#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcy s ASN -1 N 0.00 6.62 -1.01 -3.46 0.01 -1.26 -4.81 114.94 111.03 3hcy s ASN -1 Ca 0.00 -1.82 -0.12 0.00 -0.71 0.00 0.00 52.86 50.21 3hcy s ASN -1 Cb 0.00 -2.54 0.24 0.00 0.41 0.00 0.00 41.25 39.36 3hcy s ASN -1 CO 0.00 -1.33 1.02 0.00 -1.51 0.00 0.00 177.10 175.28 3hcy s ALA 0 N 4.30 4.34 -0.23 0.60 0.00 -1.26 -4.60 121.76 124.92 3hcy s ALA 0 Ca 0.45 -3.53 0.10 0.00 0.00 0.00 0.00 51.96 48.98 3hcy s ALA 0 Cb -0.00 -3.64 0.43 0.00 0.00 0.00 0.00 23.12 19.91 3hcy s ALA 0 CO -0.06 -2.34 1.22 0.44 0.00 0.00 0.00 175.76 175.02 3hcy n ILE 1 N 3.54 2.28 0.21 0.00 -6.64 -1.26 -4.18 119.36 113.32 3hcy n ILE 1 Ca 0.21 -3.43 0.14 0.00 -1.77 0.00 0.00 62.75 57.90 3hcy n ILE 1 Cb 0.43 -0.42 0.76 0.00 -1.44 0.00 0.00 39.64 38.97 3hcy n ILE 1 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 3hcy h GLU 2 N 1.23 0.00 -0.10 6.28 4.81 -1.98 -2.79 114.58 122.03 3hcy h GLU 2 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hcy h GLU 2 Cb 1.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3hcy h GLU 2 CO 0.16 0.00 -0.21 0.93 -0.73 0.00 0.00 179.01 179.16 3hcy h GLU 3 N 0.00 0.17 -0.28 1.92 3.07 -1.97 0.19 114.58 117.68 3hcy h GLU 3 Ca 0.07 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.76 3hcy h GLU 3 Cb 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3hcy h GLU 3 CO -0.00 0.38 -0.32 0.28 -1.40 0.00 0.00 179.01 177.95 3hcy h VAL 4 N 0.16 1.28 0.04 3.13 2.07 -1.80 -1.87 116.25 119.26 3hcy h VAL 4 Ca 0.03 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3hcy h VAL 4 Cb 0.46 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3hcy h VAL 4 CO 0.03 0.46 -0.02 1.88 0.02 0.00 0.00 177.57 179.94 3hcy h TYR 5 N 0.50 -0.05 -0.95 1.57 0.05 -1.25 -1.74 116.97 115.10 3hcy h TYR 5 Ca 0.06 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.88 3hcy h TYR 5 Cb 0.80 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.50 3hcy h TYR 5 CO 0.03 0.25 0.62 0.93 -1.05 0.00 0.00 178.16 178.94 3hcy h GLU 6 N -0.35 1.14 -0.82 4.88 4.39 -1.01 -0.95 114.58 121.86 3hcy h GLU 6 Ca -0.01 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hcy h GLU 6 Cb 0.32 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3hcy h GLU 6 CO 0.01 0.75 0.54 0.00 -1.16 0.00 0.00 179.01 179.16 3hcy h ALA 7 N 1.40 1.44 -0.21 3.43 0.00 -1.29 0.27 119.26 124.30 3hcy h ALA 7 Ca 0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3hcy h ALA 7 Cb 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hcy h ALA 7 CO -0.14 0.50 -0.26 1.15 0.00 0.00 0.00 179.25 180.51 3hcy h THR 8 N 1.08 1.33 -0.82 0.00 2.02 -0.57 0.35 112.91 116.29 3hcy h THR 8 Ca 0.31 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 3hcy h THR 8 Cb -0.08 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3hcy h THR 8 CO -0.08 0.44 0.51 -0.07 0.37 0.00 0.00 175.52 176.70 3hcy h LEU 9 N 0.23 0.97 -0.17 2.58 3.38 -0.80 0.83 115.31 122.32 3hcy h LEU 9 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hcy h LEU 9 Cb 0.82 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hcy h LEU 9 CO 0.06 0.73 0.10 0.44 0.09 0.00 0.00 178.44 179.87 3hcy h ASP 10 N 1.12 0.17 -0.62 -0.43 3.32 0.03 -2.00 116.42 118.01 3hcy h ASP 10 Ca 0.30 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3hcy h ASP 10 Cb -0.07 