#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnl s LEU 12 N 0.00 3.53 0.86 1.08 1.43 -1.26 -5.04 118.68 119.28 3gnl s LEU 12 Ca 0.00 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 54.70 3gnl s LEU 12 Cb 0.00 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.71 3gnl s LEU 12 CO 0.00 -1.00 0.51 -1.54 0.23 0.00 0.00 176.35 174.56 3gnl n SER 13 N -1.92 -1.52 -0.19 2.29 3.41 -1.26 -4.69 113.62 109.73 3gnl n SER 13 Ca 0.08 0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 59.11 3gnl n SER 13 Cb 0.53 -1.24 0.20 0.00 -0.26 0.00 0.00 64.21 63.44 3gnl n SER 13 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gnl h LYS 14 N -1.11 0.95 0.43 4.33 1.79 -1.98 0.13 116.57 121.11 3gnl h LYS 14 Ca -0.44 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 57.88 3gnl h LYS 14 Cb 1.31 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3gnl h LYS 14 CO 0.38 0.74 -0.26 -0.09 -1.08 0.00 0.00 179.45 179.15 3gnl h ARG 15 N 0.94 -0.63 -0.02 3.15 2.43 -1.95 -1.44 114.38 116.86 3gnl h ARG 15 Ca 0.23 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3gnl h ARG 15 Cb 0.11 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3gnl h ARG 15 CO -0.03 -0.42 -0.38 -0.07 -1.51 0.00 0.00 179.97 177.56 3gnl h LEU 16 N -0.65 0.05 -0.82 3.80 3.38 -1.88 -1.68 115.31 117.51 3gnl h LEU 16 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3gnl h LEU 16 Cb 0.53 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3gnl h LEU 16 CO 0.06 0.42 0.21 -0.08 0.09 0.00 0.00 178.44 179.14 3gnl h GLU 17 N 0.04 1.08 -0.31 1.13 4.81 -0.55 0.62 114.58 121.39 3gnl h GLU 17 Ca 0.00 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 3gnl h GLU 17 Cb 0.69 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3gnl h GLU 17 CO 0.05 0.93 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.81 3gnl h LYS 18 N 1.04 0.71 -0.29 1.92 1.63 -0.93 -0.94 116.57 119.71 3gnl h LYS 18 Ca 0.23 -0.35 0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3gnl h LYS 18 Cb 0.31 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3gnl h LYS 18 CO -0.01 0.96 0.09 0.28 -3.45 0.00 0.00 179.45 177.32 3gnl h VAL 19 N 0.47 0.91 0.00 2.00 2.07 -1.12 -2.39 116.25 118.19 3gnl h VAL 19 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3gnl h VAL 19 Cb 0.79 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3gnl h VAL 19 CO 0.06 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 3gnl h ALA 20 N 1.19 1.29 0.00 1.67 0.00 -0.56 -2.78 119.26 120.06 3gnl h ALA 20 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gnl h ALA 20 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gnl h ALA 20 CO -0.14 0.12 0.00 0.66 0.00 0.00 0.00 179.25 179.89 3gnl h SER 21 N 0.00 0.00 -0.24 0.00 4.64 -0.63 -1.30 113.55 116.02 3gnl h SER 21 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gnl h SER 21 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3gnl h SER 21 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 3gnl n TYR 22 N -2.36 0.30 -3.56 4.77 4.01 -1.05 -4.74 117.16 114.54 3gnl n TYR 22 Ca 0.00 -0.15 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 3gnl n TYR 22 Cb 0.15 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 3gnl n TYR 22 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gnl s ILE 23 N -1.70 5.29 0.00 -0.72 1.01 -0.49 -4.93 121.20 119.66 3gnl s ILE 23 Ca 0.35 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.25 3gnl s ILE 23 Cb 0.20 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3gnl s ILE 23 CO 0.29 0.24 0.00 0.35 0.00 0.00 0.00 174.94 175.82 3gnl n THR 24 N 4.98 0.00 -1.63 2.92 -2.24 -1.26 -4.84 114.28 112.21 3gnl n THR 24 Ca -0.13 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 3gnl n THR 24 Cb 0.52 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 3gnl n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gnl n LYS 25 N -2.28 2.56 -4.01 -0.78 5.02 -1.25 -4.65 118.16 112.78 3gnl n LYS 25 Ca 0.00 -2.96 -0.28 0.00 -2.02 0.00 0.00 58.31 53.04 3gnl n LYS 25 Cb 0.21 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 3gnl n LYS 25 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gnl n ASN 26 N -0.06 -0.82 -4.87 4.39 4.05 -0.56 -4.85 115.26 112.55 3gnl n ASN 26 Ca 0.52 -1.08 -0.31 0.00 0.45 0.00 0.00 54.58 54.16 3gnl n ASN 26 Cb 0.42 -2.71 -0.04 0.00 1.23 0.00 0.00 39.78 38.68 3gnl n ASN 26 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3gnl s GLU 27 N -6.72 3.85 -0.33 1.20 2.02 -0.21 -3.57 118.70 114.94 3gnl s GLU 27 Ca 0.08 0.55 -0.22 0.00 0.02 0.00 0.00 54.97 55.41 3gnl s GLU 27 Cb -0.04 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 3gnl s GLU 27 CO 0.91 -0.00 0.70 1.03 0.02 0.00 0.00 175.26 177.92 3gnl s ARG 28 N -3.64 3.83 0.23 1.61 0.52 -1.26 -0.33 118.95 119.91 3gnl s ARG 28 Ca 0.53 0.31 0.11 0.00 -0.52 0.00 0.00 55.73 56.15 3gnl s ARG 28 Cb -0.10 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 3gnl s ARG 28 CO 0.28 -0.69 -0.17 0.96 0.02 0.00 0.00 175.30 175.70 3gnl s ILE 29 N 2.81 2.71 -0.10 1.52 -4.36 -0.06 -0.25 121.20 123.46 3gnl s ILE 29 Ca 0.28 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.59 3gnl s ILE 29 Cb -0.14 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 41.22 3gnl s ILE 29 CO 0.14 -0.25 -0.06 0.00 0.24 0.00 0.00 174.94 175.01 3gnl s ALA 30 N -2.06 1.20 -0.43 2.27 0.00 -0.19 -0.88 121.76 121.68 3gnl s ALA 30 Ca 0.26 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 3gnl s ALA 30 Cb -0.07 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.24 3gnl s ALA 30 CO 0.14 -0.43 0.30 0.34 0.00 0.00 0.00 175.76 176.11 3gnl s ASP 31 N 1.76 5.84 -0.24 0.00 2.15 0.27 -0.58 116.67 125.88 3gnl s ASP 31 Ca 0.05 -1.32 -0.21 0.00 0.43 0.00 0.00 52.55 51.49 3gnl s ASP 31 Cb -0.12 -2.07 -0.02 0.00 -0.30 0.00 0.00 42.92 40.41 3gnl s ASP 31 CO -0.08 -0.54 0.67 -0.63 -0.17 0.00 0.00 175.17 174.42 3gnl s ILE 32 N 1.53 4.96 -0.62 4.11 -1.09 -0.10 -0.54 121.20 129.45 3gnl s ILE 32 Ca 0.03 1.23 -0.03 0.00 -2.23 0.00 0.00 60.65 59.66 3gnl s ILE 32 Cb -0.23 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3gnl s ILE 32 CO 0.05 0.02 0.53 0.61 -1.23 0.00 0.00 174.94 174.92 3gnl n GLY 33 N 4.00 0.16 3.76 6.18 0.00 0.37 -4.27 105.19 115.39 3gnl n GLY 33 Ca 0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3gnl n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gnl s SER 34 N -3.36 6.58 -0.95 1.61 0.15 -0.89 -4.88 113.70 111.95 3gnl s SER 34 Ca 0.16 2.80 -0.23 0.00 0.70 0.00 0.00 55.95 59.38 3gnl s SER 34 Cb -0.07 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.65 3gnl s SER 34 CO 0.35 -0.72 1.38 -0.62 1.20 0.00 0.00 173.24 174.83 3gnl s ASP 35 N 0.03 6.44 -1.76 5.45 -1.08 -1.26 -4.21 116.67 120.29 3gnl s ASP 35 Ca 0.55 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.29 3gnl s ASP 35 Cb -0.43 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.48 3gnl s ASP 35 CO 0.51 -1.54 0.00 1.41 0.52 0.00 0.00 175.17 176.07 3gnl n HIS 36 N 8.77 -0.16 -1.79 -5.34 8.25 -1.26 -1.28 115.22 122.41 3gnl n HIS 36 Ca 0.26 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.52 3gnl n HIS 36 Cb 0.50 -3.01 -0.06 0.00 1.12 0.00 0.00 29.99 28.55 3gnl n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gnl n ALA 37 N 0.97 -0.39 0.02 -1.41 0.00 -1.26 -4.56 120.51 113.88 3gnl n ALA 37 Ca -0.17 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3gnl n ALA 37 Cb 0.56 -1.97 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 3gnl n ALA 37 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3gnl h TYR 38 N 0.00 0.05 -0.30 0.00 0.05 -1.56 -1.28 116.97 113.94 3gnl h TYR 38 Ca -0.42 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.35 3gnl h TYR 38 Cb 1.29 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 3gnl h TYR 38 CO 0.56 0.10 0.13 1.25 -1.05 0.00 0.00 178.16 179.15 3gnl h LEU 39 N -0.02 0.40 -0.69 3.88 6.46 -1.91 -0.22 115.31 123.21 3gnl h LEU 39 Ca 0.01 -0.15 0.09 0.00 -0.12 0.00 0.00 57.88 57.71 3gnl h LEU 39 Cb 0.07 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.83 