#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi7 h VAL 34 N 0.00 0.68 0.00 3.53 -1.51 -2.00 0.78 116.25 117.73 3gi7 h VAL 34 Ca 0.00 -0.58 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 3gi7 h VAL 34 Cb 0.00 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3gi7 h VAL 34 CO 0.00 0.14 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.05 3gi7 h GLU 35 N 0.00 0.00 0.00 5.19 3.07 -1.98 -3.37 114.58 117.49 3gi7 h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gi7 h GLU 35 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3gi7 h GLU 35 CO 0.02 0.10 0.00 0.25 -1.40 0.00 0.00 179.01 177.98 3gi7 n THR 36 N -3.26 0.00 -3.18 1.13 -2.24 -0.76 -4.76 114.28 101.22 3gi7 n THR 36 Ca 0.00 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 3gi7 n THR 36 Cb 0.35 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 3gi7 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gi7 s ASP 37 N -0.19 6.70 0.14 3.42 2.15 0.19 -4.96 116.67 124.12 3gi7 s ASP 37 Ca 0.00 0.84 -0.14 0.00 0.43 0.00 0.00 52.55 53.68 3gi7 s ASP 37 Cb 0.00 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3gi7 s ASP 37 CO 0.00 -0.18 1.62 -0.61 -0.17 0.00 0.00 175.17 175.84 3gi7 h GLN 38 N 7.23 0.73 -0.65 4.34 4.15 -1.96 -2.81 115.11 126.14 3gi7 h GLN 38 Ca -0.35 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 58.80 3gi7 h GLN 38 Cb 1.16 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 3gi7 h GLN 38 CO 0.76 0.75 0.09 0.37 -1.93 0.00 0.00 178.83 178.87 3gi7 h GLN 39 N 0.60 1.07 -0.18 1.69 4.15 -1.98 0.53 115.11 120.98 3gi7 h GLN 39 Ca 0.14 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.30 3gi7 h GLN 39 Cb 0.37 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3gi7 h GLN 39 CO 0.01 0.99 -0.04 1.15 -1.93 0.00 0.00 178.83 179.01 3gi7 h THR 40 N 1.00 0.82 0.20 2.39 2.02 -1.93 0.38 112.91 117.79 3gi7 h THR 40 Ca 0.20 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3gi7 h THR 40 Cb 0.45 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gi7 h THR 40 CO 0.02 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 175.95 3gi7 h PHE 41 N 0.00 -0.28 -0.52 3.16 3.57 -1.23 -1.73 116.94 119.92 3gi7 h PHE 41 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3gi7 h PHE 41 Cb 0.13 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3gi7 h PHE 41 CO -0.20 -0.17 0.25 0.00 -2.23 0.00 0.00 178.31 175.96 3gi7 h ALA 42 N 0.51 0.67 -0.05 2.41 0.00 -0.67 -2.61 119.26 119.51 3gi7 h ALA 42 Ca -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3gi7 h ALA 42 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gi7 h ALA 42 CO 0.03 0.23 -0.62 0.00 0.00 0.00 0.00 179.25 178.89 3gi7 h ALA 44 N 1.21 0.59 -0.33 0.00 0.00 -1.17 0.52 119.26 120.08 3gi7 h ALA 44 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3gi7 h ALA 44 Cb 1.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gi7 h ALA 44 CO 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 3gi7 h ALA 45 N 1.12 0.45 -0.44 0.00 0.00 -1.26 -2.33 119.26 116.80 3gi7 h ALA 45 Ca 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3gi7 h ALA 45 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gi7 h ALA 45 CO -0.03 0.25 0.17 0.35 0.00 0.00 0.00 179.25 179.99 3gi7 h PHE 46 N 0.41 0.67 -0.32 0.00 3.04 -0.92 -2.57 116.94 117.25 3gi7 h PHE 46 Ca 0.09 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 3gi7 h PHE 46 Cb 0.50 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 