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3hcy h ASP 10 CO -0.06 0.13 0.01 0.00 -1.72 0.00 0.00 179.24 177.60 3hcy h ALA 11 N 1.07 0.84 -0.77 3.45 0.00 0.91 -2.16 119.26 122.60 3hcy h ALA 11 Ca 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hcy h ALA 11 Cb -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 3hcy h ALA 11 CO -0.03 0.68 0.46 0.82 0.00 0.00 0.00 179.25 181.18 3hcy h ILE 12 N 1.00 1.00 -0.26 0.00 2.04 0.86 0.97 117.51 123.12 3hcy h ILE 12 Ca 0.18 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3hcy h ILE 12 Cb 0.55 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3hcy h ILE 12 CO 0.03 0.15 -0.03 1.56 0.00 0.00 0.00 178.15 179.86 3hcy h GLN 13 N 0.83 0.48 -0.27 2.37 4.20 -1.12 -0.13 115.11 121.47 3hcy h GLN 13 Ca 0.34 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.71 3hcy h GLN 13 Cb 0.19 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3hcy h GLN 13 CO -0.18 0.67 -0.49 0.78 -0.67 0.00 0.00 178.83 178.95 3hcy h GLY 14 N 0.24 0.88 2.00 3.46 0.00 -1.15 -1.96 103.07 106.55 3hcy h GLY 14 Ca 0.07 -1.02 -0.16 0.00 0.00 0.00 0.00 47.33 46.22 3hcy h GLY 14 CO 0.02 0.92 -0.74 0.00 0.00 0.00 0.00 176.54 176.73 3hcy h ALA 15 N 0.66 0.57 0.00 3.60 0.00 -0.81 -3.40 119.26 119.88 3hcy h ALA 15 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hcy h ALA 15 Cb 1.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hcy h ALA 15 CO 0.11 0.93 0.00 1.28 0.00 0.00 0.00 179.25 181.57 3hcy n LEU 16 N -3.36 0.73 -3.98 0.00 4.77 -0.06 -5.00 117.00 110.09 3hcy n LEU 16 Ca 0.01 -0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 54.94 3hcy n LEU 16 Cb 0.80 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 3hcy n LEU 16 CO 0.43 0.18 -0.28 -3.20 -1.33 0.00 0.00 177.39 173.20 3hcy n ASN 17 N -0.03 -0.88 -4.11 -1.43 2.85 -0.73 -4.94 115.26 105.99 3hcy n ASN 17 Ca 0.00 -1.03 -0.17 0.00 -0.11 0.00 0.00 54.58 53.27 3hcy n ASN 17 Cb 0.06 -1.26 0.03 0.00 1.24 0.00 0.00 39.78 39.84 3hcy n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hcy n ASP 19 N -2.20 0.58 -3.48 0.00 8.00 -0.49 -4.98 116.55 113.99 3hcy n ASP 19 Ca 0.05 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 3hcy n ASP 19 Cb 0.45 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 3hcy n ASP 19 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hcy s ARG 20 N -2.55 1.22 0.13 -1.24 0.52 -1.16 -4.59 118.95 111.28 3hcy s ARG 20 Ca -0.08 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.45 3hcy s ARG 20 Cb 0.07 0.56 0.03 0.00 0.52 0.00 0.00 34.95 36.13 3hcy s ARG 20 CO 0.82 -0.52 0.37 0.00 0.02 0.00 0.00 175.30 175.99 3hcy s ALA 21 N -3.76 -0.80 0.16 2.13 0.00 0.15 -1.18 121.76 118.45 3hcy s ALA 21 Ca 0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 3hcy s ALA 21 Cb -0.00 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.82 3hcy s ALA 21 CO -0.13 -0.63 0.43 -1.54 0.00 0.00 0.00 175.76 173.89 3hcy s SER 22 N -2.82 -0.20 -0.05 0.00 1.04 -0.56 -0.68 113.70 110.43 3hcy s SER 22 Ca 0.04 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3hcy s SER 22 Cb 0.02 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 3hcy s SER 22 CO -0.11 -0.94 -0.18 -0.63 0.98 0.00 0.00 173.24 172.36 3hcy s ILE 23 N -3.86 1.52 0.05 -1.02 1.01 -0.11 -1.02 121.20 117.77 3hcy s ILE 23 Ca 0.07 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3hcy