#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtc s VAL 3 N 0.00 1.94 -0.11 1.39 -7.23 -1.26 -0.59 120.40 114.55 2gtc s VAL 3 Ca 0.00 -1.02 -0.09 0.00 -1.81 0.00 0.00 61.98 59.06 2gtc s VAL 3 Cb 0.00 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.34 2gtc s VAL 3 CO 0.00 0.55 0.28 0.28 -0.31 0.00 0.00 175.10 175.89 2gtc s THR 4 N -0.29 -0.01 -2.00 5.32 -1.32 -0.31 -4.99 115.64 112.04 2gtc s THR 4 Ca 0.01 0.02 0.12 0.00 -1.21 0.00 0.00 61.69 60.63 2gtc s THR 4 Cb -0.12 -0.40 0.33 0.00 -1.51 0.00 0.00 72.50 70.80 2gtc s THR 4 CO 0.02 0.01 1.28 0.35 -2.21 0.00 0.00 174.62 174.07 2gtc n THR 5 N 3.16 0.00 -3.94 5.08 -2.24 -1.26 -1.72 114.28 113.36 2gtc n THR 5 Ca -0.15 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 2gtc n THR 5 Cb 0.57 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 2gtc n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gtc s THR 6 N -2.00 5.31 -0.59 4.28 -4.23 -1.26 -4.15 115.64 113.00 2gtc s THR 6 Ca 0.17 -0.62 0.20 0.00 -1.18 0.00 0.00 61.69 60.27 2gtc s THR 6 Cb 0.08 -3.69 0.21 0.00 1.34 0.00 0.00 72.50 70.43 2gtc s THR 6 CO 0.13 -0.03 1.62 -0.24 -0.54 0.00 0.00 174.62 175.57 2gtc n SER 7 N -0.30 0.48 -3.41 3.99 2.88 -1.26 0.25 113.62 116.25 2gtc n SER 7 Ca -0.07 0.63 -0.10 0.00 -1.33 0.00 0.00 58.87 58.01 2gtc n SER 7 Cb 0.53 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 2gtc n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2gtc s GLY 8 N -3.40 0.53 -0.14 0.46 0.00 -1.26 -4.65 107.32 98.85 2gtc s GLY 8 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.95 2gtc s GLY 8 CO 0.33 -0.46 -0.21 -0.42 0.00 0.00 0.00 173.10 172.33 2gtc s ILE 9 N -3.15 2.02 -0.01 0.90 1.01 -1.26 -4.97 121.20 115.74 2gtc s ILE 9 Ca 0.19 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 2gtc s ILE 9 Cb -0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2gtc s ILE 9 CO 0.12 0.54 1.14 -1.10 0.00 0.00 0.00 174.94 175.64 2gtc s GLN 10 N 0.89 4.43 0.00 2.79 -0.21 -1.26 -3.28 119.66 123.02 2gtc s GLN 10 Ca -0.05 1.64 0.00 0.00 0.02 0.00 0.00 55.36 56.96 2gtc s GLN 10 Cb -0.15 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.40 2gtc s GLN 10 CO -0.03 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 2gtc n GLY 11 N 3.20 2.65 2.88 3.09 0.00 -1.26 -4.94 105.19 110.80 2gtc n GLY 11 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2gtc n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gtc s LYS 12 N -0.48 1.39 0.73 1.61 1.02 -1.20 -5.12 119.74 117.68 2gtc s LYS 12 Ca 0.00 -1.91 -0.11 0.00 0.02 0.00 0.00 55.97 53.97 2gtc s LYS 12 Cb 0.00 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 2gtc s LYS 12 CO 0.00 -1.04 1.08 -1.83 -0.92 0.00 0.00 175.35 172.64 2gtc s GLU 13 N 0.65 2.64 -0.33 1.68 4.04 -1.26 -4.48 118.70 121.64 2gtc s GLU 13 Ca 0.14 1.08 -0.22 0.00 0.04 0.00 0.00 54.97 56.00 2gtc s GLU 13 Cb -0.21 -1.95 0.00 0.00 0.02 0.00 0.00 34.13 31.99 2gtc s GLU 13 CO -0.08 -1.34 0.72 0.42 -1.84 0.00 0.00 175.26 173.14 2gtc s ILE 14 N -2.93 4.83 -0.02 1.83 1.01 -1.26 -4.63 121.20 120.03 2gtc s ILE 14 Ca 0.60 0.92 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 2gtc s ILE 14 Cb -0.16 -4.12 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 2gtc s ILE 14 CO 0.54 -0.29 1.05 0.40 0.00 0.00 0.00 174.94 176.65 2gtc