3gi7 h PHE 46 CO 0.04 0.58 0.00 -0.97 -2.02 0.00 0.00 178.31 175.94 3gi7 h ASN 47 N 0.56 0.46 -0.65 0.41 -1.24 -0.87 -1.43 115.58 112.82 3gi7 h ASN 47 Ca 0.15 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 3gi7 h ASN 47 Cb 0.19 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 3gi7 h ASN 47 CO -0.01 0.52 0.37 0.50 -1.29 0.00 0.00 177.43 177.52 3gi7 h LYS 48 N 0.47 0.90 -0.47 6.67 3.64 -1.20 -0.33 116.57 126.25 3gi7 h LYS 48 Ca 0.10 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3gi7 h LYS 48 Cb 0.30 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3gi7 h LYS 48 CO 0.01 0.67 0.07 1.96 -2.27 0.00 0.00 179.45 179.88 3gi7 h GLN 49 N 0.89 0.78 -0.48 1.90 4.20 -0.95 -1.15 115.11 120.30 3gi7 h GLN 49 Ca 0.23 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3gi7 h GLN 49 Cb 0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3gi7 h GLN 49 CO -0.04 0.79 0.30 0.28 -0.67 0.00 0.00 178.83 179.49 3gi7 h VAL 50 N 0.64 1.14 -0.73 -0.54 2.07 -1.15 -1.35 116.25 116.33 3gi7 h VAL 50 Ca 0.14 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3gi7 h VAL 50 Cb 0.40 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3gi7 h VAL 50 CO 0.01 0.14 0.29 0.00 0.02 0.00 0.00 177.57 178.03 3gi7 h ALA 51 N 1.15 0.95 -0.50 1.67 0.00 -0.87 0.70 119.26 122.36 3gi7 h ALA 51 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3gi7 h ALA 51 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3gi7 h ALA 51 CO -0.03 0.58 -0.10 0.93 0.00 0.00 0.00 179.25 180.62 3gi7 h GLU 52 N 1.05 0.91 -0.39 0.00 5.08 -1.02 -0.45 114.58 119.76 3gi7 h GLU 52 Ca 0.24 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3gi7 h GLU 52 Cb 0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3gi7 h GLU 52 CO -0.02 0.96 -0.15 0.00 -1.00 0.00 0.00 179.01 178.81 3gi7 h ARG 53 N 0.82 0.80 -0.60 2.33 -0.00 -0.77 -1.51 114.38 115.44 3gi7 h ARG 53 Ca 0.13 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.98 59.24 3gi7 h ARG 53 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.53 3gi7 h ARG 53 CO 0.04 0.95 0.18 0.93 0.00 0.00 0.00 179.97 182.07 3gi7 h GLU 54 N 0.60 0.91 -0.30 0.04 5.08 -0.73 -1.66 114.58 118.53 3gi7 h GLU 54 Ca 0.09 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3gi7 h GLU 54 Cb 0.69 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3gi7 h GLU 54 CO 0.05 0.79 0.08 1.25 -1.00 0.00 0.00 179.01 180.18 3gi7 h LEU 55 N 0.89 0.45 -0.83 1.33 5.85 -0.92 -0.90 115.31 121.17 3gi7 h LEU 55 Ca 0.20 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3gi7 h LEU 55 Cb 0.27 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3gi7 h LEU 55 CO -0.01 0.55 0.51 -0.61 -0.34 0.00 0.00 178.44 178.54 3gi7 h GLN 56 N 0.32 0.89 -0.74 1.25 5.75 -1.01 0.74 115.11 122.31 3gi7 h GLN 56 Ca 0.09 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3gi7 h GLN 56 Cb 0.28 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3gi7 h GLN 56 CO -0.00 0.59 0.36 0.77 -2.65 0.00 0.00 178.83 177.90 3gi7 h SER 57 N 0.92 0.96 -0.65 -0.69 0.02 -1.04 -0.65 113.55 112.42 3gi7 h SER 57 Ca 0.37 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3gi7 h SER 57 Cb 0.