s ILE 23 Cb 0.01 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3hcy s ILE 23 CO -0.07 0.44 -0.14 -0.76 0.00 0.00 0.00 174.94 174.40 3hcy s LEU 24 N 0.08 2.21 0.08 2.97 1.02 0.52 -1.28 118.68 124.27 3hcy s LEU 24 Ca -0.06 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.61 3hcy s LEU 24 Cb -0.12 -0.59 -0.03 0.00 0.02 0.00 0.00 46.19 45.47 3hcy s LEU 24 CO 0.03 -0.00 -0.11 -0.76 0.02 0.00 0.00 176.35 175.53 3hcy s LEU 25 N -1.38 2.34 0.58 1.79 1.43 -0.32 -0.19 118.68 122.93 3hcy s LEU 25 Ca 0.01 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.22 3hcy s LEU 25 Cb -0.09 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 3hcy s LEU 25 CO 0.02 -0.19 1.16 -0.36 0.23 0.00 0.00 176.35 177.21 3hcy s PHE 26 N -1.86 2.53 0.48 0.29 0.08 -0.19 -1.12 117.98 118.19 3hcy s PHE 26 Ca 0.00 1.53 0.04 0.00 0.12 0.00 0.00 56.93 58.63 3hcy s PHE 26 Cb -0.07 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.00 3hcy s PHE 26 CO 0.01 -1.88 0.15 0.16 -0.10 0.00 0.00 175.22 173.56 3hcy s ASP 27 N -1.75 4.30 0.57 1.36 1.47 -0.58 -4.90 116.67 117.14 3hcy s ASP 27 Ca 0.74 -1.37 0.36 0.00 1.18 0.00 0.00 52.55 53.46 3hcy s ASP 27 Cb -0.26 0.13 1.58 0.00 -0.34 0.00 0.00 42.92 44.03 3hcy s ASP 27 CO 0.31 -0.79 2.06 -0.33 0.68 0.00 0.00 175.17 177.10 3hcy h GLU 28 N 1.27 0.00 -0.08 2.11 4.39 -1.97 0.12 114.58 120.42 3hcy h GLU 28 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3hcy h GLU 28 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3hcy h GLU 28 CO 0.70 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.55 3hcy n ALA 29 N -2.09 2.49 -0.94 3.43 0.00 -1.26 -4.86 120.51 117.28 3hcy n ALA 29 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hcy n ALA 29 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.63 0.54 3.83 0.00 0.00 0.41 -5.01 105.19 105.59 3hcy n GLY 30 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.43 5.10 0.30 2.61 -4.23 -1.25 -4.74 115.64 111.00 3hcy s THR 31 Ca 0.00 0.77 -0.28 0.00 -1.18 0.00 0.00 61.69 60.99 3hcy s THR 31 Cb 0.00 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.06 3hcy s THR 31 CO 0.00 0.55 1.06 -0.04 -0.54 0.00 0.00 174.62 175.66 3hcy s MET 32 N -0.85 4.57 -0.07 3.99 1.00 -1.25 -1.53 119.30 125.16 3hcy s MET 32 Ca 0.23 1.69 -0.03 0.00 0.00 0.00 0.00 55.69 57.58 3hcy s MET 32 Cb -0.16 -3.05 0.04 0.00 0.00 0.00 0.00 34.83 31.66 3hcy s MET 32 CO 0.12 0.18 0.14 1.03 0.00 0.00 0.00 175.02 176.48 3hcy s ARG 33 N -1.65 0.07 0.25 2.03 0.52 -0.28 -3.28 118.95 116.61 3hcy s ARG 33 Ca 0.47 0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 55.78 3hcy s ARG 33 Cb -0.29 -0.21 -0.14 0.00 0.52 0.00 0.00 34.95 34.83 3hcy s ARG 33 CO 0.37 -0.20 1.21 1.19 0.02 0.00 0.00 175.30 177.89 3hcy n PHE 34 N 4.46 1.71 0.00 -0.53 3.72 -1.26 -1.17 117.46 124.39 3hcy n PHE 34 Ca -0.22 0.59 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 3hcy n PHE 34 Cb 0.51 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.70 3hcy n PHE 34 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3hcy n VAL 35 N 1.07 0.00 -3.56 -4.37 0.24 -0.41 -4.84 118.33 106.46 3hcy n VAL 35 Ca 0.11 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 3hcy n VAL 35 Cb 0.31 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.95 -1.94 -0.19 2.33 0.00 -1.19 -4.99 121.76 