h ILE 15 N 5.64 1.48 -3.50 2.92 5.03 -1.38 -3.46 117.51 124.23 2gtc h ILE 15 Ca -0.25 -2.09 -0.27 0.00 -0.12 0.00 0.00 64.86 62.13 2gtc h ILE 15 Cb 1.10 2.71 -0.32 0.00 -3.03 0.00 0.00 36.82 37.29 2gtc h ILE 15 CO 0.86 0.59 -0.69 -0.70 -0.68 0.00 0.00 178.15 177.53 2gtc s GLU 16 N -3.10 0.00 -0.57 2.37 2.12 -1.06 -5.01 118.70 113.45 2gtc s GLU 16 Ca -0.14 0.19 -0.21 0.00 0.36 0.00 0.00 54.97 55.17 2gtc s GLU 16 Cb 0.02 -0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.30 2gtc s GLU 16 CO 0.80 -0.13 0.80 0.71 -0.54 0.00 0.00 175.26 176.90 2gtc s TYR 17 N 0.85 2.88 0.00 5.30 1.51 -1.26 -1.96 117.35 124.67 2gtc s TYR 17 Ca -0.07 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 2gtc s TYR 17 Cb -0.10 -3.93 0.00 0.00 -0.11 0.00 0.00 41.96 37.82 2gtc s TYR 17 CO -0.03 -1.30 0.02 -0.89 -1.11 0.00 0.00 175.55 172.24 2gtc n ILE 18 N 5.84 0.00 -3.74 2.71 5.41 -0.57 -5.05 119.36 123.95 2gtc n ILE 18 Ca -0.04 0.37 -0.09 0.00 1.00 0.00 0.00 62.75 63.99 2gtc n ILE 18 Cb 0.45 -1.07 -0.03 0.00 -0.71 0.00 0.00 39.64 38.29 2gtc n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2gtc s ASP 19 N -2.36 -0.31 -0.15 4.38 2.15 -1.22 -5.01 116.67 114.14 2gtc s ASP 19 Ca 0.00 -0.47 -0.29 0.00 0.43 0.00 0.00 52.55 52.22 2gtc s ASP 19 Cb 0.00 0.65 -0.01 0.00 -0.30 0.00 0.00 42.92 43.26 2gtc s ASP 19 CO 0.00 -1.17 1.16 -0.63 -0.17 0.00 0.00 175.17 174.36 2gtc s ILE 20 N -3.88 4.43 0.17 4.11 1.01 -1.26 -0.28 121.20 125.51 2gtc s ILE 20 Ca 0.09 1.74 0.05 0.00 0.00 0.00 0.00 60.65 62.53 2gtc s ILE 20 Cb -0.03 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2gtc s ILE 20 CO 0.00 -0.10 0.17 0.68 0.00 0.00 0.00 174.94 175.69 2gtc s VAL 21 N 2.94 4.62 0.05 2.92 -7.23 0.23 -4.92 120.40 119.01 2gtc s VAL 21 Ca 0.52 -1.06 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2gtc s VAL 21 Cb -0.20 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2gtc s VAL 21 CO 0.15 -0.14 0.02 0.20 -0.31 0.00 0.00 175.10 175.01 2gtc s ASN 22 N -3.24 0.38 0.01 4.85 0.01 -1.26 -1.96 114.94 113.73 2gtc s ASN 22 Ca 0.32 -0.85 -0.18 0.00 -0.71 0.00 0.00 52.86 51.43 2gtc s ASN 22 Cb -0.10 0.21 0.03 0.00 0.41 0.00 0.00 41.25 41.81 2gtc s ASN 22 CO 0.24 -0.58 0.40 -0.83 -1.51 0.00 0.00 177.10 174.82 2gtc s GLY 23 N -2.69 -0.25 0.22 0.66 0.00 -0.66 -4.89 107.32 99.71 2gtc s GLY 23 Ca 0.03 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 2gtc s GLY 23 CO -0.09 0.17 0.32 -0.54 0.00 0.00 0.00 173.10 172.97 2gtc s GLU 24 N -1.86 1.38 -0.28 2.90 8.01 -1.26 -0.80 118.70 126.80 2gtc s GLU 24 Ca -0.09 -1.40 -0.24 0.00 0.01 0.00 0.00 54.97 53.24 2gtc s GLU 24 Cb -0.02 0.38 0.09 0.00 -4.31 0.00 0.00 34.13 30.27 2gtc s GLU 24 CO 0.02 -0.52 0.84 0.00 0.01 0.00 0.00 175.26 175.60 2gtc s ALA 25 N -4.07 -1.87 0.00 5.21 0.00 -1.04 -3.91 121.76 116.08 2gtc s ALA 25 Ca 0.29 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.25 2gtc s ALA 25 Cb 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2gtc s ALA 25 CO 0.10 -0.31 0.00 -0.89 0.00 0.00 0.00 175.76 174.66 2gtc n ILE 26 N 2.64 0.00 -4.21 0.00 5.41 -1.26 -1.64 119.36 120.29 2gtc n ILE 26 Ca -0.14 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.42 2gtc n ILE 26 Cb 0.56 -0.27 -0.12 0.00 -0.71 0.00 0.00 39.64 39.10 2gtc n ILE 26 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2gtc