#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcy n ASN -1 N 0.00 0.40 -3.71 6.43 2.04 -1.26 -4.93 115.26 114.23 3hcy n ASN -1 Ca 0.00 0.50 -0.28 0.00 -0.44 0.00 0.00 54.58 54.36 3hcy n ASN -1 Cb 0.00 -0.38 -0.12 0.00 -2.53 0.00 0.00 39.78 36.75 3hcy n ASN -1 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hcy s ALA 0 N 0.99 2.65 -1.10 -2.53 0.00 -1.26 -4.70 121.76 115.81 3hcy s ALA 0 Ca 0.43 -3.07 0.10 0.00 0.00 0.00 0.00 51.96 49.42 3hcy s ALA 0 Cb -0.62 -1.93 0.44 0.00 0.00 0.00 0.00 23.12 21.01 3hcy s ALA 0 CO 0.32 -2.05 1.29 0.44 0.00 0.00 0.00 175.76 175.76 3hcy n ILE 1 N 2.74 1.20 0.04 0.00 -5.35 -1.26 -2.94 119.36 113.78 3hcy n ILE 1 Ca 0.18 0.30 0.01 0.00 -0.27 0.00 0.00 62.75 62.97 3hcy n ILE 1 Cb 0.38 -1.13 0.35 0.00 -1.74 0.00 0.00 39.64 37.50 3hcy n ILE 1 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3hcy h GLU 2 N 0.00 0.44 -0.21 6.28 4.57 -1.97 -0.28 114.58 123.41 3hcy h GLU 2 Ca 0.00 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 3hcy h GLU 2 Cb 0.15 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3hcy h GLU 2 CO 0.00 0.46 -0.52 0.93 -1.18 0.00 0.00 179.01 178.71 3hcy h GLU 3 N 0.43 0.72 -0.58 1.92 4.39 -1.93 -2.92 114.58 116.60 3hcy h GLU 3 Ca 0.10 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.36 3hcy h GLU 3 Cb 0.27 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 3hcy h GLU 3 CO 0.01 1.12 0.29 0.28 -1.16 0.00 0.00 179.01 179.55 3hcy h VAL 4 N 0.44 0.93 -0.64 3.13 2.07 -1.61 0.31 116.25 120.88 3hcy h VAL 4 Ca -0.01 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3hcy h VAL 4 Cb 1.13 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3hcy h VAL 4 CO 0.11 0.10 0.32 1.88 0.02 0.00 0.00 177.57 180.01 3hcy h TYR 5 N 0.55 0.59 -0.20 1.57 0.05 -0.99 -0.36 116.97 118.18 3hcy h TYR 5 Ca 0.26 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.89 3hcy h TYR 5 Cb 0.19 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 3hcy h TYR 5 CO -0.10 0.25 -0.60 0.93 -1.05 0.00 0.00 178.16 177.58 3hcy h GLU 6 N 0.59 0.67 -0.55 4.88 4.39 -1.31 -1.06 114.58 122.20 3hcy h GLU 6 Ca 0.30 -0.46 0.09 0.00 0.34 0.00 0.00 59.36 59.63 3hcy h GLU 6 Cb 0.24 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 3hcy h GLU 6 CO -0.21 1.08 0.18 0.00 -1.16 0.00 0.00 179.01 178.89 3hcy h ALA 7 N 0.82 0.68 -0.45 3.43 0.00 -0.64 0.21 119.26 123.30 3hcy h ALA 7 Ca -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3hcy h ALA 7 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hcy h ALA 7 CO 0.12 -0.23 -0.16 1.15 0.00 0.00 0.00 179.25 180.12 3hcy h THR 8 N 0.34 1.27 -0.97 0.00 2.02 -0.74 0.75 112.91 115.58 3hcy h THR 8 Ca 0.28 -1.30 0.05 0.00 0.77 0.00 0.00 66.41 66.20 3hcy h THR 8 Cb 0.34 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 3hcy h THR 8 CO -0.30 0.45 0.63 -0.07 0.37 0.00 0.00 175.52 176.59 3hcy h LEU 9 N 0.75 1.03 0.06 2.58 3.38 -0.72 0.43 115.31 122.82 3hcy h LEU 9 Ca 0.11 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hcy h LEU 9 Cb 0.72 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3hcy h LEU 9 CO 0.06 0.69 -0.13 0.44 0.09 0.00 0.00 178.44 179.58 3hcy h ASP 10 N 1.19 -0.36 -0.49 -0.43 3.32 0.51 -2.32 116.42 117.84 3hcy h ASP 10 Ca 0.40 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 3hcy h ASP 10 Cb 0.07 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hcy h ASP 10 CO -0.14 -0.19 0.23 0.00 -1.72 0.00 0.00 179.24 177.42 3hcy h ALA 11 N 0.65 0.64 -0.96 3.45 0.00 0.01 -1.79 119.26 121.26 3hcy h ALA 11 Ca 0.03 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.95 3hcy h ALA 11 Cb 0.27 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 3hcy h ALA 11 CO -0.08 0.21 0.58 0.82 0.00 0.00 0.00 179.25 180.78 3hcy h ILE 12 N 0.66 0.82 0.00 0.00 2.04 -0.09 0.27 117.51 121.20 3hcy h ILE 12 Ca 0.17 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3hcy h ILE 12 Cb 0.14 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3hcy h ILE 12 CO -0.02 0.15 -0.71 1.56 0.00 0.00 0.00 178.15 179.13 3hcy h GLN 13 N 0.84 0.00 0.13 2.37 4.20 -0.77 -0.72 115.11 121.17 3hcy h GLN 13 Ca 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.21 3hcy h GLN 13 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3hcy h GLN 13 CO -0.32 0.52 -0.06 0.78 -0.67 0.00 0.00 178.83 179.08 3hcy h GLY 14 N 3.48 -0.19 -0.24 3.46 0.00 -1.11 -2.51 103.07 105.96 3hcy h GLY 14 Ca -0.03 0.07 0.26 0.00 0.00 0.00 0.00 47.33 47.62 3hcy h GLY 14 CO 0.07 -0.07 0.54 0.00 0.00 0.00 0.00 176.54 177.08 3hcy h ALA 15 N -1.19 1.74 0.00 3.60 0.00 -0.54 -3.24 119.26 119.62 3hcy h ALA 15 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hcy h ALA 15 Cb 0.