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3gi7 h SER 57 CO -0.18 0.82 0.25 0.00 -1.14 0.00 0.00 176.83 176.58 3gi7 h ALA 58 N 1.18 0.84 -0.30 3.77 0.00 -0.27 -1.12 119.26 123.36 3gi7 h ALA 58 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gi7 h ALA 58 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gi7 h ALA 58 CO -0.03 0.46 0.15 -0.92 0.00 0.00 0.00 179.25 178.91 3gi7 h TYR 59 N 0.91 0.43 -0.61 0.00 3.20 -0.58 -0.68 116.97 119.63 3gi7 h TYR 59 Ca 0.21 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3gi7 h TYR 59 Cb 0.21 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3gi7 h TYR 59 CO 0.01 0.38 0.17 -0.44 -1.64 0.00 0.00 178.16 176.65 3gi7 h ASP 60 N 0.35 0.91 -0.76 -2.11 3.32 -1.00 -1.91 116.42 115.24 3gi7 h ASP 60 Ca 0.10 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3gi7 h ASP 60 Cb 0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3gi7 h ASP 60 CO -0.01 0.89 0.29 -0.08 -1.72 0.00 0.00 179.24 178.61 3gi7 h GLU 61 N 0.89 1.14 -0.44 3.56 4.81 -1.11 -2.76 114.58 120.67 3gi7 h GLU 61 Ca 0.20 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3gi7 h GLU 61 Cb 0.32 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3gi7 h GLU 61 CO -0.00 0.94 0.19 1.25 -0.73 0.00 0.00 179.01 180.66 3gi7 h LEU 62 N 1.10 0.60 -0.40 1.64 5.85 -0.49 0.05 115.31 123.66 3gi7 h LEU 62 Ca 0.25 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3gi7 h LEU 62 Cb 0.24 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3gi7 h LEU 62 CO -0.02 0.58 0.02 0.40 -0.34 0.00 0.00 178.44 179.08 3gi7 h ILE 63 N 0.57 0.72 -0.58 4.05 1.08 -1.26 -2.43 117.51 119.67 3gi7 h ILE 63 Ca 0.15 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.52 3gi7 h ILE 63 Cb 0.16 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3gi7 h ILE 63 CO -0.02 0.02 0.12 -0.33 -0.69 0.00 0.00 178.15 177.26 3gi7 h GLU 64 N 0.13 0.94 -0.96 2.37 3.07 -1.23 -0.72 114.58 118.18 3gi7 h GLU 64 Ca 0.19 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3gi7 h GLU 64 Cb 0.27 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3gi7 h GLU 64 CO -0.31 0.88 0.00 0.54 -1.40 0.00 0.00 179.01 178.72 3gi7 n ARG 65 N -4.36 0.26 0.00 2.33 1.74 -0.02 -0.99 116.66 115.62 3gi7 n ARG 65 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3gi7 n ARG 65 Cb 0.25 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3gi7 n ARG 65 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3gi7 n ARG 67 N 0.61 0.00 -0.27 5.56 0.63 -0.28 -1.96 116.66 120.95 3gi7 n ARG 67 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3gi7 n ARG 67 Cb 0.09 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.36 3gi7 n ARG 67 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3gi7 h ASP 68 N 0.00 0.68 0.29 6.15 3.32 -1.32 0.34 116.42 125.87 3gi7 h ASP 68 Ca 0.00 0.04 -0.33 0.00 0.02 0.00 0.00 57.03 56.75 3gi7 h ASP 68 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3gi7 h ASP 68 CO 0.00 0.36 -1.80 1.56 -1.72 0.00 0.00 179.24 177.64 3gi7 h GLN 69 N 0.73 0.22 0.00 3.56 4.20 -1.67 -3.41 115.11 118.73 3gi7 h GLN 69 Ca 0.43 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3gi7 h GLN 69 Cb 0.63 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3gi7 h GLN 69 CO -0.20 1.05 0.00 1.19 -0.67 0.00 0.00 178.83 180.21 3gi7 n PHE 70 N -3.40 0.00 -4.69 2.96 3.72 -1.19 -5.13 117.46 109.73 3gi7 n PHE 70 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3gi7 n PHE 70 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3gi7 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gi7 n GLY 71 N 0.41 -0.85 2.49 1.37 0.00 0.12 -3.82 105.19 104.90 3gi7 n GLY 71 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3gi7 