s GLY 28 N -0.27 0.99 0.14 7.39 0.00 -1.26 -4.99 107.32 109.31 2gtc s GLY 28 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.33 2gtc s GLY 28 CO 0.00 -1.18 1.62 0.00 0.00 0.00 0.00 173.10 173.54 2gtc h ALA 29 N 3.95 -0.29 -1.77 3.20 0.00 -1.99 -1.48 119.26 120.89 2gtc h ALA 29 Ca -0.41 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 2gtc h ALA 29 Cb 1.19 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2gtc h ALA 29 CO 0.44 -0.75 1.13 1.21 0.00 0.00 0.00 179.25 181.29 2gtc s ASN 30 N -4.95 6.16 0.00 0.00 2.47 -1.26 -0.19 114.94 117.17 2gtc s ASN 30 Ca -0.15 0.84 0.00 0.00 0.42 0.00 0.00 52.86 53.97 2gtc s ASN 30 Cb 0.11 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 2gtc s ASN 30 CO 0.67 -1.58 0.00 -0.38 -3.72 0.00 0.00 177.10 172.09 2gtc n ILE 31 N 7.14 0.00 0.08 -5.21 2.08 -1.24 -4.89 119.36 117.32 2gtc n ILE 31 Ca 0.18 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.36 2gtc n ILE 31 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.29 2gtc n ILE 31 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2gtc h VAL 32 N 0.00 0.97 0.00 1.39 2.07 -0.79 0.25 116.25 120.14 2gtc h VAL 32 Ca 0.00 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2gtc h VAL 32 Cb 0.00 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2gtc h VAL 32 CO 0.00 0.17 -0.24 -0.09 0.02 0.00 0.00 177.57 177.44 2gtc h ARG 33 N -0.60 0.00 0.11 1.57 1.12 -0.83 -2.02 114.38 113.73 2gtc h ARG 33 Ca -0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2gtc h ARG 33 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2gtc h ARG 33 CO 0.04 0.24 -0.05 0.22 -3.11 0.00 0.00 179.97 177.30 2gtc h ASP 34 N 0.00 -0.12 0.28 -3.80 3.58 -1.71 -3.29 116.42 111.36 2gtc h ASP 34 Ca -0.00 -0.29 -0.28 0.00 0.42 0.00 0.00 57.03 56.88 2gtc h ASP 34 Cb 0.44 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 2gtc h ASP 34 CO 0.03 0.48 -1.97 0.18 -2.88 0.00 0.00 179.24 175.08 2gtc n LEU 35 N -4.84 0.44 0.14 2.28 4.77 0.85 -4.20 117.00 116.45 2gtc n LEU 35 Ca -0.05 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2gtc n LEU 35 Cb 0.20 0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2gtc n LEU 35 CO 0.16 0.37 0.35 -0.26 -1.33 0.00 0.00 177.39 176.68 2gtc h PHE 36 N 0.00 0.00 0.00 -1.77 -1.00 -1.46 -3.21 116.94 109.50 2gtc h PHE 36 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2gtc h PHE 36 Cb 1.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.53 2gtc h PHE 36 CO 0.00 0.20 0.00 0.00 -1.61 0.00 0.00 178.31 176.90 2gtc n ALA 37 N -2.20 1.92 -0.72 2.45 0.00 -1.22 -4.77 120.51 115.98 2gtc n ALA 37 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 2gtc n ALA 37 Cb 0.63 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.98 2gtc n ALA 37 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2gtc s SER 38 N -3.62 -0.38 0.05 0.00 0.01 -1.21 -4.90 113.70 103.64 2gtc s SER 38 Ca 0.08 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2gtc s SER 38 Cb 0.12 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2gtc s SER 38 CO 0.42 -4.92 0.00 0.52 0.41 0.00 0.00 173.24 169.66 2gtc n VAL 39 N -5.30 -3.41 0.72 3.43 0.31 -1.26 -4.98 118.33 107.84 2gtc n VAL 39 Ca 0.15 0.58 0.07 0.00 -0.01 0.00 0.00 64.34 65.13 2gtc n VAL 39 Cb 0.60 -2.