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hcy h ALA 15 CO 0.03 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.21 3hcy n LEU 16 N -4.96 0.30 -3.63 0.00 4.77 -0.28 -5.01 117.00 108.19 3hcy n LEU 16 Ca 0.27 -0.48 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 3hcy n LEU 16 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3hcy n LEU 16 CO 0.14 0.08 -0.21 0.59 -1.33 0.00 0.00 177.39 176.66 3hcy n ASN 17 N -0.36 -3.88 -4.22 -1.43 5.03 -0.94 -4.97 115.26 104.48 3hcy n ASN 17 Ca 0.00 -0.85 -0.23 0.00 0.87 0.00 0.00 54.58 54.38 3hcy n ASN 17 Cb 0.04 -1.31 -0.09 0.00 -1.02 0.00 0.00 39.78 37.39 3hcy n ASN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hcy h ASP 19 N 1.99 0.27 -5.41 0.00 3.32 -1.73 -3.47 116.42 111.40 3hcy h ASP 19 Ca -0.37 -0.54 -0.16 0.00 0.02 0.00 0.00 57.03 55.99 3hcy h ASP 19 Cb 1.26 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 3hcy h ASP 19 CO 0.60 1.47 -0.43 0.00 -1.72 0.00 0.00 179.24 179.16 3hcy s ARG 20 N -2.59 1.24 0.01 3.56 3.03 -1.17 -4.49 118.95 118.54 3hcy s ARG 20 Ca -0.13 -1.41 -0.16 0.00 2.03 0.00 0.00 55.73 56.06 3hcy s ARG 20 Cb 0.07 0.34 0.03 0.00 -1.03 0.00 0.00 34.95 34.36 3hcy s ARG 20 CO 0.81 -0.44 0.35 0.00 -1.13 0.00 0.00 175.30 174.89 3hcy s ALA 21 N -4.07 -0.86 0.05 7.88 0.00 0.38 -0.57 121.76 124.58 3hcy s ALA 21 Ca 0.28 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 3hcy s ALA 21 Cb 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3hcy s ALA 21 CO 0.07 -0.33 -0.01 -1.54 0.00 0.00 0.00 175.76 173.95 3hcy s SER 22 N -1.59 0.43 -0.06 0.00 1.04 0.75 -2.13 113.70 112.14 3hcy s SER 22 Ca -0.10 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.47 3hcy s SER 22 Cb -0.03 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 3hcy s SER 22 CO 0.02 -0.57 -0.22 -0.63 0.98 0.00 0.00 173.24 172.82 3hcy s ILE 23 N -3.60 1.86 0.09 -1.02 1.01 -0.58 0.26 121.20 119.22 3hcy s ILE 23 Ca 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3hcy s ILE 23 Cb 0.05 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3hcy s ILE 23 CO -0.09 0.52 -0.15 -0.76 0.00 0.00 0.00 174.94 174.46 3hcy s LEU 24 N 0.04 2.33 0.05 2.97 1.02 -0.30 -0.50 118.68 124.29 3hcy s LEU 24 Ca -0.08 -0.70 0.02 0.00 0.02 0.00 0.00 54.13 53.39 3hcy s LEU 24 Cb -0.14 -0.55 -0.03 0.00 0.02 0.00 0.00 46.19 45.49 3hcy s LEU 24 CO 0.04 -0.10 -0.07 -0.76 0.02 0.00 0.00 176.35 175.49 3hcy s LEU 25 N -2.04 2.33 0.38 1.79 1.43 -0.18 -1.15 118.68 121.23 3hcy s LEU 25 Ca 0.03 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.18 3hcy s LEU 25 Cb -0.08 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.97 3hcy s LEU 25 CO 0.03 -0.31 1.19 -0.36 0.23 0.00 0.00 176.35 177.13 3hcy s PHE 26 N -2.11 3.10 0.66 0.29 0.08 -1.04 -0.72 117.98 118.24 3hcy s PHE 26 Ca -0.04 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.60 3hcy s PHE 26 Cb -0.05 -3.44 0.12 0.00 -0.57 0.00 0.00 43.02 39.07 3hcy s PHE 26 CO -0.02 -1.37 0.91 0.16 -0.10 0.00 0.00 175.22 174.80 3hcy s ASP 27 N -0.98 4.67 0.12 1.36 1.47 -0.58 -4.92 116.67 117.82 3hcy s ASP 27 Ca 0.54 -0.74 0.13 0.00 1.18 0.00 0.00 52.55 53.66 3hcy s ASP 27 Cb -0.33 0.35 0.61 0.00 -0.34 0.00 0.00 42.92 43.21 3hcy s ASP 27 CO 0.42 -1.66 1.40 -0.62 0.68 0.00 0.00 175.17 175.39 3hcy n GLU 28 N -2.55 0.07 0.00 2.11 -0.58 -1.26 -1.16 120.64 117.26 3hcy n GLU 28 Ca 0.17 0.46 0.13 0.00 -0.42 0.00 0.00 57.16 57.50 3hcy n GLU 28 Cb 0.61 -1.68 0.44 0.00 -0.57 0.00 0.00 31.44 30.25 3hcy n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hcy n ALA 29 N -1.62 2.95 -1.01 0.62 0.00 -1.26 -4.94 120.51 115.25 3hcy n ALA 29 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 3hcy n ALA 29 Cb 0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 3hcy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcy n GLY 30 N 1.30 0.42 3.44 0.00 0.00 -0.31 -5.05 105.19 104.99 3hcy n GLY 30 Ca 0.14 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3hcy n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hcy s THR 31 N -2.02 3.19 0.13 2.61 -4.23 -1.26 -4.89 115.64 109.18 3hcy s THR 31 Ca 0.00 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.57 3hcy s THR 31 Cb 0.00 -2.31 -0.07 0.00 1.34 0.00 0.00 72.50 71.47 3hcy s THR 31 CO 0.00 0.55 1.12 -0.04 -0.54 0.00 0.00 174.62 175.71 3hcy s MET 32 N -0.15 4.54 -0.00 3.99 1.00 -1.26 -1.52 119.30 125.90 3hcy s MET 32 Ca -0.00 1.71 0.04 0.00 0.00 0.00 0.00 55.69 57.44 3hcy s MET 32 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 34.83 31.37 3hcy s MET 32 CO 0.03 -0.03 -0.14 1.03 0.00 0.00 0.00 175.02 175.91 3hcy s ARG 33 N 0.14 1.10 0.07 2.03 1.81 0.10 -4.53 118.95 119.67 3hcy s ARG 33 Ca 0.52 -0.53 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 3hcy s ARG 33 Cb -0.29 -1.07 -0.08 0.00 -0.45 0.00 0.00 34.95 33.07 3hcy s ARG 33 CO 0.33 0.29 1.52 -0.06 -0.68 0.00 0.00 175.30 176.70 3hcy s PHE 34 N -0.39 2.77 -1.34 -0.53 0.08 -1.26 -1.01 117.98 116.29 3hcy s PHE 34 Ca 0.05 0.62 0.16 0.00 0.12 0.00 0.00 56.93 57.88 3hcy s PHE 34 Cb -0.06 -3.82 -0.03 0.00 -0.57 0.00 0.00 43.02 38.55 3hcy s PHE 34 CO -0.00 -3.11 0.82 1.33 -0.10 0.00 0.00 175.22 174.15 3hcy n VAL 35 N 4.49 0.00 -3.64 -0.44 0.24 0.35 -4.90 118.33 114.42 3hcy n VAL 35 Ca 0.14 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 62.07 3hcy n VAL 35 Cb 0.42 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 3hcy n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hcy s ALA 36 N -1.98 -2.07 0.15 2.33 0.00 -1.14 -4.99 121.76 114.06 3hcy s ALA 36 Ca 0.12 1.