n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gi7 n ASP 72 N -1.86 6.83 -4.75 1.61 8.00 -1.26 -4.28 116.55 120.83 3gi7 n ASP 72 Ca 0.00 -2.71 -0.41 0.00 0.71 0.00 0.00 54.79 52.37 3gi7 n ASP 72 Cb 0.00 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.12 39.51 3gi7 n ASP 72 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3gi7 n GLU 73 N 4.42 2.48 -1.68 -1.24 2.13 -1.25 -4.80 120.64 120.71 3gi7 n GLU 73 Ca 0.67 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.94 3gi7 n GLU 73 Cb 0.29 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.42 3gi7 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gi7 n ALA 74 N 0.37 2.09 0.00 4.31 0.00 -1.26 -1.85 120.51 124.17 3gi7 n ALA 74 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3gi7 n ALA 74 Cb 0.38 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3gi7 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gi7 n GLY 75 N 4.34 2.30 0.33 0.00 0.00 -1.26 -5.06 105.19 105.83 3gi7 n GLY 75 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3gi7 n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gi7 n LEU 76 N 0.00 0.29 0.00 0.99 7.94 -0.77 -1.22 117.00 124.23 3gi7 n LEU 76 Ca 0.00 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3gi7 n LEU 76 Cb 0.00 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 43.80 3gi7 n LEU 76 CO 0.00 0.07 0.00 -1.54 -1.11 0.00 0.00 177.39 174.81 3gi7 n SER 78 N 0.01 0.00 -0.22 1.96 3.41 -1.26 -1.73 113.62 115.79 3gi7 n SER 78 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3gi7 n SER 78 Cb 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3gi7 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gi7 h ARG 79 N 0.00 1.08 -0.44 4.33 3.08 -1.59 0.67 114.38 121.51 3gi7 h ARG 79 Ca 0.00 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 3gi7 h ARG 79 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3gi7 h ARG 79 CO 0.00 1.03 0.09 0.82 -1.07 0.00 0.00 179.97 180.83 3gi7 h ILE 80 N 0.99 1.24 -0.60 2.04 2.04 -1.60 -1.17 117.51 120.45 3gi7 h ILE 80 Ca 0.18 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 3gi7 h ILE 80 Cb 0.51 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3gi7 h ILE 80 CO 0.02 0.30 0.13 -0.08 0.00 0.00 0.00 178.15 178.52 3gi7 h GLU 81 N 0.58 0.97 -0.39 2.37 4.81 -1.80 -1.90 114.58 119.22 3gi7 h GLU 81 Ca 0.13 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3gi7 h GLU 81 Cb 0.35 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3gi7 h GLU 81 CO 0.01 0.90 0.19 0.00 -0.73 0.00 0.00 179.01 179.38 3gi7 h ALA 82 N 1.03 0.50 -0.50 2.92 0.00 -0.74 -1.70 119.26 120.78 3gi7 h ALA 82 Ca 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gi7 h ALA 82 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3gi7 h ALA 82 CO 0.01 0.06 0.31 0.00 0.00 0.00 0.00 179.25 179.63 3gi7 h ALA 83 N 1.04 0.64 -0.32 0.00 0.00 -1.12 -2.00 119.26 117.50 3gi7 h ALA 83 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3gi7 h ALA 83 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gi7 h ALA 83 CO -0.02 0.03 -0.12 1.49 0.00 0.00 0.00 179.25 180.63 3gi7 h GLU 84 N 0.62 0.55 -0.17 0.00 4.57 -1.07 0.34 114.58 119.43 3gi7 h GLU 84 Ca 0.19 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3gi7 h GLU 84 Cb -0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3gi7 h GLU 84 CO -0.07 0.67 0.09 -0.22 -1.18 0.00 0.00 179.01 178.30 3gi7 h LYS 85 N 0.51 0.24 -0.82 1.92 3.64 -0.99 -1.52 116.57 119.54 3gi7 h LYS 