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 2gtc n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2gtc n ARG 40 N 0.14 1.97 0.00 5.55 5.12 -1.26 -4.95 116.66 123.23 2gtc n ARG 40 Ca 0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2gtc n ARG 40 Cb 0.00 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2gtc n ARG 40 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2gtc n ASP 41 N -1.36 0.00 -3.70 0.55 2.03 -1.26 -5.13 116.55 107.68 2gtc n ASP 41 Ca 0.03 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.10 2gtc n ASP 41 Cb 0.24 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.46 2gtc n ASP 41 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2gtc s VAL 42 N 1.00 0.18 -0.04 5.18 1.01 -1.26 -5.14 120.40 121.33 2gtc s VAL 42 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2gtc s VAL 42 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2gtc s VAL 42 CO 0.00 0.03 -0.07 -0.69 0.00 0.00 0.00 175.10 174.37 2gtc s VAL 43 N 2.04 0.71 0.92 2.92 1.01 -1.26 -5.15 120.40 121.58 2gtc s VAL 43 Ca 0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 2gtc s VAL 43 Cb -0.14 -0.67 0.17 0.00 0.00 0.00 0.00 36.38 35.74 2gtc s VAL 43 CO -0.06 0.25 1.27 -0.83 0.00 0.00 0.00 175.10 175.73 2gtc s GLY 44 N 0.58 1.74 0.12 4.51 0.00 -1.26 -4.97 107.32 108.03 2gtc s GLY 44 Ca -0.09 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 2gtc s GLY 44 CO 0.01 -0.40 1.31 -1.33 0.00 0.00 0.00 173.10 172.68 2gtc h GLY 45 N -1.46 0.61 -0.70 0.20 0.00 -2.01 -3.07 103.07 96.65 2gtc h GLY 45 Ca -0.44 -0.98 0.20 0.00 0.00 0.00 0.00 47.33 46.10 2gtc h GLY 45 CO 0.44 0.87 -0.08 0.07 0.00 0.00 0.00 176.54 177.84 2gtc h ARG 46 N 0.34 0.03 -2.20 4.80 0.11 -2.01 -3.10 114.38 112.35 2gtc h ARG 46 Ca -0.08 -0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.44 2gtc h ARG 46 Cb 1.51 -0.01 -0.41 0.00 1.11 0.00 0.00 29.97 32.17 2gtc h ARG 46 CO 0.16 0.02 -0.78 0.00 0.10 0.00 0.00 179.97 179.48 2gtc n ALA 47 N -3.21 3.93 -3.00 0.08 0.00 -1.23 -5.05 120.51 112.03 2gtc n ALA 47 Ca 0.16 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.23 2gtc n ALA 47 Cb 0.54 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2gtc n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gtc n GLY 48 N 0.04 5.31 0.00 0.00 0.00 -1.16 -4.58 105.19 104.80 2gtc n GLY 48 Ca 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2gtc n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gtc n SER 49 N 0.00 0.00 0.06 1.61 7.64 -1.26 -4.89 113.62 116.79 2gtc n SER 49 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2gtc n SER 49 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2gtc n SER 49 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2gtc h TYR 50 N 0.00 0.00 0.05 1.43 -0.00 -1.93 -3.36 116.97 113.16 2gtc h TYR 50 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2gtc h TYR 50 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2gtc h TYR 50 CO 0.00 0.91 -0.07 1.49 -0.00 0.00 0.00 178.16 180.49 2gtc h GLU 51 N 0.00 -0.14 -0.92 0.10 4.22 -1.90 -1.53 114.58 114.41 2gtc h GLU 51 Ca -0.04 0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.65 2gtc h GLU 51 Cb 1.73 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.84 2gtc h GLU 51 CO 0.11 -0.09 0.04 0.66 -2.18 0.00 0.00 179.01 177.55 2gtc