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.90 3hcy s ALA 36 Cb 0.13 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 3hcy s ALA 36 CO 0.44 -0.24 0.28 0.00 0.00 0.00 0.00 175.76 176.24 3hcy s ALA 37 N 0.42 -0.14 -0.29 0.00 0.00 -1.26 -1.53 121.76 118.96 3hcy s ALA 37 Ca 0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 3hcy s ALA 37 Cb -0.05 0.77 0.16 0.00 0.00 0.00 0.00 23.12 24.00 3hcy s ALA 37 CO -0.09 -0.63 1.21 0.50 0.00 0.00 0.00 175.76 176.76 3hcy s ARG 38 N -3.93 0.29 -0.88 0.00 3.52 -0.90 -4.89 118.95 112.16 3hcy s ARG 38 Ca 0.13 0.36 -0.10 0.00 -0.13 0.00 0.00 55.73 56.00 3hcy s ARG 38 Cb 0.03 0.14 0.23 0.00 -1.56 0.00 0.00 34.95 33.79 3hcy s ARG 38 CO -0.03 -0.04 0.82 0.20 -0.81 0.00 0.00 175.30 175.44 3hcy s GLY 39 N 0.21 2.85 0.17 8.12 0.00 -1.26 -0.47 107.32 116.95 3hcy s GLY 39 Ca 0.04 -3.52 -0.10 0.00 0.00 0.00 0.00 44.72 41.14 3hcy s GLY 39 CO -0.11 1.25 0.50 1.08 0.00 0.00 0.00 173.10 175.82 3hcy s LEU 40 N -0.44 4.25 0.72 0.66 1.43 -1.26 -4.85 118.68 119.19 3hcy s LEU 40 Ca 0.22 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 3hcy s LEU 40 Cb -0.11 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3hcy s LEU 40 CO -0.08 0.03 1.10 -0.94 0.23 0.00 0.00 176.35 176.69 3hcy s SER 41 N -2.10 5.29 0.25 2.29 1.04 -1.26 -4.90 113.70 114.31 3hcy s SER 41 Ca 0.42 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.95 3hcy s SER 41 Cb -0.13 -1.92 0.28 0.00 0.10 0.00 0.00 66.02 64.35 3hcy s SER 41 CO 0.20 -1.44 1.78 -0.33 0.98 0.00 0.00 173.24 174.44 3hcy h GLU 42 N -0.72 0.96 -0.76 4.02 4.39 -1.99 -2.03 114.58 118.45 3hcy h GLU 42 Ca -0.45 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.09 3hcy h GLU 42 Cb 1.26 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 3hcy h GLU 42 CO 0.63 0.86 0.46 1.25 -1.16 0.00 0.00 179.01 181.05 3hcy h HIS 43 N 0.92 0.85 -0.30 4.33 2.76 -2.00 -1.38 115.15 120.33 3hcy h HIS 43 Ca 0.20 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 3hcy h HIS 43 Cb 0.33 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3hcy h HIS 43 CO 0.02 0.44 -0.05 -0.92 -1.30 0.00 0.00 177.93 176.12 3hcy h TYR 44 N 0.85 0.62 -0.49 5.26 5.03 -1.84 -2.43 116.97 123.97 3hcy h TYR 44 Ca 0.33 -0.12 -0.08 0.00 2.58 0.00 0.00 58.73 61.43 3hcy h TYR 44 Cb 0.14 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 3hcy h TYR 44 CO -0.05 0.73 -0.03 1.96 -1.32 0.00 0.00 178.16 179.45 3hcy h GLN 45 N 0.33 0.83 0.28 1.82 4.20 -1.08 -1.80 115.11 119.70 3hcy h GLN 45 Ca 0.08 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3hcy h GLN 45 Cb 0.51 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hcy h GLN 45 CO 0.02 0.85 -0.19 0.00 -0.67 0.00 0.00 178.83 178.85 3hcy h ARG 46 N 0.77 -0.43 -0.63 1.46 3.08 -1.28 -0.55 114.38 116.81 3hcy h ARG 46 Ca 0.14 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.34 3hcy h ARG 46 Cb 0.50 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 3hcy h ARG 46 CO 0.03 -0.29 -0.17 0.00 -1.07 0.00 0.00 179.97 178.47 3hcy n ALA 47 N -2.37 0.12 0.61 0.04 0.00 -0.92 -2.24 120.51 115.75 3hcy n ALA 47 Ca -0.05 0.68 0.11 0.00 0.00 0.00 0.00 53.44 54.18 3hcy n ALA 47 Cb 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 3hcy n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hcy n VAL 48 N -5.01 0.08 -0.29 0.00 0.31 -0.71 -4.68 118.33 108.03 3hcy n VAL 48 Ca 0.10 -0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3hcy n VAL 48 Cb 0.31 0.42 0.26 0.00 -0.91 0.00 0.00 33.84 33.91 3hcy n VAL 48 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3hcy h ASP 49 N 0.00 0.22 1.49 4.52 3.58 -0.63 -0.55 116.42 125.05 3hcy h ASP 49 Ca 0.00 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 3hcy h ASP 49 Cb 0.70 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 3hcy h ASP 49 CO 0.00 -0.01 -0.11 1.23 -2.88 0.00 0.00 179.24 177.47 3hcy h GLY 50 N 0.36 0.00 0.40 -0.78 0.00 -1.83 -3.39 103.07 97.83 3hcy h GLY 50 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3hcy h GLY 50 CO -0.52 0.00 -0.49 1.42 0.00 0.00 0.00 176.54 176.95 3hcy n HIS 51 N -3.17 0.00 0.00 5.60 8.25 -0.21 -4.52 115.22 121.17 3hcy n HIS 51 Ca 0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3hcy n HIS 51 Cb 0.49 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 3hcy n HIS 51 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3hcy h SER 52 N 0.65 -0.01 0.00 0.41 0.02 -1.87 -3.51 113.55 109.24 3hcy h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hcy h SER 52 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3hcy h SER 52 CO 0.00 -0.01 0.00 -0.81 -1.14 0.00 0.00 176.83 174.87 3hcy n PRO 53 N -2.03 0.00 0.00 3.45 -0.04 -1.26 -5.12 135.00 