85 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3gi7 h LYS 85 Cb 0.51 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3gi7 h LYS 85 CO 0.03 0.24 0.36 0.28 -2.27 0.00 0.00 179.45 178.09 3gi7 h VAL 86 N 0.18 1.26 -0.80 2.00 2.07 -0.99 -2.73 116.25 117.24 3gi7 h VAL 86 Ca 0.06 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.87 3gi7 h VAL 86 Cb 0.07 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 3gi7 h VAL 86 CO -0.01 0.33 0.47 -0.25 0.02 0.00 0.00 177.57 178.13 3gi7 h TRP 87 N 1.19 0.86 -0.32 1.57 7.01 -0.59 0.23 115.95 125.90 3gi7 h TRP 87 Ca 0.28 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.22 3gi7 h TRP 87 Cb 0.18 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 3gi7 h TRP 87 CO 0.02 0.38 -0.16 0.66 -2.79 0.00 0.00 178.44 176.55 3gi7 h SER 88 N 0.82 0.56 -0.49 2.65 4.64 -1.00 0.19 113.55 120.93 3gi7 h SER 88 Ca 0.37 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3gi7 h SER 88 Cb 0.28 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3gi7 h SER 88 CO -0.22 0.74 0.09 1.56 -0.87 0.00 0.00 176.83 178.14 3gi7 h GLN 89 N 0.52 0.79 -0.54 4.77 4.20 -1.00 -2.74 115.11 121.11 3gi7 h GLN 89 Ca 0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3gi7 h GLN 89 Cb 0.57 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3gi7 h GLN 89 CO 0.04 0.79 0.29 1.25 -0.67 0.00 0.00 178.83 180.52 3gi7 h LEU 90 N 0.67 0.68 -0.43 1.46 5.85 -0.38 -1.62 115.31 121.54 3gi7 h LEU 90 Ca 0.15 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3gi7 h LEU 90 Cb 0.37 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3gi7 h LEU 90 CO 0.01 0.59 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.51 3gi7 h ARG 91 N 0.72 0.01 -0.37 1.25 2.43 -0.56 0.27 114.38 118.15 3gi7 h ARG 91 Ca 0.19 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3gi7 h ARG 91 Cb 0.07 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3gi7 h ARG 91 CO -0.03 0.01 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.89 3gi7 h ASP 92 N 0.01 0.73 -0.33 -3.80 3.32 -1.35 -0.81 116.42 114.20 3gi7 h ASP 92 Ca 0.21 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3gi7 h ASP 92 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3gi7 h ASP 92 CO -0.43 0.93 0.19 0.00 -1.72 0.00 0.00 179.24 178.21 3gi7 h ALA 93 N 0.82 0.41 -0.68 3.45 0.00 -0.69 -1.03 119.26 121.53 3gi7 h ALA 93 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3gi7 h ALA 93 Cb 0.62 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3gi7 h ALA 93 CO 0.04 -0.17 0.16 -0.44 0.00 0.00 0.00 179.25 178.84 3gi7 h ASP 94 N 0.39 1.03 0.39 0.00 3.32 -0.40 -2.71 116.42 118.44 3gi7 h ASP 94 Ca 0.13 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3gi7 h ASP 94 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3gi7 h ASP 94 CO -0.06 0.99 -0.40 0.00 -1.72 0.00 0.00 179.24 178.05 3gi7 h LYS 96 N 0.02 0.74 0.03 0.00 1.57 -0.90 -1.26 116.57 116.76 3gi7 h LYS 96 Ca -0.00 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3gi7 h LYS 96 Cb 0.71 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3gi7 h LYS 96 CO 0.05 0.73 -0.02 0.28 -0.57 0.00 0.00 179.45 179.93 3gi7 h VAL 97 N 0.70 1.26 -0.45 0.50 2.07 -1.09 -2.97 116.25 116.27 3gi7 h VAL 97 Ca 0.14 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3gi7 h VAL 97 Cb 0.39 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3gi7 h VAL 97 CO 0.01 0.24 0.30 -0.33 0.02 0.00 0.00 177.57 177.81 3gi7 