.65 0.11 1.13 4.20 -1.12 0.39 115.11 120.98 3gnn h GLN 122 Ca 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3gnn h GLN 122 Cb 1.08 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3gnn h GLN 122 CO 0.11 0.43 -0.05 1.25 -0.67 0.00 0.00 178.83 179.90 3gnn h LEU 123 N 0.67 -0.12 -0.38 1.46 5.85 -0.95 0.94 115.31 122.79 3gnn h LEU 123 Ca 0.24 -0.43 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 3gnn h LEU 123 Cb 0.05 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3gnn h LEU 123 CO -0.11 0.42 -0.81 -0.07 -0.34 0.00 0.00 178.44 177.53 3gnn h LEU 124 N -0.72 0.14 -0.37 2.25 3.38 -1.15 -2.18 115.31 116.65 3gnn h LEU 124 Ca -0.01 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3gnn h LEU 124 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gnn h LEU 124 CO 0.02 0.89 0.01 0.28 0.09 0.00 0.00 178.44 179.73 3gnn h SER 125 N 0.06 0.63 -0.45 -0.43 0.02 -0.92 0.20 113.55 112.67 3gnn h SER 125 Ca -0.03 -0.30 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 3gnn h SER 125 Cb 1.42 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.72 3gnn h SER 125 CO 0.12 0.78 0.02 1.23 -1.14 0.00 0.00 176.83 177.84 3gnn h GLY 126 N 0.47 0.47 0.98 -3.77 0.00 -1.03 0.20 103.07 100.39 3gnn h GLY 126 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3gnn h GLY 126 CO 0.02 -0.10 0.15 -2.08 0.00 0.00 0.00 176.54 174.53 3gnn h VAL 127 N 0.14 1.24 -0.68 4.60 2.07 -1.30 -0.13 116.25 122.18 3gnn h VAL 127 Ca 0.22 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3gnn h VAL 127 Cb 0.32 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3gnn h VAL 127 CO -0.35 0.30 0.16 0.00 0.02 0.00 0.00 177.57 177.70 3gnn h ALA 128 N 1.02 0.90 0.04 1.67 0.00 0.06 0.35 119.26 123.30 3gnn h ALA 128 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gnn h ALA 128 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gnn h ALA 128 CO -0.00 0.63 -0.02 0.77 0.00 0.00 0.00 179.25 180.63 3gnn h SER 129 N 1.03 -0.04 -0.36 0.00 0.02 -0.56 -0.35 113.55 113.29 3gnn h SER 129 Ca 0.21 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3gnn h SER 129 Cb 0.38 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3gnn h SER 129 CO 0.00 0.30 0.15 0.00 -1.14 0.00 0.00 176.83 176.15 3gnn h ALA 130 N 0.56 0.43 -0.93 3.77 0.00 -0.94 -1.68 119.26 120.47 3gnn h ALA 130 Ca -0.00 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3gnn h ALA 130 Cb 0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3gnn h ALA 130 CO 0.01 -0.23 0.52 1.15 0.00 0.00 0.00 179.25 180.69 3gnn h THR 131 N 0.32 0.71 -0.16 0.00 2.02 -0.63 0.20 112.91 115.36 3gnn h THR 131 Ca 0.16 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3gnn h THR 131 Cb 0.11 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3gnn h THR 131 CO -0.14 0.13 0.08 -0.09 0.37 0.00 0.00 175.52 175.87 3gnn h ARG 132 N 0.69 0.22 -0.44 6.66 1.12 -0.18 0.48 114.38 122.93 3gnn h ARG 132 Ca 0.52 -0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.40 3gnn h ARG 132 Cb 0.78 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.66 3gnn h ARG 132 CO -0.38 0.24 0.22 1.96 -3.11 0.00 0.00 179.97 178.91 3gnn h GLN 133 N 0.14 0.43 -0.56 0.20 4.20 -0.64 0.18 115.11 119.06 3gnn h GLN 133 Ca 0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3gnn h GLN 133 Cb 0.09 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3gnn h GLN 133 CO -0.01 0.29 0.29 1.88 -0.67 0.00 0.00 178.83 180.60 3gnn h TYR 134 N 0.45 0.76 -0.09 2.96 -1.99 -0.57 -1.72 116.97 116.76 3gnn h TYR 134 Ca 0.19 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.85 3gnn h TYR 134 Cb 0.09 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 3gnn h TYR 134 CO -0.10 0.55 -0.15 0.28 -0.00 0.00 0.00 178.16 178.74 3gnn h VAL 135 N 0.78 1.39 -0.28 -2.88 2.07 -0.03 -2.99 116.25 114.31 3gnn h VAL 135 Ca 0.20 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3gnn h VAL 135 Cb 0.05 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3gnn h VAL 135 CO -0.03 0.40 0.15 0.44 0.02 0.00 0.00 177.57 178.55 3gnn h ASP 136 N -0.19 0.25 -0.16 0.57 3.32 -0.52 -1.48 116.42 118.21 3gnn h ASP 136 Ca 0.01 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3gnn h ASP 136 Cb 0.71 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 3gnn h ASP 136 CO 0.03 0.18 -0.38 0.03 -1.72 0.00 0.00 179.24 177.39 3gnn h ARG 137 N 0.32 -0.42 -0.51 3.56 3.08 -1.37 -2.88 114.38 116.15 3gnn h ARG 137 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gnn h ARG 137 Cb 0.01 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3gnn h ARG 137 CO -0.06 -0.28 0.00 0.44 -1.07 0.00 0.00 179.97 179.00 3gnn n ILE 138 N -5.43 0.81 -0.59 2.04 -5.35 -1.09 -4.94 