3gnl h LEU 39 CO -0.00 0.44 0.35 -0.65 -0.62 0.00 0.00 178.44 177.96 3gnl h PRO 40 N 0.33 0.58 -0.57 5.25 0.11 -1.93 -0.96 132.00 134.81 3gnl h PRO 40 Ca 0.10 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3gnl h PRO 40 Cb 0.16 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3gnl h PRO 40 CO -0.01 0.38 0.12 0.00 -0.21 0.00 0.00 178.00 178.28 3gnl h PHE 42 N 0.83 0.60 0.02 0.00 3.57 -0.52 -0.92 116.94 120.52 3gnl h PHE 42 Ca 0.18 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.46 3gnl h PHE 42 Cb 0.38 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3gnl h PHE 42 CO 0.03 0.43 -0.98 0.00 -2.23 0.00 0.00 178.31 175.56 3gnl h ALA 43 N 1.11 0.40 -0.42 2.41 0.00 -0.99 -2.14 119.26 119.63 3gnl h ALA 43 Ca 0.16 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 3gnl h ALA 43 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gnl h ALA 43 CO -0.03 1.12 -0.10 0.28 0.00 0.00 0.00 179.25 180.53 3gnl h VAL 44 N 0.02 1.27 -0.23 0.00 2.07 -0.86 -0.77 116.25 117.76 3gnl h VAL 44 Ca -0.03 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 3gnl h VAL 44 Cb 1.69 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3gnl h VAL 44 CO 0.14 0.40 -0.27 0.11 0.02 0.00 0.00 177.57 177.97 3gnl h LYS 45 N 0.63 0.44 -0.17 1.57 1.57 -0.96 -2.24 116.57 117.40 3gnl h LYS 45 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gnl h LYS 45 Cb 0.62 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gnl h LYS 45 CO 0.04 0.67 0.00 0.27 -0.57 0.00 0.00 179.45 179.86 3gnl n ASN 46 N -4.12 1.87 -0.24 0.86 0.23 -0.82 -4.94 115.26 108.10 3gnl n ASN 46 Ca -0.01 -1.72 -0.03 0.00 -0.53 0.00 0.00 54.58 52.29 3gnl n ASN 46 Cb 0.41 -0.11 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 3gnl n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gnl n GLN 47 N 0.46 -1.18 0.20 -3.83 6.02 -0.84 -4.86 117.38 113.34 3gnl n GLN 47 Ca 0.17 0.47 0.08 0.00 -0.01 0.00 0.00 57.00 57.70 3gnl n GLN 47 Cb 0.37 -4.44 0.39 0.00 1.02 0.00 0.00 30.24 27.58 3gnl n GLN 47 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3gnl h THR 48 N 0.00 0.70 -3.88 5.09 1.35 -1.61 -3.29 112.91 111.27 3gnl h THR 48 Ca -0.06 -1.32 -0.68 0.00 -0.55 0.00 0.00 66.41 63.79 3gnl h THR 48 Cb 0.68 1.85 -0.21 0.00 -1.73 0.00 0.00 68.15 68.75 3gnl h THR 48 CO 0.09 0.29 -0.77 0.00 -0.25 0.00 0.00 175.52 174.88 3gnl s ALA 49 N -3.61 2.72 -0.13 6.62 0.00 -0.37 -1.04 121.76 125.95 3gnl s ALA 49 Ca 0.00 -1.11 0.20 0.00 0.00 0.00 0.00 51.96 51.05 3gnl s ALA 49 Cb 0.10 -0.88 -0.19 0.00 0.00 0.00 0.00 23.12 22.15 3gnl s ALA 49 CO 0.66 0.58 0.62 -1.13 0.00 0.00 0.00 175.76 176.50 3gnl n SER 50 N 1.67 0.43 -3.56 0.00 3.41 0.56 -4.12 113.62 112.02 3gnl n SER 50 Ca -0.16 0.18 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 3gnl n SER 50 Cb 0.52 0.95 -0.06 0.00 -0.26 0.00 0.00 64.21 65.36 3gnl n SER 50 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gnl s PHE 51 N -3.12 -0.69 -0.02 7.33 5.36 -1.22 -4.90 117.98 120.71 3gnl s PHE 51 Ca -0.05 1.39 -0.03 0.00 -0.96 0.00 0.00 56.93 57.28 3gnl s PHE 51 Cb 0.10 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3gnl s PHE 51 CO 0.84 -0.52 0.07 0.00 -1.46 0.00 0.00 175.22 174.15 3gnl s ALA 52 N -0.65 -0.17 -0.14 11.12 0.00 -0.36 -0.88 121.76 130.68 3gnl s ALA 52 Ca -0.07 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 3gnl s ALA 52 Cb -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3gnl s ALA 52 CO 0.07 -0.05 0.28 0.42 0.00 0.00 0.00 175.76 176.47 3gnl s ILE 53 N -0.15 5.31 -0.34 0.00 1.01 -0.06 -0.85 121.20 126.12 3gnl s ILE 53 Ca -0.02 0.52 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 3gnl s ILE 53 Cb -0.02 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3gnl s ILE 53 CO 0.00 0.43 0.13 0.00 0.00 0.00 0.00 174.94 175.50 3gnl s ALA 54 N 0.17 3.11 -0.05 9.38 0.00 -0.24 -0.56 121.76 133.57 3gnl s ALA 54 Ca 0.16 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 3gnl s ALA 54 Cb -0.13 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3gnl s ALA 54 CO 0.04 -1.28 0.30 0.20 0.00 0.00 0.00 175.76 175.02 3gnl s GLY 55 N 1.46 2.34 -0.01 0.00 0.00 0.30 -1.00 107.32 110.42 3gnl s GLY 55 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3gnl s GLY 55 CO 0.04 -0.07 -0.02 -0.54 0.00 0.00 0.00 173.10 172.51 3gnl s GLU 56 N -1.04 0.25 0.17 2.90 0.41 -0.19 -0.48 118.70 120.72 3gnl s GLU 56 Ca 0.20 -0.03 0.13 0.00 -0.41 0.00 0.00 54.97 54.85 3gnl s GLU 56 Cb -0.15 -0.31 -0.08 0.00 -1.78 0.00 0.00 34.13 31.81 3gnl s GLU 56 CO 0.09 -0.01 1.21 -0.24 -0.49 0.00 0.00 175.26 175.83 3gnl h VAL 57 N 5.51 1.03 -3.83 2.63 3.04 -1.86 -0.52 116.25 122.25 3gnl h VAL 57 Ca -0.32 -2.55 -0.24 0.00 -1.01 0.00 0.00 66.70 62.57 3gnl h VAL 57 Cb 1.17 2.47 -0.16 0.00 -2.01 0.00 0.00 31.29 32.76 3gnl h VAL 57 CO 0.50 0.59 -0.71 0.68 -1.01 0.00 0.00 177.57 177.62 3gnl s VAL 58 N -2.85 0.68 0.50 1.51 -7.23 -1.26 -4.51 120.40 107.23 3gnl s VAL 58 Ca 0.01 -1.76 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 3gnl s VAL 58 Cb 0.08 -1.47 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 3gnl s VAL 58 CO 0.79 -0.76 0.85 0.47 -0.31 0.00 0.00 175.10 176.13 3gnl n ASP 59 N 0.27 0.44 0.00 4.85 8.00 -1.26 -2.35 116.55 126.50 3gnl n ASP 59 Ca -0.14 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.26 3gnl n ASP 59 Cb 0.59 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3gnl n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gnl n GLY 60 N 1.40 1.61 0.26 0.44 0.00 -1.26 -4.66 105.19 102.97 3gnl n GLY 60 Ca 0.11 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3gnl n GLY 60 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gnl h PRO 61 N 0.00 0.00 0.77 1.61 0.11 -1.99 -1.48 132.00 131.02 3gnl h PRO 61 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3gnl h PRO 61 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gnl h PRO 61 CO 0.00 0.14 -0.48 0.35 -0.21 0.00 0.00 178.00 177.80 3gnl h PHE 62 N 0.00 -1.27 -0.09 0.65 3.57 -1.73 -1.43 116.94 116.64 3gnl h PHE 62 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 3gnl h PHE 62 Cb 0.42 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3gnl h PHE 62 CO 0.00 -0.71 -0.49 1.96 -2.23 0.00 0.00 178.31 176.83 3gnl h GLN 63 N -1.17 0.23 -0.28 1.11 7.50 -1.83 -2.27 115.11 118.39 3gnl h GLN 63 Ca -0.10 -0.13 -0.08 0.00 0.50 0.00 0.00 58.65 58.84 3gnl h GLN 63 Cb 0.94 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.46 3gnl h GLN 63 CO 0.10 0.67 -0.17 0.66 -1.50 0.00 0.00 178.83 178.59 3gnl h SER 64 N 0.18 0.49 -0.44 1.46 4.64 -1.21 0.03 113.55 118.70 3gnl h SER 64 Ca 0.01 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3gnl h SER 64 Cb 0.94 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3gnl h SER 64 CO 0.08 0.68 -0.04 0.00 -0.87 0.00 0.00 176.83 176.68 3gnl h ALA 65 N 1.37 0.60 -0.96 5.18 0.00 -1.11 -2.12 119.26 122.22 3gnl h ALA 65 Ca 0.08 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3gnl h ALA 65 Cb 0.56 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3gnl h ALA 65 CO 0.04 0.43 0.62 1.96 0.00 0.00 0.00 179.25 182.29 3gnl h GLN 66 N 0.64 1.11 -0.70 0.00 4.20 -0.82 -1.18 115.11 118.36 3gnl h GLN 66 Ca 0.12 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3gnl h GLN 66 Cb 0.55 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3gnl h GLN 66 CO 0.03 0.73 0.32 -0.22 -0.67 0.00 0.00 178.83 179.03 3gnl h LYS 67 N 1.14 1.01 -0.41 1.46 3.64 -0.75 -1.45 116.57 121.21 3gnl h LYS 67 Ca 0.41 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3gnl h LYS 67 Cb 0.13 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3gnl h LYS 67 CO -0.16 0.81 0.06 0.37 -2.27 0.00 0.00 179.45 178.26 3gnl h GLN 68 N 0.98 0.68 -0.91 1.90 5.75 -0.97 -0.61 115.11 121.93 3gnl h GLN 68 Ca 0.24 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3gnl h GLN 68 Cb 0.14 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 3gnl h GLN 68 CO -0.03 0.72 0.53 0.28 -2.65 0.00 0.00 178.83 177.69 3gnl h VAL 69 N 0.53 1.25 -0.40 2.39 2.07 -0.95 -1.11 116.25 120.03 3gnl h VAL 