h SER 52 N -0.15 -0.41 -0.10 1.04 4.64 -1.88 1.04 113.55 117.74 2gtc h SER 52 Ca 0.01 0.25 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 2gtc h SER 52 Cb 0.15 0.43 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2gtc h SER 52 CO -0.03 -0.29 -0.75 0.11 -0.87 0.00 0.00 176.83 174.99 2gtc h LYS 53 N 0.06 0.69 -0.18 4.77 1.79 -1.69 -1.60 116.57 120.40 2gtc h LYS 53 Ca 0.55 -0.61 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2gtc h LYS 53 Cb 1.08 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2gtc h LYS 53 CO -0.83 1.21 0.09 1.25 -1.08 0.00 0.00 179.45 180.09 2gtc h LEU 54 N 0.37 0.24 -1.22 2.94 5.85 0.05 -0.92 115.31 122.61 2gtc h LEU 54 Ca -0.07 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2gtc h LEU 54 Cb 1.40 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 2gtc h LEU 54 CO 0.15 0.28 0.26 0.50 -0.34 0.00 0.00 178.44 179.30 2gtc h LYS 55 N 0.17 0.80 -0.50 1.25 3.64 0.94 0.45 116.57 123.33 2gtc h LYS 55 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2gtc h LYS 55 Cb 0.11 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2gtc h LYS 55 CO -0.01 0.63 0.25 1.49 -2.27 0.00 0.00 179.45 179.55 2gtc h GLU 56 N 0.80 0.71 -0.43 1.90 4.81 -0.98 -1.38 114.58 120.02 2gtc h GLU 56 Ca 0.20 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2gtc h GLU 56 Cb 0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2gtc h GLU 56 CO -0.03 0.58 0.02 0.00 -0.73 0.00 0.00 179.01 178.86 2gtc h ALA 57 N 1.09 0.58 -0.39 2.92 0.00 -0.71 -2.41 119.26 120.34 2gtc h ALA 57 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2gtc h ALA 57 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2gtc h ALA 57 CO -0.02 0.35 0.04 -0.09 0.00 0.00 0.00 179.25 179.52 2gtc h ARG 58 N 0.59 0.66 -0.30 0.00 2.43 -0.85 -2.12 114.38 114.80 2gtc h ARG 58 Ca 0.12 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2gtc h ARG 58 Cb 0.46 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2gtc h ARG 58 CO 0.02 0.73 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.76 2gtc h ASP 59 N 0.50 0.42 -0.01 -3.80 3.32 -1.26 -2.99 116.42 112.60 2gtc h ASP 59 Ca 0.11 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2gtc h ASP 59 Cb 0.41 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2gtc h ASP 59 CO 0.01 0.50 -0.00 0.40 -1.72 0.00 0.00 179.24 178.43 2gtc h ILE 60 N 0.44 1.26 0.00 0.35 2.04 -1.18 -0.17 117.51 120.24 2gtc h ILE 60 Ca 0.10 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2gtc h ILE 60 Cb 0.31 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2gtc h ILE 60 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2gtc n ALA 61 N -2.26 0.80 0.00 1.87 0.00 -0.82 -0.74 120.51 119.36 2gtc n ALA 61 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2gtc n ALA 61 Cb 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2gtc n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gtc n ASP 63 N 0.33 0.00 -0.45 0.00 8.00 -0.08 -4.08 116.55 120.27 2gtc n ASP 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2gtc n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2gtc n ASP 63 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gtc n GLU 64 N 0.00 0.00 0.00 -1.24 2.13 0.08 -0.79 120.64 120.82 2gtc n GLU 64 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gtc