129.99 3hcy n PRO 53 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hcy n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3hcy n PRO 53 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hcy n TRP 54 N 0.00 0.00 -1.61 0.54 4.27 -1.26 -5.19 117.44 114.19 3hcy n TRP 54 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3hcy n TRP 54 Cb 0.00 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 3hcy n TRP 54 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 3hcy n GLU 60 N 0.00 2.20 0.00 -2.67 0.00 -1.26 -4.91 120.64 114.00 3hcy n GLU 60 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.83 3hcy n GLU 60 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 31.44 28.27 3hcy n GLU 60 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3hcy n PRO 61 N 8.41 0.00 -4.10 5.31 -0.02 -1.26 -5.00 135.00 138.34 3hcy n PRO 61 Ca 0.27 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3hcy n PRO 61 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.81 3hcy n PRO 61 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hcy s GLU 62 N 0.00 0.65 0.92 -0.52 2.02 -1.26 -4.99 118.70 115.52 3hcy s GLU 62 Ca 0.00 -1.22 -0.12 0.00 0.02 0.00 0.00 54.97 53.66 3hcy s GLU 62 Cb 0.00 0.10 0.09 0.00 0.10 0.00 0.00 34.13 34.42 3hcy s GLU 62 CO 0.00 -0.08 0.78 -2.30 0.02 0.00 0.00 175.26 173.68 3hcy n PRO 63 N 0.15 -0.32 -3.96 0.39 -0.02 -1.26 -4.68 135.00 125.29 3hcy n PRO 63 Ca -0.14 -0.04 -0.15 0.00 -2.02 0.00 0.00 63.50 61.16 3hcy n PRO 63 Cb 0.61 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 3hcy n PRO 63 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hcy s ILE 64 N -2.47 0.16 -0.12 4.25 1.09 -0.58 -4.99 121.20 118.54 3hcy s ILE 64 Ca 0.63 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.15 3hcy s ILE 64 Cb -0.23 -0.18 0.02 0.00 -1.06 0.00 0.00 42.46 41.02 3hcy s ILE 64 CO 0.62 0.08 -0.11 -0.36 -0.10 0.00 0.00 174.94 175.07 3hcy s PHE 65 N 0.29 1.78 -0.52 3.97 0.08 -1.26 0.02 117.98 122.35 3hcy s PHE 65 Ca -0.03 -0.93 -0.18 0.00 0.12 0.00 0.00 56.93 55.92 3hcy s PHE 65 Cb -0.05 -1.38 0.08 0.00 -0.57 0.00 0.00 43.02 41.11 3hcy s PHE 65 CO -0.01 -0.56 0.56 0.08 -0.10 0.00 0.00 175.22 175.20 3hcy s VAL 66 N 1.50 5.01 -0.01 -0.44 1.01 0.90 -4.92 120.40 123.44 3hcy s VAL 66 Ca 0.03 -0.90 0.22 0.00 0.00 0.00 0.00 61.98 61.32 3hcy s VAL 66 Cb -0.13 -4.30 0.21 0.00 0.00 0.00 0.00 36.38 32.16 3hcy s VAL 66 CO -0.08 -0.82 1.70 -0.33 0.00 0.00 0.00 175.10 175.57 3hcy h GLU 67 N 8.95 0.00 -2.15 2.72 5.08 -1.81 0.12 114.58 127.49 3hcy h GLU 67 Ca -0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3hcy h GLU 67 Cb 1.10 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 3hcy h GLU 67 CO 0.98 0.27 -0.27 1.21 -1.00 0.00 0.00 179.01 180.19 3hcy s ASN 68 N -6.25 -0.67 0.53 1.42 3.84 -1.26 -1.45 114.94 111.10 3hcy s ASN 68 Ca 0.02 1.17 0.31 0.00 0.21 0.00 0.00 52.86 54.57 3hcy s ASN 68 Cb 0.09 1.79 1.46 0.00 -0.55 0.00 0.00 41.25 44.03 3hcy s ASN 68 CO 0.67 -0.23 1.89 -0.37 -2.79 0.00 0.00 177.10 176.26 3hcy h VAL 69 N 6.09 0.56 0.37 -5.21 -1.51 -1.73 -1.79 116.25 113.02 3hcy h VAL 69 Ca -0.17 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.27 3hcy h VAL 69 Cb 1.11 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3hcy h VAL 69 CO 0.13 0.00 -0.18 0.44 -1.23 0.00 0.00 177.57 176.74 3hcy h ASP 70 N 0.03 -0.42 0.00 4.19 3.32 -1.96 -2.87 116.42 118.70 3hcy h ASP 70 Ca 0.43 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 3hcy h ASP 70 Cb 1.67 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 3hcy h ASP 70 CO -0.02 -0.28 0.51 0.47 -1.72 0.00 0.00 179.24 178.20 3hcy n ASP 71 N -3.43 1.07 -3.74 6.45 9.92 -0.68 -4.70 116.55 121.44 3hcy n ASP 71 Ca -0.06 -1.74 -0.12 0.00 -0.53 0.00 0.00 54.79 52.33 3hcy n ASP 71 Cb 0.20 -0.33 -0.13 0.00 -0.64 0.00 0.00 41.12 40.22 3hcy n ASP 71 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hcy s ALA 72 N 2.90 -0.56 -1.30 2.24 0.00 -1.08 -4.74 121.76 119.20 3hcy s ALA 72 Ca 0.13 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 3hcy s ALA 72 Cb 0.06 -0.60 0.12 0.00 0.00 0.00 0.00 23.12 22.70 3hcy s ALA 72 CO -0.00 -0.19 1.80 0.39 0.00 0.00 0.00 175.76 177.76 3hcy n GLU 73 N 4.04 3.31 -3.99 0.00 1.02 -1.26 -4.93 120.64 118.84 3hcy n GLU 73 Ca -0.24 -3.38 -0.24 0.00 -0.02 0.00 0.00 57.16 53.28 3hcy n GLU 73 Cb 0.54 -3.15 -0.06 0.00 -0.02 0.00 0.00 31.44 28.75 3hcy n GLU 73 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hcy s PHE 74 N 2.08 2.54 0.53 -0.32 2.99 -1.26 -5.12 117.98 119.41 3hcy s PHE 74 Ca 0.45 -0.59 -0.19 0.00 0.00 0.00 0.00 56.93 56.59 3hcy s PHE 74 Cb 0.06 -2.00 -0.07 0.00 0.00 0.00 0.00 43.02 41.01 3hcy s PHE 74 CO 0.00 0.06 1.09 -1.54 -0.00 0.00 0.00 175.22 174.82 3hcy s SER 75 N -3.99 5.96 0.52 1.36 1.04 -1.26 -4.91 113.70 112.42 3hcy s SER 75 Ca 0.41 2.04 0.27 0.00 0.48 0.00 0.00 55.95 59.15 3hcy s SER 75 Cb 0.02 -2.57 1.45 0.00 0.10 0.00 0.00 66.02 65.02 3hcy s SER 75 CO 0.23 -1.05 2.08 