119.36 104.81 3gnn n ILE 138 Ca -0.03 -0.59 -0.29 0.00 -0.27 0.00 0.00 62.75 61.57 3gnn n ILE 138 Cb 0.35 0.06 0.26 0.00 -1.74 0.00 0.00 39.64 38.57 3gnn n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gnn s ALA 139 N -1.62 -0.43 0.00 -1.28 0.00 -0.58 -3.10 121.76 114.76 3gnn s ALA 139 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3gnn s ALA 139 Cb 0.16 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3gnn s ALA 139 CO 0.15 -3.95 0.00 -0.40 0.00 0.00 0.00 175.76 171.56 3gnn n ASP 140 N -5.03 0.00 -4.63 0.00 5.68 -1.26 -4.91 116.55 106.41 3gnn n ASP 140 Ca 0.05 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.10 3gnn n ASP 140 Cb 0.56 -0.16 0.12 0.00 -1.14 0.00 0.00 41.12 40.50 3gnn n ASP 140 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3gnn s THR 141 N -0.34 2.05 -0.53 2.12 -4.23 -1.18 -5.02 115.64 108.50 3gnn s THR 141 Ca 0.00 -0.60 0.24 0.00 -1.18 0.00 0.00 61.69 60.15 3gnn s THR 141 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.40 3gnn s THR 141 CO 0.00 0.00 1.20 0.03 -0.54 0.00 0.00 174.62 175.31 3gnn h ARG 142 N -0.61 0.00 -6.45 3.99 3.08 -1.89 -3.47 114.38 109.04 3gnn h ARG 142 Ca -0.35 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.16 3gnn h ARG 142 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3gnn h ARG 142 CO 0.38 0.00 0.60 0.00 -1.07 0.00 0.00 179.97 179.87 3gnn s ALA 143 N -3.22 3.42 0.02 0.04 0.00 -1.26 -4.84 121.76 115.92 3gnn s ALA 143 Ca 0.04 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3gnn s ALA 143 Cb 0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3gnn s ALA 143 CO 0.75 -0.51 -0.01 1.03 0.00 0.00 0.00 175.76 177.02 3gnn s ARG 144 N 1.32 2.71 0.06 0.00 3.00 0.22 -4.84 118.95 121.42 3gnn s ARG 144 Ca 0.59 -0.68 -0.30 0.00 0.00 0.00 0.00 55.73 55.34 3gnn s ARG 144 Cb -0.29 -2.62 -0.05 0.00 0.00 0.00 0.00 34.95 31.99 3gnn s ARG 144 CO 0.28 0.60 1.07 0.42 0.00 0.00 0.00 175.30 177.67 3gnn s ILE 145 N -1.13 4.38 0.10 1.52 -1.09 -1.26 -1.89 121.20 121.83 3gnn s ILE 145 Ca 0.21 1.78 0.07 0.00 -2.23 0.00 0.00 60.65 60.48 3gnn s ILE 145 Cb -0.12 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 3gnn s ILE 145 CO 0.12 0.18 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.62 3gnn s LEU 146 N 0.68 2.33 0.03 2.97 0.20 -0.01 -1.46 118.68 123.42 3gnn s LEU 146 Ca 0.53 -0.71 -0.30 0.00 0.69 0.00 0.00 54.13 54.33 3gnn s LEU 146 Cb -0.26 -0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 44.78 3gnn s LEU 146 CO 0.30 -0.05 1.17 1.51 -0.29 0.00 0.00 176.35 178.99 3gnn s ASP 147 N -2.07 7.12 0.91 3.68 3.84 -1.26 -0.78 116.67 128.10 3gnn s ASP 147 Ca 0.05 1.93 -0.10 0.00 -0.00 0.00 0.00 52.55 54.43 3gnn s ASP 147 Cb -0.08 -2.57 0.15 0.00 -1.38 0.00 0.00 42.92 39.03 3gnn s ASP 147 CO 0.04 -0.46 1.15 1.07 -0.00 0.00 0.00 175.17 176.96 3gnn n THR 148 N 4.05 0.12 0.08 2.11 5.66 -0.05 -4.75 114.28 121.50 3gnn n THR 148 Ca 0.09 -0.01 -0.07 0.00 -3.05 0.00 0.00 64.05 61.01 3gnn n THR 148 Cb 0.47 -1.01 -0.06 0.00 -1.55 0.00 0.00 70.33 68.18 3gnn n THR 148 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3gnn h ARG 149 N -1.85 0.05 -6.55 1.09 3.08 -1.95 -3.44 114.38 104.81 3gnn h ARG 149 Ca -0.43 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.02 3gnn h ARG 149 Cb 1.27 0.02 0.04 0.00 0.08 0.00 0.00 29.97 31.39 3gnn h ARG 149 CO 0.41 0.95 1.03 0.15 -1.07 0.00 0.00 179.97 181.44 3gnn s LYS 150 N -2.93 4.16 0.03 0.04 -0.14 -1.26 -5.00 119.74 114.65 3gnn s LYS 150 Ca -0.00 2.50 0.01 0.00 -1.36 0.00 0.00 55.97 57.12 3gnn s LYS 150 Cb 0.10 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 3gnn s LYS 150 CO 0.82 -0.76 -0.06 0.95 -0.76 0.00 0.00 175.35 175.54 3gnn s THR 151 N 2.08 0.35 -0.01 2.17 -4.23 -1.26 -4.77 115.64 109.97 3gnn s THR 151 Ca 0.76 -1.02 -0.35 0.00 -1.18 0.00 0.00 61.69 59.91 3gnn s THR 151 Cb -0.45 -0.47 -0.13 0.00 1.34 0.00 0.00 72.50 72.78 3gnn s THR 151 CO 0.34 -0.44 1.71 0.18 -0.54 0.00 0.00 174.62 175.86 3gnn n LEU 152 N 1.50 3.02 -4.67 4.79 4.32 -1.26 -4.92 117.00 119.78 3gnn n LEU 152 Ca -0.23 1.04 -0.45 0.00 -0.02 0.00 0.00 56.01 56.34 3gnn n LEU 152 Cb 0.55 -1.34 -0.04 0.00 -1.62 0.00 0.00 43.42 40.97 3gnn n LEU 152 CO 0.20 -0.28 1.17 -2.65 -1.22 0.00 0.00 177.39 174.62 3gnn n PRO 153 N 5.00 2.17 -0.82 3.23 -0.02 -1.26 -1.57 135.00 141.74 3gnn n PRO 153 Ca 0.21 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3gnn n PRO 153 Cb 0.26 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3gnn n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gnn n GLY 154 N 3.15 1.18 0.79 -1.23 0.00 -1.26 -4.91 105.19 102.91 3gnn n GLY 154 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3gnn