69 Ca 0.12 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3gnl h VAL 69 Cb 0.38 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3gnl h VAL 69 CO 0.01 0.27 -0.04 0.03 0.02 0.00 0.00 177.57 177.86 3gnl h ARG 70 N 1.26 0.73 -0.48 1.57 3.08 -1.01 -1.91 114.38 117.61 3gnl h ARG 70 Ca 0.32 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3gnl h ARG 70 Cb -0.02 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 3gnl h ARG 70 CO -0.06 0.84 0.20 0.77 -1.07 0.00 0.00 179.97 180.65 3gnl h SER 71 N 0.55 0.23 0.52 7.04 0.02 -0.84 -1.78 113.55 119.30 3gnl h SER 71 Ca 0.11 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3gnl h SER 71 Cb 0.54 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3gnl h SER 71 CO 0.03 0.17 0.00 -1.20 -1.14 0.00 0.00 176.83 174.69 3gnl n SER 72 N -4.97 0.00 -1.32 3.07 7.64 -0.44 -4.88 113.62 112.71 3gnl n SER 72 Ca 0.04 0.36 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 3gnl n SER 72 Cb 0.17 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3gnl n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gnl n GLY 73 N 0.29 -0.06 0.60 0.23 0.00 -0.67 -4.95 105.19 100.63 3gnl n GLY 73 Ca 0.06 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.73 3gnl n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnl n LEU 74 N -1.68 3.16 0.18 0.99 4.77 -0.77 -4.68 117.00 118.96 3gnl n LEU 74 Ca -0.12 -3.40 0.14 0.00 -0.03 0.00 0.00 56.01 52.60 3gnl n LEU 74 Cb 0.59 -0.52 0.72 0.00 -2.33 0.00 0.00 43.42 41.89 3gnl n LEU 74 CO 0.17 0.97 1.13 0.71 -1.33 0.00 0.00 177.39 179.03 3gnl h THR 75 N 0.83 0.76 0.00 -5.08 1.35 -1.82 -1.00 112.91 107.94 3gnl h THR 75 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3gnl h THR 75 Cb 1.24 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3gnl h THR 75 CO 0.13 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.07 3gnl h GLU 76 N 0.00 0.00 -0.00 4.72 4.39 -1.96 -3.30 114.58 118.43 3gnl h GLU 76 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3gnl h GLU 76 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3gnl h GLU 76 CO -0.00 0.00 -0.27 1.04 -1.16 0.00 0.00 179.01 178.62 3gnl n GLN 77 N -2.88 4.98 -3.90 2.33 6.02 -0.55 -4.97 117.38 118.41 3gnl n GLN 77 Ca 0.03 -0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.73 3gnl n GLN 77 Cb 0.41 -0.78 -0.17 0.00 1.02 0.00 0.00 30.24 30.72 3gnl n GLN 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gnl s ILE 78 N -1.53 1.04 -0.33 5.09 1.01 -0.49 -1.22 121.20 124.77 3gnl s ILE 78 Ca 0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 3gnl s ILE 78 Cb 0.04 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3gnl s ILE 78 CO 0.24 0.28 0.19 -1.81 0.00 0.00 0.00 174.94 173.84 3gnl s ASP 79 N 1.69 5.79 -0.20 3.58 1.01 -0.03 -4.63 116.67 123.88 3gnl s ASP 79 Ca 0.03 -0.50 -0.20 0.00 0.71 0.00 0.00 52.55 52.59 3gnl s ASP 79 Cb -0.14 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3gnl s ASP 79 CO -0.08 -0.22 0.60 -0.69 0.21 0.00 0.00 175.17 174.99 3gnl s VAL 80 N 1.66 5.04 0.04 -1.27 1.01 -1.26 -1.07 120.40 124.54 3gnl s VAL 80 Ca 0.05 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3gnl s VAL 80 Cb -0.17 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3gnl s VAL 80 CO 0.08 0.12 -0.15 -0.13 0.00 0.00 0.00 175.10 175.03 3gnl s ARG 81 N 1.86 0.98 -0.22 2.72 0.52 -0.17 -4.94 118.95 119.70 3gnl s ARG 81 Ca 0.28 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 3gnl s ARG 81 Cb -0.16 -1.00 -0.05 0.00 0.52 0.00 0.00 34.95 34.27 3gnl s ARG 81 CO 0.10 0.25 0.20 0.21 0.02 0.00 0.00 175.30 176.08 3gnl s LYS 82 N -1.13 4.12 0.00 3.54 2.20 -1.26 -1.02 119.74 126.20 3gnl s LYS 82 Ca 0.02 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 3gnl s LYS 82 Cb -0.08 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3gnl s LYS 82 CO 0.01 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3gnl n GLY 83 N 4.03 0.85 3.64 5.54 0.00 -0.20 -4.87 105.19 114.17 3gnl n GLY 83 Ca -0.14 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3gnl n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gnl s ASN 84 N 0.00 6.82 1.98 1.61 3.84 -1.26 -3.48 114.94 124.46 3gnl s ASN 84 Ca 0.00 0.97 0.00 0.00 0.21 0.00 0.00 52.86 54.04 3gnl s ASN 84 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 3gnl s ASN 84 CO 0.00 -0.59 0.00 0.61 -2.79 0.00 0.00 177.10 174.33 3gnl n GLY 85 N 3.84 3.62 0.32 1.21 0.00 -1.26 -1.52 105.19 111.40 3gnl n GLY 85 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3gnl n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnl n LEU 86 N 0.00 0.94 0.31 0.99 4.77 -1.26 -3.84 117.00 118.91 3gnl n LEU 86 Ca 0.00 -0.41 0.21 0.00 -0.03 0.00 0.00 56.01 55.78 3gnl n LEU 86 Cb 0.00 -0.07 1.10 0.00 -2.33 0.00 0.00 43.42 42.11 3gnl n LEU 86 CO 0.00 0.21 1.12 0.00 -1.33 0.00 0.00 177.39 177.39 3gnl h ALA 87 N 3.72 1.00 0.00 -1.18 0.00 -1.61 -1.01 119.26 120.19 3gnl h ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gnl h ALA 87 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gnl h ALA 87 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 3gnl n VAL 88 N -2.95 0.63 -3.52 0.00 0.24 -1.25 -4.72 118.33 106.76 3gnl n VAL 88 Ca -0.03 0.07 -0.38 0.00 -2.04 0.00 0.00 64.34 61.97 3gnl n VAL 88 Cb 0.08 -0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 31.56 3gnl n VAL 88 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gnl s ILE 89 N -3.10 5.13 0.17 1.34 1.01 -0.39 -5.03 121.20 120.34 3gnl s ILE 89 Ca 0.09 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.58 3gnl s ILE 89 Cb 0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3gnl s ILE 89 CO 0.43 0.52 -0.09 -1.61 0.00 0.00 0.00 174.94 174.19 3gnl s GLU 90 N -0.63 2.08 0.30 2.79 0.41 -1.26 -5.00 118.70 117.39 3gnl s GLU 90 Ca 0.22 -1.24 -0.00 0.00 -0.41 0.00 0.00 54.97 53.54 3gnl s GLU 90 Cb -0.16 -2.18 0.50 0.00 -1.78 0.00 0.00 34.13 30.52 3gnl s GLU 90 CO 0.11 0.44 1.91 -0.22 -0.49 0.00 0.00 175.26 177.01 3gnl h LYS 91 N 2.96 1.03 0.00 1.61 3.64 -1.96 -1.07 116.57 122.77 3gnl h LYS 91 Ca -0.47 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3gnl h LYS 91 Cb 1.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3gnl h LYS 91 CO 0.54 0.68 0.00 0.36 -2.27 0.00 0.00 179.45 178.76 3gnl n LYS 92 N -4.48 0.17 0.11 1.90 2.85 -1.26 -1.88 118.16 115.57 3gnl n LYS 92 Ca 0.14 0.47 0.12 0.00 -1.05 0.00 0.00 58.31 57.98 3gnl n LYS 92 Cb 0.18 -1.87 0.46 0.00 -0.65 0.00 0.00 35.03 33.14 3gnl n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3gnl n ASP 93 N -2.21 0.65 -3.89 -5.58 8.00 -0.40 -4.92 116.55 108.19 3gnl n ASP 93 Ca 0.01 0.62 -0.29 0.00 0.71 0.00 0.00 54.79 55.83 3gnl n ASP 93 Cb 0.18 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3gnl n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gnl n ALA 94 N -1.75 -2.24 -1.94 2.24 0.00 -0.79 -4.89 120.51 111.15 3gnl n ALA 94 Ca 0.04 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3gnl n ALA 94 Cb 0.30 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 3gnl n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gnl s ILE 95 N -3.78 3.22 -0.14 0.00 -1.09 -1.26 -4.78 121.20 113.36 3gnl s ILE 95 Ca 0.20 1.07 0.03 0.00 -2.23 0.00 0.00 60.65 59.72 3gnl s ILE 95 Cb -0.08 -3.68 -0.23 0.00 -1.58 0.00 0.00 42.46 36.89 3gnl s ILE 95 CO 0.89 0.19 0.26 0.47 -1.23 0.00 0.00 174.94 175.52 3gnl n ASP 96 N 2.09 1.49 -3.76 3.58 8.00 0.65 -3.76 116.55 124.85 3gnl n ASP 96 Ca 0.04 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 3gnl n ASP 96 Cb 0.43 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.07 3gnl n ASP 96 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gnl s THR 97 N -2.55 -0.06 -0.15 -3.53 2.01 -0.86 -0.49 115.64 110.01 3gnl s THR 97 Ca -0.19 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3gnl s THR 97 Cb 0.07 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 3gnl s THR 97 CO 0.75 0.09 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.06 3gnl s ILE 98 N 1.11 3.52 -0.16 1.82 1.01 -0.45 -1.02 121.20 127.03 3gnl s ILE 98 Ca -0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3gnl s ILE 98 Cb -0.13 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3gnl s ILE 98 CO -0.04 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.71 3gnl s VAL 99 N 0.38 4.18 -0.20 2.92 1.01 0.26 -0.96 120.40 127.99 3gnl s VAL 99 Ca -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3gnl s VAL 99 Cb -0.15 -2.85 0.06 0.00 0.00 0.00 0.00 36.38 33.44 3gnl s VAL 99 CO 0.04 0.48 0.04 -0.63 0.00 0.00 0.00 175.10 175.03 3gnl s ILE 100 N 0.35 0.57 0.15 2.22 1.01 -0.32 -0.92 121.20 124.26 3gnl s ILE 100 Ca -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3gnl s ILE 100 Cb -0.14 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 3gnl s ILE 100 CO 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 174.94 174.66 3gnl s ALA 101 N 1.83 1.41 -0.53 9.38 0.00 -1.26 -0.66 121.76 131.94 3gnl s ALA 101 Ca -0.01 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 3gnl s ALA 101 Cb -0.17 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3gnl s ALA 101 CO -0.09 -0.16 0.46 0.41 0.00 0.00 0.00 175.76 176.38 3gnl n GLY 102 N -0.21 -0.09 3.90 0.00 0.00 -0.75 -4.93 105.19 103.11 3gnl n GLY 102 Ca -0.09 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3gnl n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnl s GLY 104 N -3.27 1.94 0.28 -0.02 0.00 -1.26 -4.91 107.32 100.07 3gnl s GLY 104 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 3gnl s GLY 104 CO 0.37 -0.40 1.94 -1.33 0.00 0.00 0.00 173.10 173.68 3gnl h GLY 105 N 1.85 1.32 1.20 0.20 0.00 -0.94 -1.16 103.07 105.53 3gnl h GLY 105 Ca -0.47 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.29 3gnl h GLY 105 CO 0.67 0.44 -0.01 -0.91 0.00 0.00 0.00 176.54 176.72 3gnl h THR 106 N 1.21 1.26 -0.33 4.70 1.35 -1.80 -0.70 112.91 118.59 3gnl h THR 106 Ca 0.35 -1.12 -0.17 0.00 -0.55 0.00 0.00 66.41 64.92 3gnl h THR 106 Cb -0.07 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3gnl h THR 106 CO -0.09 0.40 -0.45 0.25 -0.25 0.00 0.00 175.52 175.38 3gnl h LEU 107 N 0.88 0.94 -0.40 3.87 5.85 -1.80 -1.12 115.31 123.53 3gnl h LEU 107 Ca 0.16 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3gnl h LEU 107 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gnl h LEU 107 CO 0.03 1.24 0.21 0.40 -0.34 0.00 0.00 178.44 179.98 3gnl h ILE 108 N 0.69 1.16 -0.53 4.05 2.04 -1.04 -1.09 117.51 122.80 3gnl h ILE 108 Ca 0.04 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3gnl h ILE 108 Cb 1.04 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3gnl h ILE 108 CO 0.10 0.17 0.26 -0.09 0.00 0.00 0.00 178.15 178.60 3gnl h ARG 109 N 0.52 0.49 -0.74 2.37 2.43 -0.97 -1.13 114.38 117.35 3gnl h ARG 109 Ca 0.14 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3gnl h ARG 109 Cb 0.08 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3gnl h ARG 109 CO -0.02 0.32 0.44 1.15 -1.51 0.00 0.00 179.97 180.35 3gnl h THR 110 N 0.50 1.00 -0.43 0.20 2.02 -0.86 0.17 112.91 115.51 3gnl h THR 110 Ca 0.24 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3gnl h THR 110 Cb 0.16 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3gnl h THR 110 CO -0.17 0.15 0.18 0.40 0.37 0.00 0.00 175.52 176.44 3gnl h ILE 111 N 0.80 1.20 -0.33 3.11 2.04 -0.61 0.21 117.51 123.93 3gnl h ILE 111 Ca 0.33 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3gnl h ILE 111 Cb 0.18 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3gnl h ILE 111 CO -0.18 0.22 -0.17 -0.07 0.00 0.00 0.00 178.15 177.95 3gnl h LEU 112 N 0.56 0.58 -0.00 1.44 3.38 -0.64 -0.47 115.31 120.16 3gnl h LEU 112 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gnl h LEU 112 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gnl h LEU 112 CO -0.01 0.76 -0.05 -0.33 0.09 0.00 0.00 178.44 178.90 3gnl h GLU 113 N 0.53 0.04 -0.41 1.13 5.08 -0.65 -2.25 114.58 118.04 3gnl h GLU 113 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gnl h GLU 113 Cb 0.59 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3gnl h GLU 113 CO 0.04 0.81 0.15 0.93 -1.00 0.00 0.00 179.01 179.94 3gnl h GLU 114 N -0.72 0.59 -0.78 2.33 5.08 -0.61 -2.69 114.58 117.78 3gnl h GLU 114 Ca -0.01 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 3gnl h GLU 114 Cb 0.82 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.81 3gnl h GLU 114 CO 0.01 0.50 0.32 0.41 -1.00 0.00 0.00 179.01 179.26 3gnl n GLY 115 N -1.14 3.73 0.37 -3.84 0.00 -0.19 -4.72 105.19 99.41 3gnl n GLY 115 Ca 0.03 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.17 3gnl n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnl h ALA 116 N 2.56 1.98 0.00 4.61 0.00 -1.05 0.11 119.26 127.46 3gnl h ALA 116 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3gnl h ALA 116 Cb 2.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.12 3gnl h ALA 116 CO 0.80 -0.17 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 3gnl h ALA 117 N 1.63 1.48 0.00 0.00 0.00 -1.87 -1.71 119.26 118.79 3gnl h ALA 117 Ca 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gnl h ALA 117 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gnl h ALA 117 CO -0.13 0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.92 3gnl n LYS 118 N -3.95 0.34 0.03 0.00 4.76 0.38 -3.01 118.16 116.71 3gnl n LYS 118 Ca -0.02 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 3gnl n LYS 118 Cb 0.23 -1.50 0.50 0.00 -1.84 0.00 0.00 35.03 32.42 3gnl n LYS 118 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gnl n LEU 119 N -1.30 0.24 -4.69 -0.35 4.77 -0.64 -4.75 117.00 110.27 3gnl n LEU 119 Ca 0.12 0.53 -0.44 0.00 -0.03 0.00 0.00 56.01 56.20 3gnl n LEU 119 Cb 0.22 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3gnl n LEU 119 CO 0.21 -0.13 1.38 0.00 -1.33 0.00 0.00 177.39 177.51 3gnl n ALA 120 N -1.59 2.11 0.00 -1.18 0.00 -1.17 -1.40 120.51 117.28 3gnl n ALA 120 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3gnl n ALA 120 Cb 0.32 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3gnl n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gnl n GLY 121 N 3.96 2.85 3.73 0.00 0.00 -1.26 -4.91 105.19 109.56 3gnl n GLY 121 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gnl n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gnl s VAL 122 N -2.90 3.97 -0.99 1.61 1.01 -0.49 -4.68 120.40 117.93 3gnl s VAL 122 Ca 0.00 1.60 0.08 0.00 0.00 0.00 0.00 61.98 63.66 3gnl s VAL 122 Cb 0.00 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.42 3gnl s VAL 122 CO 0.00 0.22 0.74 0.35 0.00 0.00 0.00 175.10 176.41 3gnl n THR 123 N 2.89 0.00 -3.71 3.92 -2.24 0.35 -4.73 114.28 110.76 3gnl n THR 123 Ca 0.05 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 3gnl n THR 123 Cb 0.46 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3gnl n THR 123 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gnl s LYS 124 N -0.74 0.51 -0.06 -0.78 2.20 -0.92 -4.25 119.74 115.70 3gnl s LYS 124 Ca 0.09 0.69 0.05 0.00 -0.36 0.00 0.00 55.97 56.44 3gnl s LYS 124 Cb 0.07 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 3gnl s LYS 124 CO 0.11 -0.09 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.28 3gnl s LEU 125 N 0.52 2.03 -0.26 5.43 1.43 -0.31 -1.34 118.68 126.18 3gnl s LEU 125 Ca -0.02 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3gnl s LEU 125 Cb -0.04 -1.29 0.05 0.00 0.03 0.00 0.00 46.19 44.94 3gnl s LEU 125 CO -0.03 0.21 -0.09 -0.63 0.23 0.00 0.00 176.35 176.04 3gnl s ILE 126 N -0.03 2.36 -0.05 -0.59 1.01 -0.13 -0.73 121.20 123.03 3gnl s ILE 126 Ca -0.06 -1.53 0.06 0.00 0.00 0.00 0.00 60.65 59.11 3gnl s ILE 126 Cb -0.14 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3gnl s ILE 126 CO 0.04 -0.01 -0.22 -0.76 0.00 0.00 0.00 174.94 173.99 3gnl s LEU 127 N 1.15 2.25 -0.42 2.97 1.43 -1.26 -1.17 118.68 123.62 3gnl s LEU 127 Ca -0.07 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3gnl s LEU 127 Cb -0.20 -1.42 0.14 0.00 0.03 0.00 0.00 46.19 44.75 3gnl s LEU 127 CO -0.04 0.28 0.25 -1.58 0.23 0.00 0.00 176.35 175.49 3gnl s GLN 128 N -0.38 1.08 0.19 1.70 -0.44 0.17 -4.36 119.66 117.61 3gnl s GLN 128 Ca 0.03 -1.87 -0.29 0.00 -2.50 0.00 0.00 55.36 50.73 3gnl s GLN 128 Cb -0.12 -1.98 -0.08 0.00 -1.64 0.00 0.00 33.01 29.19 3gnl s GLN 128 CO 0.02 -1.21 0.92 -1.25 0.50 0.00 0.00 175.29 174.27 3gnl s PRO 129 N 0.46 4.77 0.38 1.67 0.04 -1.25 -1.80 135.00 139.26 3gnl s PRO 129 Ca 0.20 1.43 0.24 0.00 0.04 0.00 0.00 61.00 62.91 3gnl s PRO 129 Cb -0.20 -3.31 0.54 0.00 0.04 0.00 0.00 34.50 31.57 3gnl s PRO 129 CO -0.02 0.43 1.68 -0.91 0.04 0.00 0.00 177.00 178.22 3gnl h ASN 130 N 4.62 0.00 -5.04 6.66 2.35 -1.90 -3.39 115.58 118.88 3gnl h ASN 130 Ca -0.45 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.26 3gnl h ASN 130 Cb 1.20 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.44 3gnl h ASN 130 CO 0.69 0.00 0.04 -0.51 -1.65 0.00 0.00 177.43 176.00 3gnl s ILE 131 N -3.20 0.04 -1.35 2.81 2.07 -1.26 -4.99 121.20 115.31 3gnl s ILE 131 Ca 0.08 -0.31 -0.08 0.00 -1.41 0.00 0.00 60.65 58.93 3gnl s ILE 131 Cb 0.07 -1.07 0.01 0.00 0.13 0.00 0.00 42.46 41.61 3gnl s ILE 131 CO 0.64 -0.17 1.13 0.00 -1.91 0.00 0.00 174.94 174.63 3gnl n ALA 132 N -0.11 -1.44 -0.12 1.50 0.00 -1.26 -0.43 120.51 118.65 3gnl n ALA 132 Ca -0.17 0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.70 3gnl n ALA 132 Cb 0.63 -4.88 0.49 0.00 0.00 0.00 0.00 19.45 15.69 3gnl n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gnl h ALA 133 N 0.99 2.02 -0.63 0.00 0.00 -1.94 -1.00 119.26 118.70 3gnl h ALA 133 Ca -0.57 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.48 3gnl h ALA 133 Cb 1.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3gnl h ALA 133 CO 0.56 -0.17 0.44 0.11 0.00 0.00 0.00 179.25 180.19 3gnl h TRP 134 N 0.44 0.17 -0.73 0.00 5.08 -1.87 -0.80 115.95 118.25 3gnl h TRP 134 Ca 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 3gnl h TRP 134 Cb 0.61 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.68 3gnl h TRP 134 CO -0.00 0.07 0.43 1.96 -1.28 0.00 0.00 178.44 179.61 3gnl h GLN 135 N 0.15 1.00 0.00 0.12 1.08 -1.51 -0.95 115.11 115.00 3gnl h GLN 135 Ca 0.30 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.27 3gnl h GLN 135 Cb 0.99 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 3gnl h GLN 135 CO -0.04 0.71 -0.64 -0.07 -0.95 0.00 0.00 178.83 177.84 3gnl h LEU 136 N 1.01 0.00 -0.64 1.46 3.38 -1.28 -1.11 115.31 118.13 3gnl h LEU 136 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 3gnl h LEU 136 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gnl h LEU 136 CO -0.05 0.64 -0.37 0.03 0.09 0.00 0.00 178.44 178.79 3gnl h ARG 137 N 0.00 0.66 -0.44 1.13 3.08 -1.12 0.21 114.38 117.89 3gnl h ARG 137 Ca -0.01 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 3gnl h ARG 137 Cb 1.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3gnl h ARG 137 CO 0.08 0.92 0.13 0.93 -1.07 0.00 0.00 179.97 180.97 3gnl h GLU 138 N 0.55 0.70 -0.82 0.04 5.08 -1.06 -2.16 114.58 116.90 3gnl h GLU 138 Ca 0.05 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3gnl h GLU 138 Cb 0.88 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3gnl h GLU 138 CO 0.08 0.68 0.51 2.35 -1.00 0.00 0.00 179.01 181.63 3gnl h TRP 139 N 0.58 0.95 -0.57 4.33 7.01 -1.00 -1.31 115.95 125.94 3gnl h TRP 139 Ca 0.14 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.21 3gnl h TRP 139 Cb 0.28 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 3gnl h TRP 139 CO 0.01 0.50 0.31 1.03 -2.79 0.00 0.00 178.44 177.51 3gnl h SER 140 N 0.96 0.47 -0.11 2.65 0.87 -0.57 -0.22 113.55 117.59 3gnl h SER 140 Ca 0.35 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 3gnl h SER 140 Cb 0.11 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3gnl h SER 140 CO -0.15 0.32 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.36 3gnl h GLU 141 N 0.60 0.21 -0.57 2.24 4.81 -1.08 -0.93 114.58 119.86 3gnl h GLU 141 Ca 0.25 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3gnl h GLU 141 Cb 0.12 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3gnl h GLU 141 CO -0.15 0.50 0.38 1.96 -0.73 0.00 0.00 179.01 180.97 3gnl h GLN 142 N -0.10 0.48 -0.41 1.92 4.20 -0.82 -2.86 115.11 117.52 3gnl h GLN 142 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gnl h GLN 142 Cb 0.42 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3gnl h GLN 142 CO 0.01 0.32 0.00 0.09 -0.67 0.00 0.00 178.83 178.58 3gnl n ASN 143 N -4.47 3.09 -3.86 1.46 3.02 -0.13 -4.99 115.26 109.37 3gnl n ASN 143 Ca 0.08 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.40 3gnl n ASN 143 Cb 0.27 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3gnl n ASN 143 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gnl n ASN 144 N 0.77 -1.51 -4.54 6.41 3.02 -0.48 -4.88 115.26 114.06 3gnl n ASN 144 Ca 0.14 -0.99 -0.37 0.00 -0.03 0.00 0.00 54.58 53.34 3gnl n ASN 144 Cb 0.46 -3.24 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 3gnl n ASN 144 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3gnl s TRP 145 N -3.81 3.18 0.34 3.10 0.52 -0.49 -1.12 118.94 120.65 3gnl s TRP 145 Ca 0.11 -0.10 -0.28 0.00 0.02 0.00 0.00 56.10 55.85 3gnl s TRP 145 Cb -0.04 -2.27 -0.10 0.00 -1.15 0.00 0.00 33.47 29.91 3gnl s TRP 145 CO 0.87 -0.18 1.21 -1.17 0.02 0.00 0.00 176.95 177.70 3gnl s LEU 146 N 1.46 4.40 -0.35 2.99 2.96 0.30 -4.53 118.68 125.91 3gnl s LEU 146 Ca 0.06 2.48 -0.24 0.00 -0.22 0.00 0.00 54.13 56.21 3gnl s LEU 146 Cb -0.15 -3.75 0.01 0.00 0.50 0.00 0.00 46.19 42.80 3gnl s LEU 146 CO 0.06 -0.47 0.83 -0.63 -1.32 0.00 0.00 176.35 174.83 3gnl s ILE 147 N -1.22 4.70 -0.13 6.68 1.01 -1.26 -1.33 121.20 129.64 3gnl s ILE 147 Ca 0.50 1.06 0.17 0.00 0.00 0.00 0.00 60.65 62.38 3gnl s ILE 147 Cb -0.35 -4.24 -0.23 0.00 0.01 0.00 0.00 42.46 37.65 3gnl s ILE 147 CO 0.46 -0.42 0.41 0.35 0.00 0.00 0.00 174.94 175.73 3gnl n THR 148 N 5.79 1.25 -3.71 2.92 -2.24 0.34 -4.95 114.28 113.69 3gnl n THR 148 Ca 0.05 -0.77 -0.14 0.00 -2.27 0.00 0.00 64.05 60.92 3gnl n THR 148 Cb 0.48 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 3gnl n THR 148 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gnl s SER 149 N -5.58 -0.28 0.04 3.42 0.01 -1.19 -5.01 113.70 105.11 3gnl s SER 149 Ca -0.07 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 3gnl s SER 149 Cb 0.08 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 3gnl s SER 149 CO 0.83 -0.51 0.01 -1.61 0.41 0.00 0.00 173.24 172.36 3gnl s GLU 150 N -1.53 0.54 0.03 12.44 2.02 -1.26 -0.76 118.70 130.18 3gnl s GLU 150 Ca -0.12 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 53.89 3gnl s GLU 150 Cb -0.03 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 3gnl s GLU 150 CO 0.04 -0.11 0.02 0.00 0.02 0.00 0.00 175.26 175.23 3gnl s ALA 151 N -3.04 0.06 -0.02 5.21 0.00 -0.40 -4.79 121.76 118.79 3gnl s ALA 151 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3gnl s ALA 151 Cb 0.02 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3gnl s ALA 151 CO -0.07 -0.23 -0.08 -1.50 0.00 0.00 0.00 175.76 173.88 3gnl s ILE 152 N -2.04 0.69 0.15 0.00 2.07 -1.26 -0.68 121.20 120.13 3gnl s ILE 152 Ca -0.10 -0.31 -0.07 0.00 -1.41 0.00 0.00 60.65 58.76 3gnl s ILE 152 Cb -0.05 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.90 3gnl s ILE 152 CO -0.03 0.22 0.22 -1.48 -1.91 0.00 0.00 174.94 171.96 3gnl s LEU 153 N 0.24 1.22 -0.09 8.50 0.05 -0.22 -4.91 118.68 123.46 3gnl s LEU 153 Ca -0.03 -0.95 0.04 0.00 0.05 0.00 0.00 54.13 53.24 3gnl s LEU 153 Cb -0.08 0.94 -0.00 0.00 -2.05 0.00 0.00 46.19 44.99 3gnl s LEU 153 CO 0.00 -0.84 -0.23 -0.60 -0.55 0.00 0.00 176.35 174.13 3gnl s ARG 154 N -3.98 2.86 -0.07 1.48 3.52 -1.26 -0.30 118.95 121.19 3gnl s ARG 154 Ca 0.18 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3gnl s ARG 154 Cb 0.05 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.26 3gnl s ARG 154 CO -0.00 0.21 0.15 -2.00 -0.81 0.00 0.00 175.30 172.84 3gnl s GLU 155 N 0.26 0.09 -1.45 5.12 2.12 -0.13 -4.88 118.70 119.83 3gnl s GLU 155 Ca -0.16 0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 3gnl s GLU 155 Cb -0.17 -0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.07 3gnl s GLU 155 CO 0.08 -0.17 0.61 -0.25 -0.54 0.00 0.00 175.26 174.99 3gnl n ASP 156 N 4.24 -1.54 -0.57 -1.70 8.00 -1.26 -1.90 116.55 121.83 3gnl n ASP 156 Ca -0.26 -0.93 -0.07 0.00 0.71 0.00 0.00 54.79 54.23 3gnl n ASP 156 Cb 0.52 -3.35 -0.03 0.00 -0.02 0.00 0.00 41.12 38.24 3gnl n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gnl n ASN 157 N -2.93 -4.98 -4.49 -2.24 3.02 -1.26 -5.00 115.26 97.38 3gnl n ASN 157 Ca -0.20 0.18 -0.32 0.00 -0.03 0.00 0.00 54.58 54.21 3gnl n ASN 157 Cb 0.63 -3.13 -0.12 0.00 -0.61 0.00 0.00 39.78 36.55 3gnl n ASN 157 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3gnl s LYS 158 N -2.34 2.30 -0.16 3.52 1.02 -0.80 -5.12 119.74 118.17 3gnl s LYS 158 Ca 0.00 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 3gnl s LYS 158 Cb 0.00 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 3gnl s LYS 158 CO 0.00 0.58 0.29 0.08 -0.92 0.00 0.00 175.35 175.38 3gnl s VAL 159 N -0.87 5.30 -0.03 3.17 1.01 -1.26 -0.96 120.40 126.77 3gnl s VAL 159 Ca 0.14 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.72 3gnl s VAL 159 Cb -0.11 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3gnl s VAL 159 CO 0.04 0.40 -0.19 -0.31 0.00 0.00 0.00 175.10 175.04 3gnl s TYR 160 N 0.40 1.81 -0.01 5.22 2.02 0.58 -4.98 117.35 122.39 3gnl s TYR 160 Ca 0.17 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3gnl s TYR 160 Cb -0.13 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3gnl s TYR 160 CO 0.04 -0.09 0.07 -1.21 -1.57 0.00 0.00 175.55 172.79 3gnl s GLU 161 N -0.28 3.03 0.37 -0.62 2.02 -1.26 -1.06 118.70 120.91 3gnl s GLU 161 Ca 0.03 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3gnl s GLU 161 Cb -0.09 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 3gnl s GLU 161 CO 0.01 0.65 0.11 -0.89 0.02 0.00 0.00 175.26 175.16 3gnl n ILE 162 N 1.31 0.00 -3.64 -1.63 5.41 0.14 -3.77 119.36 117.18 3gnl n ILE 162 Ca -0.14 -2.10 -0.03 0.00 1.00 0.00 0.00 62.75 61.48 3gnl n ILE 162 Cb 0.53 0.71 -0.07 0.00 -0.71 0.00 0.00 39.64 40.10 3gnl n ILE 162 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gnl s VAL 164 N -2.87 -0.02 0.13 1.39 1.01 0.06 -1.27 120.40 118.84 3gnl s VAL 164 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.21 3gnl s VAL 164 Cb 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3gnl s VAL 164 CO 0.11 0.00 -0.17 -0.76 0.00 0.00 0.00 175.10 174.29 3gnl s LEU 165 N 1.44 2.40 0.02 3.92 1.02 0.09 -0.50 118.68 127.07 3gnl s LEU 165 Ca -0.09 -0.80 -0.01 0.00 0.02 0.00 0.00 54.13 53.25 3gnl s LEU 165 Cb -0.04 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.45 3gnl s LEU 165 CO -0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 176.35 176.12 3gnl s ALA 166 N -1.93 0.15 0.35 4.21 0.00 -0.44 -1.16 121.76 122.93 3gnl s ALA 166 Ca 0.11 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 3gnl s ALA 166 Cb -0.06 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.13 3gnl s ALA 166 CO 0.04 -0.20 1.26 -1.25 0.00 0.00 0.00 175.76 175.61 3gnl s PRO 167 N -1.86 4.29 -0.02 0.00 0.04 -1.26 -0.54 135.00 135.65 3gnl s PRO 167 Ca -0.12 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.05 3gnl s PRO 167 Cb -0.07 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 3gnl s PRO 167 CO -0.02 -0.19 -0.14 0.45 0.04 0.00 0.00 177.00 177.14 3gnl s SER 168 N -0.68 4.08 0.00 6.66 0.15 -0.28 -4.75 113.70 118.89 3gnl s SER 168 Ca 0.51 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.19 3gnl s SER 168 Cb -0.37 -0.84 0.81 0.00 -1.71 0.00 0.00 66.02 63.91 3gnl s SER 168 CO 0.48 0.32 1.61 -0.62 1.20 0.00 0.00 173.24 176.23 3gnl n GLU 169 N 2.03 1.84 -4.25 5.44 -0.58 -1.26 -4.84 120.64 119.03 3gnl n GLU 169 Ca -0.17 -1.23 -0.30 0.00 -0.42 0.00 0.00 57.16 55.04 3gnl n GLU 169 Cb 0.52 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 3gnl n GLU 169 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3gnl s LYS 170 N -1.95 2.27 0.44 3.49 2.20 -1.26 -5.10 119.74 119.82 3gnl s LYS 170 Ca 0.35 -0.94 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 3gnl s LYS 170 Cb 0.20 -2.38 -0.10 0.00 -1.51 0.00 0.00 37.83 34.05 3gnl s LYS 170 CO 0.32 0.53 1.14 -2.30 -0.36 0.00 0.00 175.35 174.68 3gnl n PRO 171 N 0.80 1.60 -4.50 4.03 -0.02 -1.26 -4.94 135.00 130.71 3gnl n PRO 171 Ca -0.13 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 3gnl n PRO 171 Cb 0.52 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 3gnl n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gnl s VAL 172 N -1.25 3.40 0.01 -1.45 1.01 -1.26 -5.09 120.40 115.77 3gnl s VAL 172 Ca 0.63 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3gnl s VAL 172 Cb -0.52 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3gnl s VAL 172 CO 0.56 0.50 -0.06 0.28 0.00 0.00 0.00 175.10 176.38 3gnl s THR 173 N 0.54 0.46 -0.02 3.92 -1.32 -1.26 -4.63 115.64 113.33 3gnl s THR 173 Ca -0.06 -0.55 0.07 0.00 -1.21 0.00 0.00 61.69 59.93 3gnl s THR 173 Cb -0.15 -0.45 -0.02 0.00 -1.51 0.00 0.00 72.50 70.37 3gnl s THR 173 CO 0.03 -0.08 -0.21 0.26 -2.21 0.00 0.00 174.62 172.41 3gnl s TRP 174 N -0.61 1.92 0.97 9.09 0.23 -1.26 -5.08 118.94 124.21 3gnl s TRP 174 Ca -0.03 -0.37 -0.12 0.00 -2.03 0.00 0.00 56.10 53.56 3gnl s TRP 174 Cb -0.05 -1.24 0.17 0.00 0.03 0.00 0.00 33.47 32.39 3gnl s TRP 174 CO 0.00 -0.04 1.08 0.95 0.96 0.00 0.00 176.95 179.91 3gnl s THR 175 N -0.49 2.35 0.25 2.01 -4.23 -1.26 -4.75 115.64 109.52 3gnl s THR 175 Ca 0.08 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 3gnl s THR 175 Cb -0.08 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.50 3gnl s THR 175 CO -0.01 -0.15 1.80 0.11 -0.54 0.00 0.00 174.62 175.83 3gnl h LYS 176 N -1.87 0.74 -0.35 3.99 1.57 -2.01 -0.10 116.57 118.54 3gnl h LYS 176 Ca -0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3gnl h LYS 176 Cb 1.30 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3gnl h LYS 176 CO 0.53 0.49 0.23 0.37 -0.57 0.00 0.00 179.45 180.50 3gnl h GLN 177 N 0.76 0.47 -0.70 3.15 4.15 -1.98 -1.49 115.11 119.46 3gnl h GLN 177 Ca 0.41 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.73 3gnl h GLN 177 Cb 0.42 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3gnl h GLN 177 CO -0.27 0.31 0.15 0.93 -1.93 0.00 0.00 178.83 178.03 3gnl h GLU 178 N 0.48 1.13 -0.42 1.69 5.08 -1.66 0.52 114.58 121.41 3gnl h GLU 178 Ca 0.13 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3gnl h GLU 178 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3gnl h GLU 178 CO -0.03 1.01 0.25 0.82 -1.00 0.00 0.00 179.01 180.06 3gnl h ILE 179 N 1.07 1.13 -0.12 3.13 1.08 -0.90 0.58 117.51 123.47 3gnl h ILE 179 Ca 0.22 -0.30 -0.21 0.00 -0.39 0.00 0.00 64.86 64.18 3gnl h ILE 179 Cb 0.40 0.58 0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3gnl h ILE 179 CO 0.01 0.13 -0.74 0.15 -0.69 0.00 0.00 178.15 177.01 3gnl h PHE 180 N 0.55 0.99 0.00 1.37 3.57 -0.92 -3.38 116.94 119.12 3gnl h PHE 180 Ca 0.15 -0.45 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 3gnl h PHE 180 Cb -0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3gnl h PHE 180 CO -0.03 1.27 -1.66 1.19 -2.23 0.00 0.00 178.31 176.85 3gnl n PHE 181 N -4.00 0.00 -0.00 0.41 3.72 0.14 -4.78 117.46 112.95 3gnl n PHE 181 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3gnl n PHE 181 Cb 0.73 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3gnl n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gnl n GLY 182 N 1.92 1.47 0.28 1.37 0.00 0.19 -4.48 105.19 105.94 3gnl n GLY 182 Ca -0.08 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.68 3gnl n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gnl h PRO 183 N 0.00 0.42 0.16 1.61 0.13 -1.88 -0.10 132.00 132.34 3gnl h PRO 183 Ca 0.00 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.84 3gnl h PRO 183 Cb 0.00 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.07 3gnl h PRO 183 CO 0.00 0.40 -1.06 0.00 -0.23 0.00 0.00 178.00 177.10 3gnl h LEU 185 N -0.26 0.62 -0.25 0.00 3.38 -1.75 -1.88 115.31 115.17 3gnl h LEU 185 Ca -0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gnl h LEU 185 Cb 1.