0.08 0.98 0.00 0.00 173.24 175.56 3hcy h ARG 76 N 1.24 0.00 0.00 4.02 -0.00 -1.99 0.86 114.38 118.51 3hcy h ARG 76 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 3hcy h ARG 76 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 3hcy h ARG 76 CO 0.58 0.11 0.00 0.39 -0.00 0.00 0.00 179.97 181.05 3hcy n GLU 77 N -3.68 0.00 -0.32 0.08 1.02 -1.26 -2.08 120.64 114.40 3hcy n GLU 77 Ca -0.02 0.39 0.23 0.00 -0.02 0.00 0.00 57.16 57.74 3hcy n GLU 77 Cb 0.23 -1.24 0.45 0.00 -0.02 0.00 0.00 31.44 30.86 3hcy n GLU 77 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hcy h LEU 78 N 0.00 0.28 -0.30 -4.62 5.85 -1.96 -2.65 115.31 111.91 3hcy h LEU 78 Ca 0.00 0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3hcy h LEU 78 Cb 0.00 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hcy h LEU 78 CO 0.00 -0.23 -0.19 0.50 -0.34 0.00 0.00 178.44 178.18 3hcy h LYS 79 N 0.20 0.66 0.00 1.25 3.64 -0.84 -2.35 116.57 119.13 3hcy h LYS 79 Ca 0.71 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3hcy h LYS 79 Cb 1.66 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 3hcy h LYS 79 CO -0.68 0.90 -0.32 1.05 -2.27 0.00 0.00 179.45 178.13 3hcy h GLU 80 N 0.41 0.00 -0.33 1.90 4.11 -1.06 0.13 114.58 119.75 3hcy h GLU 80 Ca 0.06 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.53 3hcy h GLU 80 Cb 0.73 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3hcy h GLU 80 CO 0.05 0.32 0.11 0.77 0.07 0.00 0.00 179.01 180.33 3hcy h SER 81 N 0.00 0.11 0.19 3.06 0.02 -1.28 1.04 113.55 116.68 3hcy h SER 81 Ca -0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hcy h SER 81 Cb 0.62 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hcy h SER 81 CO 0.04 0.10 -0.09 0.40 -1.14 0.00 0.00 176.83 176.14 3hcy h ILE 82 N 0.24 0.91 -0.67 3.27 2.04 -0.88 -1.97 117.51 120.46 3hcy h ILE 82 Ca 0.15 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hcy h ILE 82 Cb 0.12 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3hcy h ILE 82 CO -0.16 0.12 0.28 -0.37 0.00 0.00 0.00 178.15 178.03 3hcy h VAL 83 N -0.52 1.23 -0.90 1.67 -1.51 -0.62 -2.43 116.25 113.16 3hcy h VAL 83 Ca -0.03 -0.69 0.10 0.00 -1.23 0.00 0.00 66.70 64.85 3hcy h VAL 83 Cb 0.39 0.41 -0.07 0.00 -2.13 0.00 0.00 31.29 29.90 3hcy h VAL 83 CO 0.04 0.28 0.58 1.23 -1.23 0.00 0.00 177.57 178.47 3hcy h GLY 84 N 1.04 1.30 2.00 5.19 0.00 0.14 -0.88 103.07 111.87 3hcy h GLY 84 Ca 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3hcy h GLY 84 CO -0.02 0.21 -0.05 -2.09 0.00 0.00 0.00 176.54 174.58 3hcy h GLU 85 N 0.89 0.00 0.00 4.80 4.57 -0.96 -3.47 114.58 120.42 3hcy h GLU 85 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 3hcy h GLU 85 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3hcy h GLU 85 CO -0.18 0.05 0.00 0.41 -1.18 0.00 0.00 179.01 178.11 3hcy n GLY 86 N 0.45 1.65 3.64 1.92 0.00 -0.33 -5.01 105.19 107.51 3hcy n GLY 86 Ca 0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3hcy n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hcy s ILE 87 N -2.00 5.09 -0.48 -0.61 1.01 -0.95 -4.35 121.20 118.91 3hcy s ILE 87 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.84 3hcy s ILE 87 Cb 0.00 -3.35 -0.12 0.00 0.01 0.00 0.00 42.46 39.00 3hcy s ILE 87 CO 0.00 0.38 0.45 0.00 0.00 0.00 0.00 174.94 175.77 3hcy n ALA 88 N 4.08 3.35 -3.49 9.38 0.00 0.13 -4.25 120.51 129.71 3hcy n ALA 88 Ca -0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 3hcy n ALA 88 Cb 0.52 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 3hcy n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hcy s ALA 89 N -2.07 -1.74 -0.12 0.00 0.00 -0.88 -2.45 121.76 114.50 3hcy s ALA 89 Ca 0.04 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 3hcy s ALA 89 Cb 0.08 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.57 3hcy s ALA 89 CO 0.45 -0.58 0.32 -0.51 0.00 0.00 0.00 175.76 175.44 3hcy s LEU 90 N -2.03 0.60 -0.14 0.00 1.43 0.42 -0.83 118.68 118.14 3hcy s LEU 90 Ca -0.02 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3hcy s LEU 90 Cb -0.01 1.07 -0.00 0.00 0.03 0.00 0.00 46.19 47.29 3hcy s LEU 90 CO -0.04 -0.13 -0.18 -0.83 0.23 0.00 0.00 176.35 175.41 3hcy s GLY 91 N 0.51 1.43 -0.19 -3.19 0.00 -0.05 -0.07 107.32 105.76 3hcy s GLY 91 Ca -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 3hcy s GLY 91 CO -0.03 -0.06 0.01 -1.36 0.00 0.00 0.00 173.10 171.66 3hcy s PHE 92 N 0.70 3.07 -0.21 1.90 0.08 0.10 -1.20 117.98 122.41 3hcy s PHE 92 Ca -0.08 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 3hcy s PHE 92 Cb -0.16 -2.07 0.06 0.00 -0.57 0.00 0.00 43.02 40.27 3hcy s PHE 92 CO 0.01 -0.15 -0.02 -0.06 -0.10 0.00 0.00 175.22 174.90 3hcy s PHE 93 N 0.85 1.82 0.46 0.36 0.08 0.10 -1.53 117.98 120.12 3hcy s PHE 93 Ca 0.01 -1.35 -0.25 0.00 0.12 0.00 0.00 56.93 55.47 3hcy s PHE 93 Cb -0.14 -1.35 -0.08 0.00 -0.57 0.00 0.00 43.02 40.89 3hcy s PHE 93 CO 0.02 -0.69 1.39 -2.14 -0.10 0.00 0.00 175.22 173.70 3hcy s PRO 94 N 1.59 3.62 -0.05 0.24 0.01 -1.26 -0.29 135.00 138.86 3hcy s PRO 94 Ca -0.03 2.33 0.04 0.00 0.01 0.00 0.00 61.00 63.34 3hcy s PRO 94 Cb -0.18 -2.59 -0.02 0.00 0.01 0.00 0.00 34.50 31.72 3hcy s PRO 94 CO -0.07 -0.84 -0.15 -0.51 0.01 0.00 0.00 177.00 175.45 3hcy s LEU 95 N -2.84 2.71 0.02 -5.54 1.43 0.45 -4.81 118.68 110.10 3hcy s LEU 95 Ca 0.62 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 3hcy s LEU 95 Cb -0.42 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3hcy s LEU 95 CO 0.53 0.33 0.06 -0.69 0.23 0.00 0.00 176.35 176.81 3hcy s VAL 96 N -0.66 0.11 -0.07 -1.59 1.01 -1.26 -0.76 120.40 117.18 3hcy s VAL 96 Ca 0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3hcy s VAL 96 Cb -0.11 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.81 3hcy s VAL 96 CO 0.01 -0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 173.71 3hcy s THR 97 N -1.73 0.45 -1.31 3.92 2.01 -0.31 -4.73 115.64 113.94 3hcy s THR 97 Ca -0.13 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 3hcy s THR 97 Cb -0.07 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3hcy s THR 97 CO -0.01 0.26 0.76 -0.62 -0.69 0.00 0.00 174.62 174.32 3hcy n GLU 98 N 4.96 -5.52 -0.96 4.92 4.71 -1.26 -1.42 120.64 126.08 3hcy n GLU 98 Ca -0.10 0.78 -0.00 0.00 -0.01 0.00 0.00 57.16 57.83 3hcy n GLU 98 Cb 0.50 -5.48 -0.00 0.00 -1.01 0.00 0.00 31.44 25.45 3hcy n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hcy n GLY 99 N -1.61 0.04 3.67 0.62 0.00 -1.26 -4.98 105.19 101.66 3hcy n GLY 99 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3hcy n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcy s ARG 100 N -1.93 4.28 0.14 1.61 0.52 -0.50 -4.94 118.95 118.13 3hcy s ARG 100 Ca 0.00 1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.91 3hcy s ARG 100 Cb 0.00 -3.58 -0.11 0.00 0.52 0.00 0.00 34.95 31.78 3hcy s ARG 100 CO 0.00 -0.35 1.80 -1.17 0.02 0.00 0.00 175.30 175.60 3hcy s LEU 101 N 2.24 4.39 0.00 2.53 2.96 -1.26 -1.16 118.68 128.39 3hcy s LEU 101 Ca 0.38 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.06 3hcy s LEU 101 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3hcy s LEU 101 CO 0.12 -0.99 0.00 -0.38 -1.32 0.00 0.00 176.35 173.77 3hcy n ILE 102 N 4.58 0.00 -3.88 6.68 5.41 0.06 -4.94 119.36 127.27 3hcy n ILE 102 Ca 0.17 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3hcy n ILE 102 Cb 0.38 0.57 0.00 0.00 -0.71 0.00 0.00 39.64 39.88 3hcy n ILE 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hcy n GLY 103 N 1.85 -0.67 3.42 7.39 0.00 -1.13 -2.51 105.19 113.55 3hcy n GLY 103 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3hcy n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hcy s LYS 104 N -1.77 1.25 0.25 1.61 -2.85 -0.30 -0.41 119.74 117.52 3hcy s LYS 104 Ca 0.00 -0.97 0.12 0.00 -1.00 0.00 0.00 55.97 54.12 3hcy s LYS 104 Cb 0.00 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3hcy s LYS 104 CO 0.00 -0.50 -0.20 -0.59 0.10 0.00 0.00 175.35 174.16 3hcy s PHE 105 N -3.90 2.32 0.02 1.78 -0.12 0.60 -1.15 117.98 117.52 3hcy s PHE 105 Ca 0.11 -0.33 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 3hcy s PHE 105 Cb 0.01 -1.06 -0.01 0.00 -0.63 0.00 0.00 43.02 41.33 3hcy s PHE 105 CO -0.03 0.64 -0.10 -1.64 -0.05 0.00 0.00 175.22 174.03 3hcy s MET 106 N -3.21 0.76 0.06 1.99 -1.94 0.14 0.02 119.30 117.12 3hcy s MET 106 Ca 0.27 -0.53 0.09 0.00 -1.71 0.00 0.00 55.69 53.81 3hcy s MET 106 Cb -0.06 -0.71 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 3hcy s MET 106 CO 0.13 0.18 -0.23 0.95 -0.01 0.00 0.00 175.02 176.05 3hcy s THR 107 N -0.60 2.46 0.03 2.05 -4.23 -0.34 -0.18 115.64 114.83 3hcy s THR 107 Ca 0.01 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 3hcy s THR 107 Cb -0.06 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 3hcy s THR 107 CO 0.00 0.29 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.92 3hcy s TYR 108 N -0.92 1.24 0.02 3.99 2.02 0.27 -0.87 117.35 123.10 3hcy s TYR 108 Ca 0.14 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3hcy s TYR 108 Cb -0.10 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 3hcy s TYR 108 CO 0.05 0.03 -0.10 0.71 -1.57 0.00 0.00 175.55 174.67 3hcy s TYR 109 N -0.80 0.84 0.01 2.71 2.02 -0.01 -1.78 117.35 120.34 3hcy s TYR 109 Ca 0.02 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 3hcy s TYR 109 Cb -0.08 -0.51 -0.30 0.00 -0.40 0.00 0.00 41.96 40.67 3hcy s TYR 109 CO 0.01 -0.01 0.90 -0.44 -1.57 0.00 0.00 175.55 174.44 3hcy h ASP 110 N 5.26 0.55 -2.95 2.29 3.32 -1.87 0.37 116.42 123.39 3hcy h ASP 110 Ca -0.34 -0.69 -0.56 0.00 0.02 0.00 0.00 57.03 55.46 3hcy h ASP 110 Cb 1.19 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3hcy h ASP 110 CO 0.46 1.56 -0.35 -0.13 -1.72 0.00 0.00 179.24 179.06 3hcy s ARG 111 N -2.61 3.54 0.67 3.56 0.52 -1.26 -3.19 118.95 120.18 3hcy s ARG 111 Ca -0.09 -0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 3hcy s ARG 111 Cb 0.06 -2.87 -0.12 0.00 0.52 0.00 0.00 34.95 32.54 3hcy