h GLU 98 N -0.45 0.52 -0.62 1.57 5.08 -0.77 -1.88 114.58 118.03 3gi7 h GLU 98 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3gi7 h GLU 98 Cb 0.42 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gi7 h GLU 98 CO 0.01 0.34 0.00 0.25 -1.00 0.00 0.00 179.01 178.61 3gi7 n THR 99 N -4.48 1.16 0.22 1.13 -2.24 -0.50 -4.63 114.28 104.94 3gi7 n THR 99 Ca 0.04 -0.88 0.12 0.00 -2.27 0.00 0.00 64.05 61.07 3gi7 n THR 99 Cb 0.11 0.22 0.72 0.00 -2.10 0.00 0.00 70.33 69.28 3gi7 n THR 99 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3gi7 h HIS 100 N 3.43 0.00 -0.00 4.78 2.07 -1.16 -1.11 115.15 123.15 3gi7 h HIS 100 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gi7 h HIS 100 Cb 1.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.00 3gi7 h HIS 100 CO 0.52 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 175.08 3gi7 n ALA 101 N -2.49 3.15 -2.83 6.11 0.00 -1.26 -4.87 120.51 118.32 3gi7 n ALA 101 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 3gi7 n ALA 101 Cb 0.20 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3gi7 n ALA 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gi7 s GLU 102 N -2.70 3.47 -0.28 0.00 0.41 -0.42 -5.06 118.70 114.11 3gi7 s GLU 102 Ca 0.20 -0.53 -0.22 0.00 -0.41 0.00 0.00 54.97 54.01 3gi7 s GLU 102 Cb 0.19 -2.81 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 3gi7 s GLU 102 CO 0.58 0.34 0.70 -1.14 -0.49 0.00 0.00 175.26 175.24 3gi7 s GLN 103 N -3.92 4.01 0.06 1.61 0.74 -1.26 -4.99 119.66 115.91 3gi7 s GLN 103 Ca 0.37 0.53 -0.37 0.00 0.05 0.00 0.00 55.36 55.94 3gi7 s GLN 103 Cb -0.10 -3.70 -0.17 0.00 1.10 0.00 0.00 33.01 30.15 3gi7 s GLN 103 CO 0.31 -0.56 1.36 -2.30 -0.55 0.00 0.00 175.29 173.55 3gi7 n PRO 104 N 5.95 1.12 0.00 1.67 -0.02 -1.26 -1.26 135.00 141.20 3gi7 n PRO 104 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3gi7 n PRO 104 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3gi7 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi7 n GLY 105 N 2.59 2.37 3.81 -1.23 0.00 -1.26 -5.05 105.19 106.41 3gi7 n GLY 105 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3gi7 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi7 s SER 106 N -1.72 4.92 0.16 1.61 1.04 -0.39 -4.78 113.70 114.55 3gi7 s SER 106 Ca 0.00 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.79 3gi7 s SER 106 Cb 0.00 -2.33 0.09 0.00 0.10 0.00 0.00 66.02 63.88 3gi7 s SER 106 CO 0.00 -1.72 1.67 0.78 0.98 0.00 0.00 173.24 174.95 3gi7 h ASN 107 N -0.91 -0.36 -0.80 7.02 4.21 -1.88 0.11 115.58 122.96 3gi7 h ASN 107 Ca -0.45 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.14 3gi7 h ASN 107 Cb 1.23 0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 38.64 3gi7 h ASN 107 CO 0.57 -0.13 0.37 0.00 -1.29 0.00 0.00 177.43 176.96 3gi7 h ALA 108 N 1.39 1.13 -0.19 -0.83 0.00 -1.86 -0.83 119.26 118.07 3gi7 h ALA 108 Ca 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3gi7 h ALA 108 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gi7 h ALA 108 CO -0.40 0.65 -0.02 -0.92 0.00 0.00 0.00 179.25 178.56 3gi7 h TYR 109 N 1.16 0.39 -0.57 0.00 5.03 -1.64 -1.07 116.97 120.26 3gi7 h TYR 109 Ca 0.28 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 3gi7 h TYR 109 Cb 0.14 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 3gi7 h TYR 109 CO 0.02 0.58 0.28 1.96 -1.32 0.00 0.00 178.16 179.68 3gi7 h GLN 110 N 0.09 0.82 -0.33 1.82 1.08 -0.40 0.16 115.11 118.35 3gi7 h