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3gnl h LEU 185 CO 0.16 0.54 0.00 0.17 0.09 0.00 0.00 178.44 179.40 3gnl h LEU 186 N 0.68 0.00 0.14 1.67 8.10 -1.14 -0.20 115.31 124.56 3gnl h LEU 186 Ca 0.17 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.94 3gnl h LEU 186 Cb 0.10 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.34 3gnl h LEU 186 CO -0.02 0.00 -0.96 0.11 -4.11 0.00 0.00 178.44 173.46 3gnl h LYS 187 N 0.00 0.41 -0.28 0.17 1.57 -1.46 -3.35 116.57 113.63 3gnl h LYS 187 Ca 0.00 -0.62 -0.06 0.00 -1.87 0.00 0.00 60.65 58.10 3gnl h LYS 187 Cb 0.79 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3gnl h LYS 187 CO 0.00 1.28 -0.08 1.49 -0.57 0.00 0.00 179.45 181.57 3gnl h GLU 188 N -0.15 0.54 -6.39 3.15 4.81 -1.25 -3.48 114.58 111.81 3gnl h GLU 188 Ca -0.16 -0.21 -0.47 0.00 -0.13 0.00 0.00 59.36 58.39 3gnl h GLU 188 Cb 1.72 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 31.09 3gnl h GLU 188 CO 0.18 0.75 -0.92 1.04 -0.73 0.00 0.00 179.01 179.33 3gnl n GLN 189 N -4.50 -2.09 -0.65 1.92 1.13 -0.10 -4.93 117.38 108.16 3gnl n GLN 189 Ca -0.03 0.41 -0.29 0.00 -1.94 0.00 0.00 57.00 55.14 3gnl n GLN 189 Cb 0.32 -4.19 0.21 0.00 0.11 0.00 0.00 30.24 26.69 3gnl n GLN 189 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gnl s SER 190 N -3.87 1.91 0.26 1.08 1.04 -1.26 -4.75 113.70 108.11 3gnl s SER 190 Ca 0.27 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 3gnl s SER 190 Cb -0.10 -2.41 0.36 0.00 0.10 0.00 0.00 66.02 63.96 3gnl s SER 190 CO 0.88 -3.67 1.89 0.00 0.98 0.00 0.00 173.24 173.33 3gnl h ALA 191 N -2.26 1.34 -0.46 5.32 0.00 -2.00 -1.07 119.26 120.14 3gnl h ALA 191 Ca -0.53 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3gnl h ALA 191 Cb 1.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3gnl h ALA 191 CO 0.47 0.50 -0.02 0.82 0.00 0.00 0.00 179.25 181.02 3gnl h ILE 192 N 1.22 1.26 0.03 0.00 2.04 -1.93 -1.48 117.51 118.65 3gnl h ILE 192 Ca 0.41 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3gnl h ILE 192 Cb 0.07 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3gnl h ILE 192 CO -0.14 0.37 -0.22 0.15 0.00 0.00 0.00 178.15 178.31 3gnl h PHE 193 N 0.67 -0.58 -0.63 1.37 3.57 -1.76 0.14 116.94 119.72 3gnl h PHE 193 Ca 0.13 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3gnl h PHE 193 Cb 0.53 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3gnl h PHE 193 CO 0.04 -0.31 0.06 0.87 -2.23 0.00 0.00 178.31 176.74 3gnl h LYS 194 N -0.36 1.07 -0.47 1.11 1.57 -1.12 -1.99 116.57 116.37 3gnl h LYS 194 Ca 0.05 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 3gnl h LYS 194 Cb 0.43 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3gnl h LYS 194 CO -0.18 1.01 -0.18 0.66 -0.57 0.00 0.00 179.45 180.19 3gnl h SER 195 N 0.99 0.97 0.17 0.86 4.64 -1.11 -0.81 113.55 119.26 3gnl h SER 195 Ca 0.19 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3gnl h SER 195 Cb 0.49 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3gnl h SER 195 CO 0.02 1.14 -0.08 0.50 -0.87 0.00 0.00 176.83 177.54 3gnl h LYS 196 N 0.80 -0.21 -0.11 4.77 3.64 -0.75 -1.84 116.57 122.86 3gnl h LYS 196 Ca 0.11 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 3gnl h LYS 196 Cb 0.75 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3gnl h LYS 196 CO 0.06 -0.10 -0.70 -1.49 -2.27 0.00 0.00 179.45 174.95 3gnl h TRP 197 N -0.27 0.66 -0.70 1.91 4.06 -1.27 -1.19 115.95 119.15 3gnl h TRP 197 Ca -0.02 -0.28 -0.01 0.00 2.06 0.00 0.00 58.89 60.63 3gnl h TRP 197 Cb 0.21 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 3gnl h TRP 197 CO -0.05 1.04 0.39 0.00 -3.56 0.00 0.00 178.44 176.26 3gnl h ARG 198 N 0.35 0.98 -0.46 0.49 3.08 -1.14 -0.60 114.38 117.07 3gnl h ARG 198 Ca -0.03 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3gnl h ARG 198 Cb 1.28 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3gnl h ARG 198 CO 0.13 0.73 0.23 1.25 -1.07 0.00 0.00 179.97 181.23 3gnl h HIS 199 N 0.97 0.66 -0.61 3.04 2.76 -1.04 -1.29 115.15 119.64 3gnl h HIS 199 Ca 0.25 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 3gnl h HIS 199 Cb 0.03 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 3gnl h HIS 199 CO -0.00 0.53 0.04 0.93 -1.30 0.00 0.00 177.93 178.12 3gnl h GLU 200 N 0.61 1.05 -0.36 5.26 4.39 -0.95 -2.13 114.58 122.44 3gnl h GLU 200 Ca 0.16 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 3gnl h GLU 200 Cb 0.11 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3gnl h GLU 200 CO -0.02 1.01 -0.11 0.00 -1.16 0.00 0.00 179.01 178.73 3gnl h ALA 201 N 1.00 1.13 -0.61 3.43 0.00 -0.95 -0.86 119.26 122.40 3gnl h ALA 201 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gnl h ALA 201 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3gnl h ALA 201 CO 0.02 0.55 0.28 -0.97 0.00 0.00 0.00 179.25 179.13 3gnl h ASN 202 N 0.58 0.82 -0.70 0.00 -1.24 -0.89 -1.65 115.58 112.50 3gnl h ASN 202 Ca 0.10 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 3gnl h ASN 202 Cb 0.53 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 3gnl h ASN 202 CO 0.03 0.74 0.21 0.74 -1.29 0.00 0.00 177.43 177.86 3gnl h THR 203 N 0.85 1.26 -0.86 -3.57 2.02 -0.90 -1.12 112.91 110.59 3gnl h THR 203 Ca 0.21 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3gnl h THR 203 Cb 0.15 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3gnl h THR 203 CO -0.02 0.35 0.55 -0.50 0.37 0.00 0.00 175.52 176.27 3gnl h TRP 204 N 1.06 1.10 -0.27 3.16 6.55 -0.81 0.39 115.95 127.13 3gnl h TRP 204 Ca 0.23 0.02 -0.16 0.00 0.95 0.00 0.00 58.89 59.92 3gnl h TRP 204 Cb 0.31 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.24 3gnl h TRP 204 CO 0.02 0.71 -0.48 0.37 -1.05 0.00 0.00 178.44 178.01 3gnl h GLN 205 N 1.17 0.73 -0.98 0.49 5.75 -0.98 -1.38 115.11 119.90 3gnl h GLN 205 Ca 0.31 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3gnl h GLN 205 Cb -0.10 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 3gnl h GLN 205 CO -0.06 1.05 0.65 -0.91 -2.65 0.00 0.00 178.83 176.90 3gnl h ASN 206 N 0.57 1.10 -0.37 -0.69 2.35 -0.64 -0.49 115.58 117.42 3gnl h ASN 206 Ca 0.03 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3gnl h ASN 206 Cb 1.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3gnl h ASN 206 CO 0.10 0.77 -0.03 0.40 -1.65 0.00 0.00 177.43 177.03 3gnl h ILE 207 N 1.29 1.27 -0.50 2.81 2.04 -0.46 -0.74 117.51 123.21 3gnl h ILE 207 Ca 0.37 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3gnl h ILE 207 Cb -0.08 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3gnl h ILE 207 CO -0.10 0.35 0.12 0.40 0.00 0.00 0.00 178.15 178.92 3gnl h ILE 208 N 0.47 0.75 -0.35 -0.67 2.04 -0.95 0.02 117.51 118.82 3gnl h ILE 208 Ca 0.10 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3gnl h ILE 208 Cb 0.51 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3gnl h ILE 208 CO 0.02 0.05 0.15 -0.61 0.00 0.00 0.00 178.15 177.76 3gnl h GLN 209 N 0.27 0.52 -0.60 2.37 5.75 -0.81 -0.82 115.11 121.79 3gnl h GLN 209 Ca 0.25 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3gnl h GLN 209 Cb 0.32 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3gnl h GLN 209 CO -0.30 0.50 0.37 1.15 -2.65 0.00 0.00 178.83 177.90 3gnl h THR 210 N 0.42 1.08 -0.52 2.39 2.02 -0.72 -0.61 112.91 116.98 3gnl h THR 210 Ca 0.12 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.07 3gnl h THR 210 Cb 0.17 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3gnl h THR 210 CO -0.01 0.13 0.31 0.40 0.37 0.00 0.00 175.52 176.72 3gnl h ILE 211 N 0.73 1.06 0.00 3.11 2.04 -0.70 -2.52 117.51 121.23 3gnl h ILE 211 Ca 0.24 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3gnl h ILE 211 Cb 0.01 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3gnl h ILE 211 CO -0.10 0.11 -0.05 0.77 0.00 0.00 0.00 178.15 178.89 3gnl h SER 212 N 0.62 0.00 0.71 1.72 4.64 -0.54 -2.80 113.55 117.90 3gnl h SER 212 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3gnl h SER 212 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gnl