s ARG 111 CO 0.88 0.45 -0.07 -2.30 0.02 0.00 0.00 175.30 174.28 3hcy n PRO 112 N -0.30 0.11 -3.70 3.54 -0.02 -1.26 -4.23 135.00 129.14 3hcy n PRO 112 Ca -0.04 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 3hcy n PRO 112 Cb 0.53 -1.25 -0.10 0.00 -0.02 0.00 0.00 33.50 32.66 3hcy n PRO 112 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hcy s HIS 113 N -1.96 -0.59 0.00 6.00 2.46 -0.53 -4.96 115.29 115.71 3hcy s HIS 113 Ca 0.56 1.33 0.01 0.00 0.47 0.00 0.00 55.06 57.43 3hcy s HIS 113 Cb -0.39 0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.28 3hcy s HIS 113 CO 0.67 -0.31 0.04 1.03 -2.47 0.00 0.00 174.74 173.71 3hcy s ARG 114 N 0.85 2.92 -0.20 2.88 0.52 -1.26 -4.34 118.95 120.32 3hcy s ARG 114 Ca -0.05 -0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 3hcy s ARG 114 Cb -0.06 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 3hcy s ARG 114 CO -0.07 0.63 0.06 -0.06 0.02 0.00 0.00 175.30 175.89 3hcy s PHE 115 N -1.16 3.19 0.79 -0.53 0.40 -1.26 -5.08 117.98 114.32 3hcy s PHE 115 Ca 0.22 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 3hcy s PHE 115 Cb -0.12 -2.13 0.06 0.00 0.51 0.00 0.00 43.02 41.35 3hcy s PHE 115 CO 0.13 -0.01 1.09 0.00 0.70 0.00 0.00 175.22 177.13 3hcy s ALA 116 N 0.76 2.28 0.22 5.36 0.00 -1.26 -4.91 121.76 124.20 3hcy s ALA 116 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 3hcy s ALA 116 Cb -0.13 -3.12 0.20 0.00 0.00 0.00 0.00 23.12 20.06 3hcy s ALA 116 CO 0.02 -1.69 1.72 -0.44 0.00 0.00 0.00 175.76 175.37 3hcy h ASP 117 N -1.06 0.94 -0.57 0.00 3.32 -1.99 -2.03 116.42 115.04 3hcy h ASP 117 Ca -0.47 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.32 3hcy h ASP 117 Cb 1.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3hcy h ASP 117 CO 0.59 0.97 0.24 0.77 -1.72 0.00 0.00 179.24 180.08 3hcy h SER 118 N 0.91 0.78 0.25 6.45 4.64 -1.99 0.21 113.55 124.81 3hcy h SER 118 Ca 0.18 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3hcy h SER 118 Cb 0.46 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3hcy h SER 118 CO 0.02 0.73 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.25 3hcy h GLU 119 N 0.78 -0.32 -0.98 4.77 5.08 -1.90 -0.76 114.58 121.24 3hcy h GLU 119 Ca 0.19 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.77 3hcy h GLU 119 Cb 0.19 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.40 3hcy h GLU 119 CO -0.02 -0.05 0.58 0.82 -1.00 0.00 0.00 179.01 179.34 3hcy h ILE 120 N -0.59 0.68 0.16 3.13 2.04 -1.13 0.96 117.51 122.76 3hcy h ILE 120 Ca -0.03 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3hcy h ILE 120 Cb 0.43 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3hcy h ILE 120 CO 0.06 0.13 -0.08 1.23 0.00 0.00 0.00 178.15 179.49 3hcy h GLY 121 N 0.71 -0.23 0.49 5.37 0.00 -0.10 0.14 103.07 109.45 3hcy h GLY 121 Ca 0.57 0.09 0.05 0.00 0.00 0.00 0.00 47.33 48.04 3hcy h GLY 121 CO -0.40 -0.08 -0.08 -0.33 0.00 0.00 0.00 176.54 175.65 3hcy h MET 122 N -0.46 -0.03 -1.00 4.80 2.86 0.10 -0.39 114.93 120.82 3hcy h MET 122 Ca -0.02 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 3hcy h MET 122 Cb 0.35 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.93 3hcy h MET 122 CO 0.04 -0.02 0.63 0.00 1.06 0.00 0.00 176.91 178.61 3hcy h ALA 123 N 1.19 1.57 -0.28 6.32 0.00 0.14 0.76 119.26 128.96 3hcy h ALA 123 Ca 0.12 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3hcy h ALA 123 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hcy h ALA 123 CO -0.26 0.16 -0.41 -0.07 0.00 0.00 0.00 179.25 178.68 3hcy h LEU 124 N 0.94 0.85 -0.68 0.00 3.38 -0.05 -2.19 115.31 117.55 3hcy h LEU 124 Ca 0.51 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hcy h LEU 124 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3hcy h LEU 124 CO -0.28 1.19 0.44 0.74 0.09 0.00 0.00 178.44 180.61 3hcy h THR 125 N 0.53 1.13 -0.71 0.22 2.02 -0.08 -1.21 112.91 114.79 3hcy h THR 125 Ca 0.03 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 66.99 3hcy h THR 125 Cb 1.00 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3hcy h THR 125 CO 0.09 0.16 0.38 0.40 0.37 0.00 0.00 175.52 176.93 3hcy h ILE 126 N 0.87 0.91 0.00 3.11 2.04 -0.52 -2.28 117.51 121.64 3hcy h ILE 126 Ca 0.26 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 3hcy h ILE 126 Cb -0.03 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3hcy h ILE 126 CO -0.08 0.12 -0.49 0.00 0.00 0.00 0.00 178.15 177.69 3hcy h ALA 127 N 1.40 0.96 -0.28 1.87 0.00 -0.94 -2.06 119.26 120.20 3hcy h ALA 127 Ca 0.34 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hcy h ALA 127 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hcy h ALA 127 CO -0.23 0.62 -0.00 -0.09 0.00 0.00 0.00 179.25 179.55 3hcy h ARG 128 N 0.00 0.49 -0.23 0.00 2.43 -0.72 -2.00 114.38 114.35 3hcy h ARG 128 Ca -0.00 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.85 3hcy h ARG 128 Cb 1.