n GLU 64 Cb 0.00 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2gtc n GLU 64 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2gtc n LYS 66 N 0.40 0.00 -0.07 5.31 5.02 -1.26 -1.36 118.16 126.19 2gtc n LYS 66 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2gtc n LYS 66 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2gtc n LYS 66 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2gtc h GLU 67 N 0.00 0.24 -0.89 1.97 4.81 -1.37 0.11 114.58 119.45 2gtc h GLU 67 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2gtc h GLU 67 Cb 0.00 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2gtc h GLU 67 CO 0.00 0.16 0.52 1.25 -0.73 0.00 0.00 179.01 180.21 2gtc h LEU 68 N 0.25 1.07 -0.31 1.64 5.85 -1.46 -1.08 115.31 121.27 2gtc h LEU 68 Ca 0.12 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2gtc h LEU 68 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2gtc h LEU 68 CO -0.10 0.84 0.10 0.00 -0.34 0.00 0.00 178.44 178.93 2gtc h ALA 69 N 1.28 0.41 -0.57 1.25 0.00 -1.75 -2.02 119.26 117.86 2gtc h ALA 69 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2gtc h ALA 69 Cb -0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.54 2gtc h ALA 69 CO -0.06 0.04 -0.52 0.87 0.00 0.00 0.00 179.25 179.59 2gtc h LYS 70 N 0.34 -0.26 -0.99 0.00 1.57 -0.50 -0.20 116.57 116.52 2gtc h LYS 70 Ca 0.10 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 2gtc h LYS 70 Cb 0.25 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 2gtc h LYS 70 CO -0.00 -0.18 0.61 1.96 -0.57 0.00 0.00 179.45 181.27 2gtc h GLN 71 N -0.27 0.85 0.00 3.15 4.20 -1.00 0.19 115.11 122.23 2gtc h GLN 71 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2gtc h GLN 71 Cb 0.56 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2gtc h GLN 71 CO -0.69 0.56 0.00 1.63 -0.67 0.00 0.00 178.83 179.66 2gtc n LYS 72 N -4.70 0.61 -0.49 1.46 5.02 -0.78 -4.88 118.16 114.41 2gtc n LYS 72 Ca 0.21 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2gtc n LYS 72 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2gtc n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gtc n GLY 73 N 0.86 0.75 3.78 0.72 0.00 0.67 -5.05 105.19 106.93 2gtc n GLY 73 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2gtc n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gtc s ALA 74 N -2.24 2.67 0.00 4.61 0.00 -0.14 -4.85 121.76 121.82 2gtc s ALA 74 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2gtc s ALA 74 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2gtc s ALA 74 CO 0.00 -0.84 0.77 0.27 0.00 0.00 0.00 175.76 175.97 2gtc n ASN 75 N -1.57 1.22 -3.60 0.00 6.94 -0.56 -4.30 115.26 113.40 2gtc n ASN 75 Ca 0.11 -1.58 -0.14 0.00 -0.02 0.00 0.00 54.58 52.94 2gtc n ASN 75 Cb 0.51 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.87 2gtc n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2gtc s ALA 76 N -0.58 -1.29 -0.12 -2.53 0.00 -0.62 -4.15 121.76 112.47 2gtc s ALA 76 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2gtc s ALA 76 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.40 2gtc s ALA 76 CO 0.00 -0.44 -0.16 0.42 0.00 0.00 0.00 175.76 175.58 2gtc s ILE 77 N -2.06 1.59 0.40 0.00 1.01 0.24 -0.55 121.20 121.83 2gtc s ILE 77 Ca -0.08 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 