n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnn n LEU 155 N 0.00 1.93 -0.06 0.99 4.77 -0.61 -4.80 117.00 119.22 3gnn n LEU 155 Ca 0.00 -2.99 -0.13 0.00 -0.03 0.00 0.00 56.01 52.86 3gnn n LEU 155 Cb 0.00 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 3gnn n LEU 155 CO 0.00 0.95 0.61 -0.09 -1.33 0.00 0.00 177.39 177.53 3gnn h ARG 156 N 0.79 0.41 -0.55 3.23 2.43 -1.92 -1.78 114.38 116.99 3gnn h ARG 156 Ca -0.07 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.79 3gnn h ARG 156 Cb 1.30 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3gnn h ARG 156 CO 0.03 0.77 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.13 3gnn h LEU 157 N 0.06 0.98 -0.64 3.80 3.38 -1.96 -1.65 115.31 119.28 3gnn h LEU 157 Ca 0.03 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.80 3gnn h LEU 157 Cb 0.68 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3gnn h LEU 157 CO 0.04 1.07 0.27 0.00 0.09 0.00 0.00 178.44 179.91 3gnn h ALA 158 N 1.02 0.86 -0.45 1.53 0.00 -1.90 -1.78 119.26 118.54 3gnn h ALA 158 Ca 0.15 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3gnn h ALA 158 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gnn h ALA 158 CO 0.04 -0.15 -0.25 0.37 0.00 0.00 0.00 179.25 179.26 3gnn h GLN 159 N 0.47 0.95 -0.29 0.00 4.15 -1.19 -1.69 115.11 117.52 3gnn h GLN 159 Ca 0.32 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 3gnn h GLN 159 Cb 0.38 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3gnn h GLN 159 CO -0.30 1.09 0.17 -0.22 -1.93 0.00 0.00 178.83 177.65 3gnn h LYS 160 N 0.81 0.39 0.04 1.69 3.64 -1.04 -0.11 116.57 122.00 3gnn h LYS 160 Ca 0.10 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gnn h LYS 160 Cb 0.83 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3gnn h LYS 160 CO 0.07 0.31 -0.21 -0.92 -2.27 0.00 0.00 179.45 176.43 3gnn h TYR 161 N 0.37 -0.57 -0.64 1.91 3.20 -1.35 -1.39 116.97 118.50 3gnn h TYR 161 Ca 0.10 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.10 3gnn h TYR 161 Cb 0.02 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.45 3gnn h TYR 161 CO -0.04 -0.30 0.21 0.00 -1.64 0.00 0.00 178.16 176.39 3gnn h ALA 162 N 0.49 0.82 -0.52 1.82 0.00 -1.10 -0.00 119.26 120.76 3gnn h ALA 162 Ca 0.05 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gnn h ALA 162 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gnn h ALA 162 CO -0.17 -0.23 0.02 0.28 0.00 0.00 0.00 179.25 179.15 3gnn h VAL 163 N 0.37 1.25 -0.01 0.00 2.07 -0.87 -1.58 116.25 117.48 3gnn h VAL 163 Ca 0.33 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3gnn h VAL 163 Cb 0.46 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3gnn h VAL 163 CO -0.36 0.36 -0.00 0.03 0.02 0.00 0.00 177.57 177.63 3gnn h ARG 164 N 0.81 0.01 -0.21 1.57 2.47 -0.51 -0.33 114.38 118.19 3gnn h ARG 164 Ca 0.16 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.93 3gnn h ARG 164 Cb 0.45 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 3gnn h ARG 164 CO 0.02 0.35 0.21 0.28 0.56 0.00 0.00 179.97 181.39 3gnn h VAL 165 N -0.33 0.52 -0.00 2.04 2.07 -0.87 -0.58 116.25 119.10 3gnn h VAL 165 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gnn h VAL 165 Cb 0.35 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3gnn h VAL 165 CO 0.00 0.00 -0.02 0.61 0.02 0.00 0.00 177.57 178.18 3gnn n GLY 166 N -1.43 -0.76 0.00 2.17 0.00 -0.61 -4.78 105.19 99.78 3gnn n GLY 166 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3gnn n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnn n GLY 167 N 1.11 0.66 3.76 -0.02 0.00 -0.23 -3.29 105.19 107.19 3gnn n GLY 167 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3gnn n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnn s GLY 168 N -0.90 1.80 0.00 -0.02 0.00 -0.18 -4.88 107.32 103.14 3gnn s GLY 168 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3gnn s GLY 168 CO 0.00 0.71 0.00 0.00 0.00 0.00 0.00 173.10 173.81 3gnn n ALA 169 N -3.31 0.00 -1.72 3.20 0.00 -0.54 -4.55 120.51 113.60 3gnn n ALA 169 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3gnn n ALA 169 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 3gnn n ALA 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gnn n VAL 208 N 0.00 3.62 -4.60 0.00 0.31 -1.26 -4.63 118.33 111.77 3gnn n VAL 208 Ca 0.00 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.60 3gnn n VAL 208 Cb 0.00 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 31.17 3gnn n VAL 208 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3gnn s GLN 209 N -2.77 1.34 -0.25 5.55 0.74 -1.26 -4.10 119.66 118.91 3gnn s GLN 209 Ca 0.70 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.56 3gnn s GLN 209 Cb -0.43 -1.21 -0.05 0.00 1.10 0.00 0.00 33.01 32.42 3gnn s GLN 209 CO 0.50 0.18 0.16 0.96 -0.55 0.00 0.00 175.29 176.55 3gnn s ILE 210 N 0.11 5.31 -0.46 -2.34 -5.25 -0.92 -4.91 121.20 112.74 3gnn s ILE 210 Ca -0.03 0.16 -0.25 0.00 -0.99 0.00 0.00 60.65 59.54 3gnn s ILE 210 Cb -0.10 -3.49 0.03 0.00 2.95 0.00 0.00 42.46 41.85 3gnn s ILE 210 CO 0.01 0.32 0.91 -0.70 -1.79 0.00 0.00 174.94 173.69 3gnn s GLU 211 N 1.27 3.52 0.03 0.37 2.12 -1.26 -1.87 118.70 122.88 3gnn s GLU 211 Ca 0.07 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.55 3gnn s GLU 211 Cb -0.14 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 3gnn s GLU 211 CO 0.06 -1.21 0.07 0.14 -0.54 0.00 0.00 175.26 173.78 3gnn s VAL 212 N 3.71 4.56 -0.13 3.70 -7.23 -0.85 -4.98 120.40 119.17 3gnn s VAL 212 Ca 0.36 -0.59 0.17 0.00 -1.81 0.00 0.00 61.98 60.11 3gnn s VAL 212 Cb -0.10 -3.12 -0.24 0.00 0.56 0.00 0.00 36.38 33.47 3gnn s VAL 212 CO 0.26 0.26 0.36 1.21 -0.31 0.00 0.00 175.10 176.88 3gnn n GLU 213 N 0.91 0.66 -3.68 4.82 4.07 -1.26 -2.16 120.64 124.00 3gnn n GLU 213 Ca -0.11 0.09 -0.12 0.00 -0.06 0.00 0.00 57.16 56.96 3gnn n GLU 213 Cb 0.52 -1.63 -0.06 0.00 -0.06 0.00 0.00 31.44 30.21 3gnn n GLU 213 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3gnn s THR 214 N -2.64 0.06 0.43 6.31 -1.32 -1.26 -4.75 115.64 112.46 3gnn s THR 214 Ca -0.07 -0.51 0.31 0.00 -1.21 0.00 0.00 61.69 60.20 3gnn s THR 214 Cb 0.07 -0.97 0.48 0.00 -1.51 0.00 0.00 72.50 70.57 3gnn s THR 214 CO 0.83 -0.28 1.58 0.25 -2.21 0.00 0.00 174.62 174.80 3gnn h LEU 215 N 2.98 0.22 0.81 9.08 7.12 -1.96 0.95 115.31 134.52 3gnn h LEU 215 Ca -0.32 0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.83 3gnn h LEU 215 Cb 1.21 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 3gnn h LEU 215 CO 0.44 -0.28 -0.43 0.44 -0.13 0.00 0.00 178.44 178.49 3gnn h ASP 216 N 0.02 -1.04 0.04 1.25 5.19 -2.00 -2.44 116.42 117.43 3gnn h ASP 216 Ca 0.87 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 57.33 3gnn h ASP 216 Cb 2.72 0.28 -0.00 0.00 0.18 0.00 0.00 39.33 42.52 3gnn h ASP 216 CO -0.51 -0.70 -0.00 -0.61 -3.12 0.00 0.00 179.24 174.31 3gnn h GLN 217 N -1.14 0.00 -0.03 3.56 4.15 0.30 -0.61 115.11 121.35 3gnn h GLN 217 Ca -0.11 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 3gnn h GLN 217 Cb 0.88 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3gnn h GLN 217 CO 0.16 0.00 -0.28 1.25 -1.93 0.00 0.00 178.83 178.03 3gnn h LEU 218 N 0.00 0.29 -1.08 -2.39 6.46 -0.26 -2.67 115.31 115.66 3gnn h LEU 218 Ca -0.00 -0.72 -0.07 0.00 -0.12 0.00 0.00 57.88 56.98 3gnn h LEU 218 Cb 0.02 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3gnn h LEU 218 CO 0.00 0.97 -0.09 0.03 -0.62 0.00 0.00 178.44 178.73 3gnn h ARG 219 N -0.35 0.55 -0.20 1.25 3.08 -0.62 -0.50 114.38 117.59 3gnn h ARG 219 Ca -0.03 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3gnn h ARG 219 Cb 0.99 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3gnn h ARG 219 CO 0.06 0.64 0.00 1.15 -1.07 0.00 0.00 179.97 180.75 3gnn h THR 220 N 0.51 1.25 -0.72 2.04 2.02 -1.60 -2.34 112.91 114.07 3gnn h THR 220 Ca 0.10 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.47 3gnn h THR 220 Cb 0.47 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3gnn h THR 220 CO 0.03 0.26 0.47 0.00 0.37 0.00 0.00 175.52 176.65 3gnn h ALA 221 N 0.79 1.65 0.00 6.16 0.00 -1.03 0.32 119.26 127.15 3gnn h ALA 221 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gnn h ALA 221 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gnn h ALA 221 CO 0.01 0.25 -0.12 -0.07 0.00 0.00 0.00 179.25 179.32 3gnn h LEU 222 N 0.80 0.00 -0.60 0.00 3.38 -1.11 -3.09 115.31 114.68 3gnn h LEU 222 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3gnn h LEU 222 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gnn h LEU 222 CO -0.09 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3gnn n ALA 223 N -2.14 2.60 -0.98 1.53 0.00 0.11 -1.76 120.51 119.87 3gnn n ALA 223 Ca 0.02 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.20 3gnn n ALA 223 Cb 0.50 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.92 3gnn n ALA 223 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3gnn n HIS 224 N -0.24 0.74 -2.79 0.00 1.44 -0.90 -5.02 115.22 108.44 3gnn n HIS 224 Ca 0.19 -0.89 -0.09 0.00 -2.01 0.00 0.00 57.72 54.93 3gnn n HIS 224 Cb 0.25 -0.27 0.04 0.00 0.12 0.00 0.00 29.99 30.12 3gnn n HIS 224 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3gnn n GLY 225 N -0.66 0.22 3.81 -1.39 0.00 -0.72 -5.01 105.19 101.43 3gnn n GLY 225 Ca 0.20 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3gnn n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnn s ALA 226 N -3.14 2.91 -0.26 4.61 0.00 -1.17 -5.01 121.76 119.69 3gnn s ALA 226 Ca 0.13 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 3gnn s ALA 226 Cb -0.06 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.71 3gnn s ALA 226 CO 0.31 -0.32 -0.24 0.54 0.00 0.00 0.00 175.76 176.05 3gnn n ARG 227 N -1.21 0.61 -4.02 0.00 5.12 -1.26 -4.83 116.66 111.06 3gnn n ARG 227 Ca 0.08 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 56.17 3gnn n ARG 227 Cb 0.53 -1.53 -0.11 0.00 -1.16 0.00 0.00 32.46 30.19 3gnn n ARG 227 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3gnn s SER 228 N -7.17 0.42 -0.13 0.55 1.04 -1.25 -4.11 113.70 103.04 3gnn s SER 228 Ca -0.36 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 55.37 3gnn s SER 228 Cb 0.12 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.41 3gnn s SER 228 CO 0.54 -0.36 0.31 -0.69 0.98 0.00 0.00 173.24 174.02 3gnn s VAL 229 N -2.07 -0.10 -0.21 5.02 1.01 -0.41 -2.16 120.40 121.48 3gnn s VAL 229 Ca -0.09 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 3gnn s VAL 229 Cb -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3gnn s VAL 229 CO -0.03 0.06 0.40 -0.22 0.00 0.00 0.00 175.10 175.31 3gnn s LEU 230 N 1.50 4.13 -0.41 3.92 2.96 -0.78 -0.70 118.68 129.30 3gnn s LEU 230 Ca -0.08 0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 54.04 3gnn s LEU 230 Cb -0.10 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3gnn s LEU 230 CO -0.10 -0.10 1.01 -0.76 -1.32 0.00 0.00 176.35 175.08 3gnn s LEU 231 N 1.46 3.88 -0.19 -0.68 1.02 0.19 -2.01 118.68 122.36 3gnn s LEU 231 Ca 0.18 0.52 -0.12 0.00 0.02 0.00 0.00 54.13 54.73 3gnn s LEU 231 Cb -0.15 -3.38 -0.05 0.00 0.02 0.00 0.00 46.19 42.64 3gnn s LEU 231 CO 0.08 -1.02 0.23 -0.62 0.02 0.00 0.00 176.35 175.04 3gnn s ASP 232 N 2.10 6.32 0.50 2.29 2.15 -0.92 -4.16 116.67 124.95 3gnn s ASP 232 Ca 0.42 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.77 3gnn s ASP 232 Cb -0.10 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3gnn s ASP 232 CO 0.24 0.10 0.00 0.59 -0.17 0.00 0.00 175.17 175.93 3gnn n ASN 233 N 3.73 0.00 -1.78 -0.34 4.13 -1.26 -4.71 115.26 115.02 3gnn n ASN 233 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 3gnn n ASN 233 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3gnn n ASN 233 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3gnn n PHE 234 N 0.00 -4.52 -2.93 3.10 3.01 -1.26 -4.79 117.46 110.07 3gnn n PHE 234 Ca 0.00 2.39 -0.32 0.00 1.01 0.00 0.00 57.45 60.53 3gnn n PHE 234 Cb 0.00 -3.52 -0.05 0.00 -0.01 0.00 0.00 39.48 35.90 3gnn n PHE 234 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3gnn s THR 235 N -2.86 4.67 0.34 4.37 2.01 -1.26 -4.92 115.64 117.98 3gnn s THR 235 Ca 0.00 0.92 0.13 0.00 0.31 0.00 0.00 61.69 63.05 3gnn s THR 235 Cb 0.00 -3.66 0.33 0.00 0.01 0.00 0.00 72.50 69.17 3gnn s THR 235 CO 0.00 -0.37 1.67 -0.07 -0.69 0.00 0.00 174.62 175.16 3gnn h LEU 236 N 1.73 0.49 -0.17 4.42 3.38 -2.00 0.33 115.31 123.48 3gnn h LEU 236 Ca -0.48 0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3gnn h LEU 236 Cb 1.18 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3gnn h LEU 236 CO 0.64 -0.12 -0.19 -0.78 0.09 0.00 0.00 178.44 178.08 3gnn h ASP 237 N 0.34 0.47 -0.45 -0.43 3.58 -2.00 -2.87 116.42 115.06 3gnn h ASP 237 Ca 0.71 -0.49 0.07 0.00 0.42 0.00 0.00 57.03 57.75 3gnn h ASP 237 Cb 1.59 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 3gnn h ASP 237 CO -0.60 0.86 0.31 0.24 -2.88 0.00 0.00 179.24 177.17 3gnn h MET 238 N 0.08 0.29 0.22 0.28 2.86 -1.34 0.12 114.93 117.44 3gnn h MET 238 Ca 0.03 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3gnn h MET 238 Cb 0.74 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3gnn h MET 238 CO 0.05 0.19 -0.10 0.52 1.06 0.00 0.00 176.91 178.62 3gnn h MET 239 N 0.30 -0.28 -0.95 1.72 2.86 -1.16 0.15 114.93 117.57 3gnn h MET 239 Ca 0.20 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.97 3gnn h MET 239 Cb 0.43 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 3gnn h MET 239 CO -0.04 0.08 0.61 -0.09 1.06 0.00 0.00 176.91 178.52 3gnn h ARG 240 N -0.71 0.93 0.67 1.72 2.43 -1.21 0.77 114.38 118.98 3gnn h ARG 240 Ca -0.03 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3gnn h ARG 240 Cb 0.49 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3gnn h ARG 240 CO 0.05 0.62 -0.40 0.22 -1.51 0.00 0.00 179.97 178.95 3gnn h ASP 241 N 0.96 -0.99 -0.57 -3.80 3.58 -0.74 -3.10 116.42 111.77 3gnn h ASP 241 Ca 0.45 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.94 3gnn h ASP 241 Cb 0.42 0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 3gnn h ASP 241 CO -0.21 -0.62 0.31 0.00 -2.88 0.00 0.00 179.24 175.84 3gnn h ALA 242 N -0.74 1.44 -0.59 -0.78 0.00 0.14 -1.26 119.26 117.46 3gnn h ALA 242 Ca -0.09 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3gnn h ALA 242 Cb 0.80 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3gnn h ALA 242 CO 0.10 0.46 0.12 0.28 0.00 0.00 0.00 179.25 180.21 3gnn h VAL 243 N 0.82 0.64 -0.08 0.00 2.07 0.43 -1.88 116.25 118.26 3gnn h VAL 243 Ca 0.21 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3gnn h VAL 243 Cb 0.04 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3gnn h VAL 243 CO -0.03 0.05 -0.05 0.03 0.02 0.00 0.00 177.57 177.59 3gnn h ARG 244 N 0.25 0.17 -0.75 1.57 -0.00 -1.17 -1.67 114.38 112.77 3gnn h ARG 244 Ca 0.31 -0.08 0.16 0.00 -0.50 0.00 0.00 59.98 59.87 3gnn h ARG 244 Cb 0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.38 3gnn h ARG 244 CO -0.40 0.56 0.51 0.28 0.00 0.00 0.00 179.97 180.92 3gnn h VAL 245 N -0.23 0.76 0.00 2.04 2.07 -1.25 -3.27 116.25 116.37 3gnn h VAL 245 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3gnn h VAL 245 Cb 0.52 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3gnn h VAL 245 CO 0.01 0.06 -0.20 0.74 0.02 0.00 0.00 177.57 178.21 3gnn h THR 246 N 0.34 0.00 0.00 2.57 2.02 -1.23 -3.47 112.91 113.13 3gnn h THR 246 Ca 0.37 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3gnn h THR 246 Cb 0.96 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3gnn h THR 246 CO -0.11 0.00 0.00 -1.84 0.37 0.00 0.00 175.52 173.94 3gnn n GLU 247 N -4.50 0.00 -4.06 6.66 0.00 -0.64 -4.63 120.64 113.47 3gnn n GLU 247 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.89 3gnn n GLU 247 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.48 3gnn n GLU 247 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3gnn s GLY 248 N 0.00 2.32 -1.11 -1.84 0.00 -1.26 -4.41 107.32 101.02 3gnn s GLY 248 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.65 3gnn s GLY 248 CO 0.00 -1.89 0.00 -0.96 0.00 0.00 0.00 173.10 170.25 3gnn n ARG 249 N -1.28 -0.86 0.00 2.90 1.85 -1.26 -4.99 116.66 113.01 3gnn n ARG 249 Ca -0.01 0.84 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 3gnn n ARG 249 Cb 0.64 -4.83 0.00 0.00 -1.05 0.00 0.00 32.46 27.23 3gnn n ARG 249 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gnn n ALA 250 N 1.19 0.00 -3.67 2.89 0.00 -1.26 -4.45 120.51 115.22 3gnn n ALA 250 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 3gnn n ALA 250 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.83 3gnn n ALA 250 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3gnn n VAL 251 N 0.00 -4.14 -3.68 0.00 3.14 -1.26 -3.89 118.33 108.49 3gnn n VAL 251 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.03 3gnn n VAL 251 Cb 0.00 -3.45 -0.09 0.00 -1.06 0.00 0.00 33.84 29.24 3gnn n VAL 251 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3gnn s LEU 252 N -4.39 4.16 0.02 6.55 1.43 -1.26 -1.28 118.68 123.91 3gnn s LEU 252 Ca 0.08 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3gnn s LEU 252 Cb -0.01 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3gnn s LEU 252 CO 0.88 0.12 -0.24 -0.70 0.23 0.00 0.00 176.35 176.64 3gnn s GLU 253 N 0.72 1.73 -0.16 1.70 2.12 0.12 -1.44 118.70 123.50 3gnn s GLU 253 Ca 0.08 -0.97 0.01 0.00 0.36 0.00 0.00 54.97 54.45 3gnn s GLU 253 Cb -0.12 -1.81 0.01 0.00 0.26 0.00 0.00 34.13 32.47 3gnn s GLU 253 CO 0.02 0.48 -0.18 0.08 -0.54 0.00 0.00 175.26 175.11 3gnn s VAL 254 N -0.71 2.36 -0.25 3.70 1.01 -0.03 0.57 120.40 127.04 3gnn s VAL 254 Ca 0.10 -0.86 0.13 0.00 0.00 0.00 0.00 61.98 61.34 3gnn s VAL 254 Cb -0.09 -1.98 0.63 0.00 0.00 0.00 0.00 36.38 34.93 3gnn s VAL 254 CO 0.01 0.53 1.59 -1.20 0.00 0.00 0.00 175.10 176.03 3gnn n SER 255 N 4.25 4.16 0.00 3.32 7.64 -1.26 -1.64 113.62 130.09 3gnn n SER 255 Ca -0.20 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.48 3gnn n SER 255 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3gnn n SER 255 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gnn n GLY 256 N -0.39 -0.75 3.02 0.23 0.00 -1.26 -4.57 105.19 101.47 3gnn n GLY 256 Ca 0.30 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 3gnn n GLY 256 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnn s GLY 257 N 0.00 2.06 -0.12 -0.02 0.00 -1.26 -4.94 107.32 103.04 3gnn s GLY 257 Ca 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 44.72 41.95 3gnn s GLY 257 CO 0.00 0.97 0.11 0.54 0.00 0.00 0.00 173.10 174.72 3gnn s VAL 258 N 0.68 5.26 0.23 1.40 0.11 -1.26 -4.89 120.40 121.92 3gnn s VAL 258 Ca 0.12 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.06 3gnn s VAL 258 Cb -0.21 -3.29 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 