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3hcy h ARG 128 CO 0.06 0.65 -0.49 0.37 -1.51 0.00 0.00 179.97 179.06 3hcy h GLN 129 N 0.28 0.61 -0.05 0.20 4.15 -0.87 -2.07 115.11 117.34 3hcy h GLN 129 Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 3hcy h GLN 129 Cb 0.43 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3hcy h GLN 129 CO 0.01 0.96 -0.00 1.25 -1.93 0.00 0.00 178.83 179.12 3hcy h LEU 130 N 0.48 0.09 -0.59 -2.39 5.85 -1.38 0.35 115.31 117.73 3hcy h LEU 130 Ca 0.02 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.53 3hcy h LEU 130 Cb 1.02 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 3hcy h LEU 130 CO 0.10 0.39 -0.28 1.23 -0.34 0.00 0.00 178.44 179.54 3hcy h GLY 131 N -0.21 0.06 1.02 3.75 0.00 -1.31 0.38 103.07 106.76 3hcy h GLY 131 Ca 0.01 0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 3hcy h GLY 131 CO 0.00 -0.22 -0.42 0.74 0.00 0.00 0.00 176.54 176.64 3hcy h PHE 132 N -0.12 0.92 -0.26 5.60 0.04 -1.11 0.90 116.94 122.90 3hcy h PHE 132 Ca 0.25 -0.32 0.06 0.00 2.80 0.00 0.00 57.97 60.77 3hcy h PHE 132 Cb 0.53 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.43 3hcy h PHE 132 CO -0.59 1.10 -0.36 0.77 -0.60 0.00 0.00 178.31 178.63 3hcy h SER 133 N 0.47 -1.15 -0.38 2.17 0.02 0.59 0.45 113.55 115.72 3hcy h SER 133 Ca 0.02 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3hcy h SER 133 Cb 1.02 0.50 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 3hcy h SER 133 CO 0.10 -0.36 0.22 0.40 -1.14 0.00 0.00 176.83 176.05 3hcy h ILE 134 N -0.36 1.04 -0.74 3.27 2.04 -0.13 0.17 117.51 122.79 3hcy h ILE 134 Ca 0.12 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.96 3hcy h ILE 134 Cb 0.57 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 3hcy h ILE 134 CO -0.45 0.08 0.32 -0.61 0.00 0.00 0.00 178.15 177.49 3hcy h GLN 135 N 0.45 0.48 0.00 2.37 4.15 -0.22 -1.11 115.11 121.23 3hcy h GLN 135 Ca 0.15 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.29 3hcy h GLN 135 Cb 0.01 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 3hcy h GLN 135 CO -0.07 0.32 -1.31 0.00 -1.93 0.00 0.00 178.83 175.84 3hcy h ARG 136 N 0.49 0.01 0.27 1.69 3.08 -0.37 -2.63 114.38 116.92 3hcy h ARG 136 Ca 0.40 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 3hcy h ARG 136 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3hcy h ARG 136 CO -0.36 0.80 -0.13 0.52 -1.07 0.00 0.00 179.97 179.73 3hcy h MET 137 N 0.00 -0.35 -0.94 0.04 2.86 -0.75 -3.13 114.93 112.67 3hcy h MET 137 Ca -0.13 0.02 0.24 0.00 -2.06 0.00 0.00 59.70 57.77 3hcy h MET 137 Cb 1.88 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 33.44 3hcy h MET 137 CO 0.11 -0.14 -0.05 -2.13 1.06 0.00 0.00 176.91 175.77 3hcy n ARG 138 N -5.01 -0.08 0.16 1.72 0.63 -0.44 -2.93 116.66 110.71 3hcy n ARG 138 Ca -0.06 1.42 -0.07 0.00 -0.92 0.00 0.00 57.85 58.22 3hcy n ARG 138 Cb 0.19 -2.22 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 3hcy n ARG 138 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hcy h ALA 139 N 1.88 -0.72 0.00 5.13 0.00 -1.41 -0.77 119.26 123.37 3hcy h ALA 139 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hcy h ALA 139 Cb 1.05 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hcy h ALA 139 CO -0.90 -0.68 0.00 -0.85 0.00 0.00 0.00 179.25 176.81 3hcy n GLU 140 N -3.80 0.87 0.03 0.00 -0.00 -1.21 -5.74 120.64 110.80 3hcy n GLU 140 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.00 3hcy n GLU 140 Cb 0.17 -1.48 -0.13 0.00 -0.00 0.00 0.00 31.44 30.00 3hcy n GLU 140 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 3hcy h TYR 141 N 0.00 0.15 -0.81 -1.84 5.03 -1.40 0.93 116.97 119.02 3hcy h TYR 141 Ca 0.00 -0.11 0.08 0.00 2.58 0.00 0.00 58.73 61.28 3hcy h TYR 141 Cb 0.00 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.21 3hcy h TYR 141 CO 0.00 1.14 0.48 0.00 -1.32 0.00 0.00 178.16 178.45 3hcy h ALA 142 N 0.82 1.14 0.03 1.82 0.00 -1.40 -3.35 119.26 118.32 3hcy h ALA 142 Ca -0.19 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 3hcy h ALA 142 Cb 1.94 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 3hcy h ALA 142 CO 0.12 0.15 -1.74 0.07 0.00 0.00 0.00 179.25 177.85 3hcy h ARG 143 N 0.83 0.06 -0.56 0.00 -0.00 -1.83 -3.31 114.38 109.57 3hcy h ARG 143 Ca 0.38 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 60.25 3hcy h ARG 143 Cb 0.28 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 3hcy h ARG 143 CO -0.22 0.67 0.00 2.89 -0.00 0.00 0.00 179.97 183.31 3hcy n ARG 144 N -3.15 0.22 0.01 0.08 -4.01 0.32 -2.74 116.66 107.39 3hcy n ARG 144 Ca -0.19 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.60 3hcy n ARG 144 Cb 1.05 -1.17 -0.01 0.00 -3.04 0.00 0.00 32.46 29.29 3hcy n ARG 144 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3hcy n GLN 145 N 0.50 0.10 0.00 2.89 1.13 -1.24 -5.04 117.38 115.72 3hcy n GLN 145 Ca 0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3hcy n GLN 145 Cb 0.07 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 29.83 3hcy n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62