h SER 212 CO -0.09 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.51 3gnl n ASN 213 N -3.17 0.45 -3.72 4.97 3.02 -0.29 -4.23 115.26 112.29 3gnl n ASN 213 Ca 0.00 0.60 -0.28 0.00 -0.03 0.00 0.00 54.58 54.88 3gnl n ASN 213 Cb 0.33 -0.70 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 3gnl n ASN 213 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gnl n ASN 214 N -1.99 2.72 -4.78 6.41 5.15 -1.06 -5.08 115.26 116.64 3gnl n ASN 214 Ca 0.03 -3.16 -0.36 0.00 -0.60 0.00 0.00 54.58 50.49 3gnl n ASN 214 Cb 0.23 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 38.75 3gnl n ASN 214 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3gnl s GLN 215 N -1.53 3.73 0.45 1.20 -1.52 -1.26 -4.24 119.66 116.49 3gnl s GLN 215 Ca 0.29 1.64 -0.22 0.00 -1.95 0.00 0.00 55.36 55.12 3gnl s GLN 215 Cb 0.02 -2.29 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 3gnl s GLN 215 CO -0.14 -0.55 1.05 -1.25 -0.25 0.00 0.00 175.29 174.15 3gnl s PRO 216 N -2.88 3.96 -0.05 2.91 0.04 -1.26 -5.13 135.00 132.60 3gnl s PRO 216 Ca 0.65 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 3gnl s PRO 216 Cb -0.25 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 3gnl s PRO 216 CO 0.30 -0.31 0.90 0.08 0.04 0.00 0.00 177.00 178.01 3gnl s VAL 217 N -1.83 4.91 0.89 -0.36 1.01 -1.26 -5.04 120.40 118.72 3gnl s VAL 217 Ca 0.63 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 64.36 3gnl s VAL 217 Cb -0.19 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.08 3gnl s VAL 217 CO 0.24 0.15 1.10 -0.94 0.00 0.00 0.00 175.10 175.65 3gnl s SER 218 N 0.98 3.42 0.30 3.32 1.04 -1.26 -4.75 113.70 116.75 3gnl s SER 218 Ca 0.47 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.67 3gnl s SER 218 Cb -0.19 -2.40 0.47 0.00 0.10 0.00 0.00 66.02 64.00 3gnl s SER 218 CO 0.23 -2.71 1.91 0.71 0.98 0.00 0.00 173.24 174.35 3gnl h THR 219 N -1.60 1.21 -0.52 2.02 1.35 -1.99 0.19 112.91 113.58 3gnl h THR 219 Ca -0.47 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 3gnl h THR 219 Cb 1.27 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 3gnl h THR 219 CO 0.50 0.24 0.27 -0.33 -0.25 0.00 0.00 175.52 175.96 3gnl h GLU 220 N 0.89 0.73 0.00 4.72 3.07 -2.00 -1.61 114.58 120.38 3gnl h GLU 220 Ca 0.22 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3gnl h GLU 220 Cb 0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3gnl h GLU 220 CO -0.03 0.57 -0.66 -0.91 -1.40 0.00 0.00 179.01 176.58 3gnl h ASN 221 N 0.69 0.00 -0.80 1.42 -0.26 -1.79 -1.88 115.58 112.96 3gnl h ASN 221 Ca 0.18 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3gnl h ASN 221 Cb 0.07 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 3gnl h ASN 221 CO -0.03 0.66 0.50 1.56 -1.06 0.00 0.00 177.43 179.06 3gnl h GLN 222 N 0.00 0.92 -0.67 0.81 4.20 -0.29 0.21 115.11 120.28 3gnl h GLN 222 Ca -0.01 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3gnl h GLN 222 Cb 1.31 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 3gnl h GLN 222 CO 0.09 0.61 0.13 0.00 -0.67 0.00 0.00 178.83 178.99 3gnl h ALA 223 N 1.35 0.89 -0.57 3.87 0.00 -1.09 -1.33 119.26 122.38 3gnl h ALA 223 Ca 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gnl h ALA 223 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gnl h ALA 223 CO -0.14 0.64 0.33 0.87 0.00 0.00 0.00 179.25 180.96 3gnl h LYS 224 N 1.02 0.78 -0.73 0.00 1.57 -0.95 -1.09 116.57 117.17 3gnl h LYS 224 Ca 0.21 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3gnl h LYS 224 Cb 0.41 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3gnl h LYS 224 CO 0.01 0.58 0.48 0.82 -0.57 0.00 0.00 179.45 180.77 3gnl h ILE 225 N 0.77 1.18 -0.77 1.86 2.04 -0.23 0.07 117.51 122.42 3gnl h ILE 225 Ca 0.20 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3gnl h ILE 225 Cb 0.00 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3gnl h ILE 225 CO -0.04 0.18 0.29 0.03 0.00 0.00 0.00 178.15 178.61 3gnl h ARG 226 N 0.98 1.16 -0.59 2.37 3.08 -0.85 0.90 114.38 121.42 3gnl h ARG 226 Ca 0.27 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3gnl h ARG 226 Cb -0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 3gnl h ARG 226 CO -0.06 0.95 0.25 0.93 -1.07 0.00 0.00 179.97 180.97 3gnl h GLU 227 N 1.12 0.88 -0.49 0.04 5.08 -0.64 -1.22 114.58 119.35 3gnl h GLU 227 Ca 0.25 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3gnl h GLU 227 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3gnl h GLU 227 CO -0.02 0.74 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.47 3gnl h LEU 228 N 0.82 0.99 -0.73 1.33 3.38 -0.51 -1.78 115.31 118.81 3gnl h LEU 228 Ca 0.20 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3gnl h LEU 228 Cb 0.18 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3gnl h LEU 228 CO -0.02 1.14 0.36 -0.33 0.09 0.00 0.00 178.44 179.69 3gnl h GLU 229 N 0.85 0.58 -0.32 1.13 5.08 -0.67 -0.38 114.58 120.84 3gnl h GLU 229 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3gnl h GLU 229 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3gnl h GLU 229 CO 0.06 0.38 0.10 1.25 -1.00 0.00 0.00 179.01 179.80 3gnl h HIS 230 N 0.59 0.52 -0.76 4.33 2.76 -0.76 -1.01 115.15 120.83 3gnl h HIS 230 Ca 0.37 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3gnl h HIS 230 Cb 0.42 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 3gnl h HIS 230 CO -0.11 0.53 0.45 0.87 -1.30 0.00 0.00 177.93 178.37 3gnl h LYS 231 N 0.37 1.04 -0.72 5.26 1.57 -1.04 -0.91 116.57 122.14 3gnl h LYS 231 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3gnl h LYS 231 Cb 0.25 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3gnl h LYS 231 CO -0.00 0.74 0.38 0.82 -0.57 0.00 0.00 179.45 180.82 3gnl h ILE 232 N 1.04 1.23 -0.81 1.86 2.04 -0.91 -2.16 117.51 119.80 3gnl h ILE 232 Ca 0.27 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3gnl h ILE 232 Cb -0.03 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3gnl h ILE 232 CO -0.05 0.25 0.41 0.00 0.00 0.00 0.00 178.15 178.76 3gnl h ALA 233 N 1.19 1.20 -0.48 1.87 0.00 -0.91 -0.52 119.26 121.61 3gnl h ALA 233 Ca 0.25 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gnl h ALA 233 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3gnl h ALA 233 CO -0.04 0.62 0.28 -0.07 0.00 0.00 0.00 179.25 180.04 3gnl h LEU 234 N 1.14 0.44 -0.29 0.00 3.38 -0.80 -0.53 115.31 118.65 3gnl h LEU 234 Ca 0.28 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3gnl h LEU 234 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gnl h LEU 234 CO -0.04 0.31 0.03 0.58 0.09 0.00 0.00 178.44 179.41 3gnl h VAL 235 N 0.55 1.24 -0.72 1.22 2.07 -1.04 -0.49 116.25 119.08 3gnl h VAL 235 Ca 0.20 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3gnl h VAL 235 Cb 0.04 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3gnl h VAL 235 CO -0.10 0.28 0.37 -0.33 0.02 0.00 0.00 177.57 177.81 3gnl h GLU 236 N 0.31 1.01 -0.39 1.57 5.08 -0.92 -1.34 114.58 119.90 3gnl h GLU 236 Ca 0.09 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3gnl h GLU 236 Cb 0.38 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3gnl h GLU 236 CO 0.01 0.76 -0.27 0.22 -1.00 0.00 0.00 179.01 178.73 3gnl h ASP 237 N 1.01 0.90 0.70 1.42 3.58 -0.84 -2.20 116.42 121.00 3gnl h ASP 237 Ca 0.25 -0.43 -0.16 0.00 0.42 0.00 0.00 57.03 57.11 3gnl h ASP 237 Cb 0.06 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3gnl h ASP 237 CO -0.04 1.14 -0.76 1.62 -2.88 0.00 0.00 179.24 178.33 3gnl h VAL 238 N 0.67 1.52 0.00 2.25 3.04 -0.71 -3.19 116.25 119.84 3gnl h VAL 238 Ca 0.08 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 3gnl h VAL 238 Cb 0.84 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.49 3gnl h VAL 238 CO 0.07 0.73 -0.48 0.18 -1.01 0.00 0.00 177.57 177.06 3gnl n LEU 239 N -3.66 0.71 0.00 3.16 4.77 -0.54 -5.10 117.00 116.34 3gnl n LEU 239 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3gnl n LEU 239 Cb 0.73 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3gnl n LEU 239 CO 0.44 -0.07 0.00 0.29 -1.33 0.00 0.00 177.39 176.72