59.96 2gtc s ILE 77 Cb -0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2gtc s ILE 77 CO 0.01 0.46 0.16 0.68 0.00 0.00 0.00 174.94 176.26 2gtc s VAL 78 N 1.03 2.41 -1.35 2.92 -7.23 -0.85 -1.17 120.40 116.16 2gtc s VAL 78 Ca -0.05 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2gtc s VAL 78 Cb -0.15 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 33.84 2gtc s VAL 78 CO -0.03 -0.04 1.03 0.61 -0.31 0.00 0.00 175.10 176.37 2gtc n GLY 79 N -1.21 -0.46 3.74 2.32 0.00 0.14 -0.72 105.19 109.00 2gtc n GLY 79 Ca -0.01 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2gtc n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gtc s VAL 80 N -3.38 4.49 -0.06 1.61 1.01 -0.70 -4.35 120.40 119.04 2gtc s VAL 80 Ca 0.39 1.94 0.06 0.00 0.00 0.00 0.00 61.98 64.37 2gtc s VAL 80 Cb -0.18 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 2gtc s VAL 80 CO 0.76 0.36 -0.23 -0.62 0.00 0.00 0.00 175.10 175.37 2gtc s ASP 81 N -0.23 2.88 -0.33 3.32 3.68 -0.00 -4.32 116.67 121.66 2gtc s ASP 81 Ca 0.43 -0.48 -0.04 0.00 2.13 0.00 0.00 52.55 54.59 2gtc s ASP 81 Cb -0.23 -0.83 0.05 0.00 -1.45 0.00 0.00 42.92 40.46 2gtc s ASP 81 CO 0.28 0.22 0.08 -0.69 0.13 0.00 0.00 175.17 175.19 2gtc s VAL 82 N -0.09 3.46 0.37 1.11 1.01 -1.26 -1.50 120.40 123.50 2gtc s VAL 82 Ca -0.05 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 60.69 2gtc s VAL 82 Cb -0.14 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 2gtc s VAL 82 CO 0.04 -0.21 -0.05 1.51 0.00 0.00 0.00 175.10 176.39 2gtc s ASP 83 N 1.42 3.80 0.00 3.32 1.47 0.12 -5.00 116.67 121.80 2gtc s ASP 83 Ca -0.02 -1.27 0.05 0.00 1.18 0.00 0.00 52.55 52.49 2gtc s ASP 83 Cb -0.20 -0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 41.99 2gtc s ASP 83 CO 0.01 -0.31 -0.15 -0.31 0.68 0.00 0.00 175.17 175.09 2gtc s TYR 84 N -2.65 1.31 -0.12 2.11 1.51 -1.26 -0.93 117.35 117.32 2gtc s TYR 84 Ca 0.34 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 56.11 2gtc s TYR 84 Cb 0.06 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 41.12 2gtc s TYR 84 CO 0.17 -0.01 0.01 -1.21 -1.11 0.00 0.00 175.55 173.41 2gtc s GLU 85 N -0.52 0.65 -1.09 -0.62 0.41 -1.26 -4.99 118.70 111.28 2gtc s GLU 85 Ca 0.05 -0.09 -0.22 0.00 -0.41 0.00 0.00 54.97 54.30 2gtc s GLU 85 Cb -0.06 -1.41 0.06 0.00 -1.78 0.00 0.00 34.13 30.94 2gtc s GLU 85 CO -0.00 -0.42 1.51 0.08 -0.49 0.00 0.00 175.26 175.94 2gtc s VAL 86 N 1.93 4.00 0.24 2.63 1.01 -1.26 -4.24 120.40 124.71 2gtc s VAL 86 Ca 0.03 -1.08 0.21 0.00 0.00 0.00 0.00 61.98 61.14 2gtc s VAL 86 Cb -0.14 -5.09 0.19 0.00 0.00 0.00 0.00 36.38 31.35 2gtc s VAL 86 CO -0.06 -1.95 1.85 -0.37 0.00 0.00 0.00 175.10 174.57 2gtc h VAL 87 N 6.45 0.77 -1.45 2.92 -1.51 -1.92 -3.45 116.25 118.06 2gtc h VAL 87 Ca 0.26 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 2gtc h VAL 87 Cb 0.97 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2gtc h VAL 87 CO 1.43 0.27 0.00 -1.14 -1.23 0.00 0.00 177.57 176.90 2gtc n ARG 88 N -3.59 0.91 0.17 5.19 0.00 -1.26 -5.02 116.66 113.06 2gtc n ARG 88 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.70 2gtc n ARG 88 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.79 2gtc n ARG 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2gtc h ASP 89 N 0.00 -0.33 -2.20 6.15 