GLN 110 Ca 0.05 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3gi7 h GLN 110 Cb 0.44 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3gi7 h GLN 110 CO 0.01 0.66 0.19 0.82 -0.95 0.00 0.00 178.83 179.56 3gi7 h ILE 111 N 0.78 1.13 -0.46 2.54 2.04 -1.16 0.49 117.51 122.88 3gi7 h ILE 111 Ca 0.20 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3gi7 h ILE 111 Cb 0.11 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3gi7 h ILE 111 CO -0.03 0.13 0.17 0.00 0.00 0.00 0.00 178.15 178.43 3gi7 h ALA 112 N 1.05 0.60 0.23 1.87 0.00 -0.94 -0.47 119.26 121.61 3gi7 h ALA 112 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gi7 h ALA 112 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gi7 h ALA 112 CO -0.02 0.22 -0.11 2.35 0.00 0.00 0.00 179.25 181.69 3gi7 h TRP 113 N 0.60 -0.29 -0.76 0.00 2.91 -0.59 -0.68 115.95 117.14 3gi7 h TRP 113 Ca 0.15 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 3gi7 h TRP 113 Cb 0.22 0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 3gi7 h TRP 113 CO 0.01 -0.11 0.39 -0.91 -1.03 0.00 0.00 178.44 176.79 3gi7 h ASN 114 N -0.40 0.97 -0.57 2.65 2.35 -0.86 -0.59 115.58 119.14 3gi7 h ASN 114 Ca -0.03 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 3gi7 h ASN 114 Cb 0.30 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3gi7 h ASN 114 CO 0.05 0.80 -0.02 0.28 -1.65 0.00 0.00 177.43 176.89 3gi7 h SER 115 N 1.08 1.02 -0.26 5.81 0.02 -0.97 -0.79 113.55 119.45 3gi7 h SER 115 Ca 0.27 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3gi7 h SER 115 Cb 0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3gi7 h SER 115 CO -0.04 1.08 0.09 0.00 -1.14 0.00 0.00 176.83 176.82 3gi7 h ILE 117 N 0.26 1.15 -0.12 0.00 1.08 -1.00 0.37 117.51 119.25 3gi7 h ILE 117 Ca 0.08 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3gi7 h ILE 117 Cb 0.23 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3gi7 h ILE 117 CO -0.00 0.15 0.05 0.00 -0.69 0.00 0.00 178.15 177.66 3gi7 h ALA 118 N 1.11 0.16 -0.59 1.87 0.00 -0.95 -0.09 119.26 120.78 3gi7 h ALA 118 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gi7 h ALA 118 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gi7 h ALA 118 CO -0.03 -0.25 0.14 0.37 0.00 0.00 0.00 179.25 179.48 3gi7 h GLN 119 N 0.04 0.94 -0.62 0.00 4.15 -0.84 0.30 115.11 119.08 3gi7 h GLN 119 Ca 0.04 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.15 3gi7 h GLN 119 Cb 0.17 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3gi7 h GLN 119 CO -0.00 0.87 0.09 0.00 -1.93 0.00 0.00 178.83 177.86 3gi7 h ARG 120 N 0.85 1.01 -0.54 1.69 2.47 -0.83 -1.45 114.38 117.59 3gi7 h ARG 120 Ca 0.18 -0.27 -0.11 0.00 -1.26 0.00 0.00 59.98 58.53 3gi7 h ARG 120 Cb 0.36 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3gi7 h ARG 120 CO 0.00 0.94 -0.10 0.77 0.56 0.00 0.00 179.97 182.15 3gi7 h SER 121 N 0.95 1.02 -0.41 7.04 0.02 -0.62 -1.00 113.55 120.55 3gi7 h SER 121 Ca 0.19 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3gi7 h SER 121 Cb 0.