3gnn s VAL 258 CO -0.06 0.60 0.79 0.54 -3.33 0.00 0.00 175.10 173.64 3gnn s ASN 259 N -0.86 -0.26 0.52 3.54 2.20 -1.26 -4.42 114.94 114.39 3gnn s ASN 259 Ca 0.14 -0.49 0.31 0.00 -0.94 0.00 0.00 52.86 51.88 3gnn s ASN 259 Cb -0.12 0.64 1.45 0.00 -2.00 0.00 0.00 41.25 41.22 3gnn s ASN 259 CO 0.03 -1.17 1.86 2.19 -2.94 0.00 0.00 177.10 177.08 3gnn h PHE 260 N 2.00 0.08 0.06 1.54 -5.15 -1.93 -1.86 116.94 111.68 3gnn h PHE 260 Ca -0.22 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.55 3gnn h PHE 260 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3gnn h PHE 260 CO 0.40 0.01 -0.03 -0.44 -2.00 0.00 0.00 178.31 176.25 3gnn h ASP 261 N 0.05 -0.07 0.00 -0.68 3.32 -1.99 -3.38 116.42 113.67 3gnn h ASP 261 Ca 0.47 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3gnn h ASP 261 Cb 1.78 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.34 3gnn h ASP 261 CO -0.03 0.63 0.00 0.35 -1.72 0.00 0.00 179.24 178.46 3gnn n THR 262 N -4.78 0.00 -0.01 0.35 -2.24 -0.71 -4.29 114.28 102.58 3gnn n THR 262 Ca -0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3gnn n THR 262 Cb 0.31 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 67.84 3gnn n THR 262 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3gnn n VAL 263 N -1.00 1.68 0.18 2.28 0.31 -1.12 -1.97 118.33 118.71 3gnn n VAL 263 Ca 0.21 -0.73 -0.17 0.00 -0.01 0.00 0.00 64.34 63.64 3gnn n VAL 263 Cb 0.10 -1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 31.57 3gnn n VAL 263 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3gnn h ARG 264 N 0.03 -0.83 -0.51 5.55 3.08 -1.85 0.30 114.38 120.16 3gnn h ARG 264 Ca -0.37 0.06 0.10 0.00 0.07 0.00 0.00 59.98 59.84 3gnn h ARG 264 Cb 2.03 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 32.18 3gnn h ARG 264 CO 0.08 -0.55 -0.06 0.00 -1.07 0.00 0.00 179.97 178.36 3gnn h ALA 265 N -0.68 0.42 -0.48 0.04 0.00 -1.82 0.48 119.26 117.21 3gnn h ALA 265 Ca -0.03 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3gnn h ALA 265 Cb 0.81 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3gnn h ALA 265 CO -0.20 -0.42 -0.06 0.82 0.00 0.00 0.00 179.25 179.39 3gnn h ILE 266 N 0.06 1.26 -0.05 0.00 2.04 -1.26 -2.09 117.51 117.47 3gnn h ILE 266 Ca 0.25 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3gnn h ILE 266 Cb 0.39 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3gnn h ILE 266 CO -0.48 0.39 0.00 0.00 0.00 0.00 0.00 178.15 178.07 3gnn h ALA 267 N 1.16 0.06 -0.97 1.87 0.00 0.13 -3.24 119.26 118.27 3gnn h ALA 267 Ca 0.14 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 55.20 3gnn h ALA 267 Cb 0.55 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.14 3gnn h ALA 267 CO 0.03 -0.29 0.19 1.49 0.00 0.00 0.00 179.25 180.67 3gnn h GLU 268 N -0.19 0.04 -1.09 0.00 4.57 0.54 -0.80 114.58 117.65 3gnn h GLU 268 Ca 0.01 -0.00 0.32 0.00 -1.18 0.00 0.00 59.36 58.51 3gnn h GLU 268 Cb 0.29 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3gnn h GLU 268 CO 0.00 0.03 1.01 1.15 -1.18 0.00 0.00 179.01 180.02 3gnn h THR 269 N 0.04 0.16 0.00 0.32 2.02 -1.43 -3.45 112.91 110.58 3gnn h THR 269 Ca 0.65 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.83 3gnn h THR 269 Cb 1.45 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3gnn h THR 269 CO -0.84 0.00 0.00 0.61 0.37 0.00 0.00 175.52 175.66 3gnn n GLY 270 N -1.71 1.48 3.37 2.16 0.00 -0.31 -4.37 105.19 105.82 3gnn n GLY 270 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3gnn n GLY 270 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gnn n VAL 271 N -1.18 0.00 -0.11 1.61 0.24 -1.26 -4.90 118.33 112.73 3gnn n VAL 271 Ca 0.00 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.34 61.83 3gnn n VAL 271 Cb 0.00 -0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 31.65 3gnn n VAL 271 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3gnn n ASP 272 N -1.30 1.94 -3.95 -1.34 8.00 -0.99 -4.05 116.55 114.87 3gnn n ASP 272 Ca 0.05 0.31 -0.25 0.00 0.71 0.00 0.00 54.79 55.61 3gnn n ASP 272 Cb 0.56 -0.84 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 3gnn n ASP 272 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gnn s ARG 273 N -2.46 1.47 -0.17 -1.24 1.81 -0.52 -0.61 118.95 117.23 3gnn s ARG 273 Ca -0.33 -0.28 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 3gnn s ARG 273 Cb 0.10 -1.39 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 3gnn s ARG 273 CO 0.58 -0.12 -0.07 0.42 -0.68 0.00 0.00 175.30 175.42 3gnn s ILE 274 N 1.18 3.35 0.07 1.52 1.01 -0.79 -0.85 121.20 126.69 3gnn s ILE 274 Ca -0.05 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3gnn s ILE 274 Cb -0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3gnn