3.32 -2.03 -3.48 116.42 117.84 2gtc h ASP 89 Ca 0.00 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 2gtc h ASP 89 Cb 0.00 0.09 0.08 0.00 0.22 0.00 0.00 39.33 39.72 2gtc h ASP 89 CO 0.00 -0.11 0.03 0.61 -1.72 0.00 0.00 179.24 178.05 2gtc n GLY 90 N -0.85 -2.75 0.00 2.75 0.00 -1.26 -5.03 105.19 98.05 2gtc n GLY 90 Ca -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2gtc n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gtc n LEU 92 N 0.00 0.00 -3.68 0.99 7.94 -1.26 -4.75 117.00 116.24 2gtc n LEU 92 Ca 0.06 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 2gtc n LEU 92 Cb 0.24 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.09 2gtc n LEU 92 CO 0.17 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.99 2gtc s VAL 94 N -2.74 -0.36 -0.11 1.96 0.11 -0.65 -4.45 120.40 114.17 2gtc s VAL 94 Ca 0.00 0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 2gtc s VAL 94 Cb 0.00 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2gtc s VAL 94 CO 0.00 0.07 -0.23 0.00 -3.33 0.00 0.00 175.10 171.61 2gtc s ALA 95 N 2.08 2.22 -0.07 1.54 0.00 -0.11 -2.50 121.76 124.92 2gtc s ALA 95 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2gtc s ALA 95 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2gtc s ALA 95 CO -0.12 0.24 -0.10 0.14 0.00 0.00 0.00 175.76 175.92 2gtc s VAL 96 N 0.42 3.40 0.13 0.00 -7.23 0.02 -0.70 120.40 116.44 2gtc s VAL 96 Ca -0.16 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2gtc s VAL 96 Cb -0.17 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2gtc s VAL 96 CO 0.07 0.58 -0.06 -0.94 -0.31 0.00 0.00 175.10 174.44 2gtc s SER 97 N -0.60 1.40 0.00 4.85 1.04 -0.56 -1.65 113.70 118.18 2gtc s SER 97 Ca 0.09 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2gtc s SER 97 Cb -0.11 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2gtc s SER 97 CO 0.02 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2gtc n GLY 98 N -0.15 0.13 3.31 7.32 0.00 -0.83 -0.82 105.19 114.15 2gtc n GLY 98 Ca -0.10 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 2gtc n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtc s THR 99 N -2.00 3.82 0.01 2.61 2.01 0.10 -0.60 115.64 121.59 2gtc s THR 99 Ca 0.00 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 2gtc s THR 99 Cb 0.00 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 2gtc s THR 99 CO 0.00 -0.01 1.68 0.00 -0.69 0.00 0.00 174.62 175.60 2gtc s ALA 100 N 1.45 3.64 0.04 7.40 0.00 0.61 -2.02 121.76 132.88 2gtc s ALA 100 Ca 0.01 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.09 2gtc s ALA 100 Cb -0.18 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 2gtc s ALA 100 CO 0.02 -1.29 -0.11 0.08 0.00 0.00 0.00 175.76 174.46 2gtc s VAL 101 N 3.48 0.86 -0.19 0.00 1.01 0.28 -1.52 120.40 124.33 2gtc s VAL 101 Ca 0.75 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2gtc s VAL 101 Cb -0.37 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2gtc s VAL 101 CO 0.32 -0.12 -0.07 -0.60 0.00 0.00 0.00 175.10 174.63 2gtc s ARG 102 N -1.21 3.39 0.00 2.72 3.52 -0.83 -1.50 118.95 125.05 2gtc s ARG 102 Ca -0.02 -0.64 0.10 0.00 -0.13 0.00 0.00 55.73 55.04 2gtc s ARG 102 Cb -0.08 -2.89 0.08 0.00 -1.56 0.00 0.00 34.95 30.50 2gtc s ARG 102 CO 0.01 -0.06 0.83 0.44 -0.81 0.00 0.00 175.30 175.71