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3gi7 h SER 121 CO 0.01 1.13 0.20 0.44 -1.14 0.00 0.00 176.83 177.47 3gi7 h ASP 122 N 0.90 0.54 -0.62 3.07 3.32 -0.66 -0.15 116.42 122.82 3gi7 h ASP 122 Ca 0.14 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3gi7 h ASP 122 Cb 0.67 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3gi7 h ASP 122 CO 0.05 0.52 0.41 -0.08 -1.72 0.00 0.00 179.24 178.41 3gi7 h GLU 123 N 0.53 0.80 -0.53 3.56 4.81 -1.12 -1.63 114.58 121.00 3gi7 h GLU 123 Ca 0.14 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3gi7 h GLU 123 Cb 0.12 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3gi7 h GLU 123 CO -0.02 0.53 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.64 3gi7 h ARG 124 N 0.83 0.95 -0.48 1.92 9.65 -0.94 -1.86 114.38 124.45 3gi7 h ARG 124 Ca 0.23 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3gi7 h ARG 124 Cb -0.07 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3gi7 h ARG 124 CO -0.06 0.97 0.20 0.00 2.80 0.00 0.00 179.97 183.88 3gi7 h ALA 125 N 1.06 0.62 -0.51 2.80 0.00 -0.76 -0.37 119.26 122.10 3gi7 h ALA 125 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gi7 h ALA 125 Cb 0.59 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3gi7 h ALA 125 CO 0.04 0.22 0.34 1.49 0.00 0.00 0.00 179.25 181.33 3gi7 h GLU 126 N 0.63 0.67 -0.56 0.00 4.81 -1.11 -1.33 114.58 117.69 3gi7 h GLU 126 Ca 0.16 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3gi7 h GLU 126 Cb 0.18 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3gi7 h GLU 126 CO -0.01 0.45 0.37 -0.92 -0.73 0.00 0.00 179.01 178.16 3gi7 h TYR 127 N 0.69 0.69 -0.64 0.92 3.20 -0.91 -1.20 116.97 119.73 3gi7 h TYR 127 Ca 0.19 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3gi7 h TYR 127 Cb -0.08 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3gi7 h TYR 127 CO -0.04 0.43 0.05 -0.07 -1.64 0.00 0.00 178.16 176.89 3gi7 h LEU 128 N 0.75 1.06 -0.86 2.82 3.38 -0.84 -1.63 115.31 119.99 3gi7 h LEU 128 Ca 0.21 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gi7 h LEU 128 Cb -0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 3gi7 h LEU 128 CO -0.06 1.08 0.56 0.03 0.09 0.00 0.00 178.44 180.15 3gi7 h ARG 129 N 1.00 1.07 -0.12 1.13 3.08 -1.07 -2.79 114.38 116.67 3gi7 h ARG 129 Ca 0.19 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3gi7 h ARG 129 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3gi7 h ARG 129 CO 0.02 0.71 -0.27 0.66 -1.07 0.00 0.00 179.97 180.02 3gi7 h SER 130 N 1.10 0.22 -0.45 7.04 4.64 -0.57 -2.99 113.55 122.55 3gi7 h SER 130 Ca 0.34 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 3gi7 h SER 130 Cb -0.03 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3gi7 h SER 130 CO -0.11 0.49 -0.01 0.25 -0.87 0.00 0.00 176.83 176.59 3gi7 h LEU 131 N 0.20 0.84 -1.30 5.97 5.85 -1.05 -2.76 115.31 123.06 3gi7 h LEU 131 Ca 0.03 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3gi7 h LEU 131 Cb 0.58 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3gi7 h LEU 131 CO 0.04 0.91 -0.30 1.23 -0.34 0.00 0.00 178.44 179.98 3gi7 h GLY 132 N 0.99 0.00 -0.14 3.75 0.00 -1.39 -2.67 103.07 103.60 3gi7 h GLY 132 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3gi7 h GLY 132 CO 0.02 0.00 -0.06 1.44 0.00 0.00 0.00 176.54 177.94 3gi7 n SER 133 N -3.72 1.24 -4.63 0.19 7.64 -1.05 -4.81 113.62 108.49 3gi7 n SER 133 Ca -0.01 -1.28 -0.43 0.00 1.01 0.00 0.00 58.87 58.16 3gi7 n SER 133 Cb 0.40 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3gi7 n SER 133 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3gi7 s GLN 134 N -2.13 3.78 0.00 1.43 -0.21 -1.01 -5.11 119.66 116.41 3gi7 s GLN 134 Ca 0.35 1.48 0.30 0.00 0.02 0.00 0.00 55.36 57.51 3gi7 s GLN 134 Cb 0.21 -4.00 1.48 0.00 1.00 0.00 0.00 33.01 31.69 3gi7 s GLN 134 CO 0.38 -1.30 1.98 0.09 -2.12 0.00 0.00 175.29 174.33