s ILE 274 CO -0.02 0.48 0.03 -0.94 0.00 0.00 0.00 174.94 174.49 3gnn s SER 275 N 0.83 5.24 0.18 3.58 1.04 -0.65 -0.83 113.70 123.09 3gnn s SER 275 Ca -0.02 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.27 3gnn s SER 275 Cb -0.15 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 3gnn s SER 275 CO 0.01 0.20 0.23 0.27 0.98 0.00 0.00 173.24 174.93 3gnn s ILE 276 N -1.29 0.05 0.06 -1.02 -5.25 0.04 -4.72 121.20 109.06 3gnn s ILE 276 Ca 0.26 -1.62 -0.08 0.00 -0.99 0.00 0.00 60.65 58.22 3gnn s ILE 276 Cb -0.12 -2.06 0.03 0.00 2.95 0.00 0.00 42.46 43.26 3gnn s ILE 276 CO 0.18 -0.24 0.37 0.61 -1.79 0.00 0.00 174.94 174.07 3gnn n GLY 277 N -0.22 0.99 0.26 6.27 0.00 -1.26 -0.87 105.19 110.35 3gnn n GLY 277 Ca -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.03 3gnn n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnn h ALA 278 N 2.00 1.70 -0.19 4.61 0.00 -1.92 -1.86 119.26 123.60 3gnn h ALA 278 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gnn h ALA 278 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gnn h ALA 278 CO 0.12 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3gnn n LEU 279 N -4.39 1.03 -4.86 0.00 4.32 -1.26 -4.80 117.00 107.04 3gnn n LEU 279 Ca -0.01 -0.51 -0.34 0.00 -0.02 0.00 0.00 56.01 55.13 3gnn n LEU 279 Cb 0.18 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 3gnn n LEU 279 CO 0.36 0.26 0.22 -0.89 -1.22 0.00 0.00 177.39 176.12 3gnn s THR 280 N -1.75 4.89 0.41 -5.08 2.01 -0.70 -5.05 115.64 110.38 3gnn s THR 280 Ca 0.13 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.57 3gnn s THR 280 Cb 0.07 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3gnn s THR 280 CO 0.09 0.11 1.10 -0.75 -0.69 0.00 0.00 174.62 174.48 3gnn s LYS 281 N -2.31 4.06 0.00 4.92 2.36 -1.26 -2.78 119.74 124.72 3gnn s LYS 281 Ca 0.42 1.63 0.00 0.00 -2.55 0.00 0.00 55.97 55.46 3gnn s LYS 281 Cb -0.13 -2.54 0.00 0.00 -1.05 0.00 0.00 37.83 34.11 3gnn s LYS 281 CO 0.20 -0.26 0.00 -0.25 1.55 0.00 0.00 175.35 176.59 3gnn n ASP 282 N -0.13 -2.14 -4.37 1.43 10.43 -1.26 -4.65 116.55 115.86 3gnn n ASP 282 Ca 0.05 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.04 3gnn n ASP 282 Cb 0.49 -1.10 -0.12 0.00 1.84 0.00 0.00 41.12 42.23 3gnn n ASP 282 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3gnn s VAL 283 N -2.34 4.11 0.16 2.53 -7.23 -1.12 -4.87 120.40 111.65 3gnn s VAL 283 Ca 0.00 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 3gnn s VAL 283 Cb 0.00 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 3gnn s VAL 283 CO 0.00 0.08 -0.00 0.00 -0.31 0.00 0.00 175.10 174.87 3gnn s ARG 284 N 1.53 1.07 0.51 4.82 1.70 -1.26 -4.78 118.95 122.54 3gnn s ARG 284 Ca 0.03 -1.51 -0.23 0.00 -0.47 0.00 0.00 55.73 53.55 3gnn s ARG 284 Cb -0.17 -0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 33.91 3gnn s ARG 284 CO 0.03 -0.12 1.37 0.00 -1.08 0.00 0.00 175.30 175.50 3gnn n ALA 285 N -0.21 1.70 -2.27 7.88 0.00 -1.26 -4.07 120.51 122.27 3gnn n ALA 285 Ca -0.07 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 3gnn n ALA 285 Cb 0.63 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 3gnn n ALA 285 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gnn s THR 286 N -1.26 4.64 -0.01 0.00 2.01 0.23 -4.77 115.64 116.48 3gnn s THR 286 Ca 0.68 1.59 -0.30 0.00 0.31 0.00 0.00 61.69 63.97 3gnn s THR 286 Cb -0.43 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 3gnn s THR 286 CO 0.52 0.43 1.26 -0.62 -0.69 0.00 0.00 174.62 175.52 3gnn s ASP 287 N -0.46 6.99 0.10 3.53 2.15 -1.26 -4.44 116.67 123.28 3gnn s ASP 287 Ca 0.36 1.96 0.04 0.00 0.43 0.00 0.00 52.55 55.35 3gnn s ASP 287 Cb -0.21 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 3gnn s ASP 287 CO 0.23 -0.60 -0.11 -0.31 -0.17 0.00 0.00 175.17 174.21 3gnn s TYR 288 N 1.97 1.14 0.34 -5.34 2.02 -1.26 -1.04 117.35 115.17 3gnn s TYR 288 Ca 0.59 -0.62 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 3gnn s TYR 288 Cb -0.28 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.60 3gnn s TYR 288 CO 0.25 0.04 0.06 -1.54 -1.57 0.00 0.00 175.55 172.79 3gnn s SER 289 N -2.39 2.50 -0.16 2.29 1.04 -0.54 -4.91 113.70 111.52 3gnn s SER 289 Ca 0.05 -1.39 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 3gnn s SER 289 Cb -0.04 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.09 3gnn s SER 289 CO 0.01 -0.62 0.23 -0.32 0.98 0.00 0.00 173.24 173.53 3gnn s MET 290 N -3.87 0.16 0.00 4.02 1.75 -1.26 -0.59 119.30 119.51 3gnn s MET 290 Ca 0.36 0.44 0.22 0.00 -1.25 0.00 0.00 55.69 55.46 3gnn s MET 290 Cb 0.08 -0.68 0.17 0.00 2.84 0.00 0.00 34.83 37.25 3gnn s MET 290 CO 0.16 -0.49 1.20 2.89 -0.65 0.00 0.00 175.02 178.12