114.83 3hcy s ALA 36 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 3hcy s ALA 36 Cb 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 23.12 22.92 3hcy s ALA 36 CO 0.00 -0.47 1.09 0.00 0.00 0.00 0.00 175.76 176.38 3hcy s ALA 37 N -1.93 -1.98 0.06 0.00 0.00 -1.26 -0.94 121.76 115.71 3hcy s ALA 37 Ca 0.03 1.65 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 3hcy s ALA 37 Cb -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.28 3hcy s ALA 37 CO -0.03 -0.31 0.39 -0.98 0.00 0.00 0.00 175.76 174.82 3hcy s ARG 38 N -1.17 0.94 -1.10 0.00 1.70 0.15 -4.79 118.95 114.66 3hcy s ARG 38 Ca 0.01 -0.49 -0.15 0.00 -0.47 0.00 0.00 55.73 54.64 3hcy s ARG 38 Cb -0.01 0.41 0.17 0.00 -0.57 0.00 0.00 34.95 34.96 3hcy s ARG 38 CO -0.01 -0.33 1.28 0.20 -1.08 0.00 0.00 175.30 175.36 3hcy s GLY 39 N -2.24 2.38 0.30 3.88 0.00 -1.26 0.31 107.32 110.70 3hcy s GLY 39 Ca -0.03 -3.25 -0.17 0.00 0.00 0.00 0.00 44.72 41.27 3hcy s GLY 39 CO -0.05 1.92 0.76 1.08 0.00 0.00 0.00 173.10 176.80 3hcy s LEU 40 N 1.49 4.14 0.47 0.66 1.43 -1.26 -4.92 118.68 120.69 3hcy s LEU 40 Ca 0.37 1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 54.75 3hcy s LEU 40 Cb -0.04 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 3hcy s LEU 40 CO -0.04 -0.15 0.83 -0.94 0.23 0.00 0.00 176.35 176.28 3hcy s SER 41 N -2.08 6.40 0.29 2.29 1.04 -1.26 -4.98 113.70 115.40 3hcy s SER 41 Ca 0.52 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 58.06 3hcy s SER 41 Cb -0.12 -2.34 0.41 0.00 0.10 0.00 0.00 66.02 64.08 3hcy s SER 41 CO 0.18 -0.55 1.95 -0.33 0.98 0.00 0.00 173.24 175.47 3hcy h GLU 42 N 0.64 1.09 -0.50 4.02 5.08 -1.99 -0.93 114.58 121.99 3hcy h GLU 42 Ca -0.47 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 57.91 3hcy h GLU 42 Cb 1.19 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 30.12 3hcy h GLU 42 CO 0.63 0.75 -0.05 1.25 -1.00 0.00 0.00 179.01 180.58 3hcy h HIS 43 N 1.12 -0.13 -0.83 4.33 2.76 -1.99 0.29 115.15 120.69 3hcy h HIS 43 Ca 0.30 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 3hcy h HIS 43 Cb -0.08 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3hcy h HIS 43 CO 0.00 -0.16 0.40 -0.92 -1.30 0.00 0.00 177.93 175.96 3hcy h TYR 44 N 0.07 1.20 -0.29 5.26 5.03 -1.69 -1.58 116.97 124.97 3hcy h TYR 44 Ca 0.25 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.43 3hcy h TYR 44 Cb 0.38 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 3hcy h TYR 44 CO -0.36 0.86 -0.09 1.96 -1.32 0.00 0.00 178.16 179.21 3hcy h GLN 45 N 1.19 0.57 -0.83 1.82 4.20 0.72 -2.08 115.11 120.71 3hcy h GLN 45 Ca 0.29 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hcy h GLN 45 Cb 0.11 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3hcy h GLN 45 CO -0.04 0.78 0.43 0.00 -0.67 0.00 0.00 178.83 179.34 3hcy h ARG 46 N 0.32 1.17 -0.68 1.46 3.08 -0.76 -3.04 114.38 115.93 3hcy h ARG 46 Ca 0.07 -0.15 0.10 0.00 0.07 0.00 0.00 59.98 60.07 3hcy h ARG 46 Cb 0.59 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 3hcy h ARG 46 CO 0.03 0.87 0.31 0.00 -1.07 0.00 0.00 179.97 180.12 3hcy h ALA 47 N 1.23 0.93 -0.05 0.04 0.00 -0.67 -3.30 119.26 117.45 3hcy h ALA 47 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hcy h ALA 47 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hcy h ALA 47 CO -0.04 -0.11 0.00 1.33 0.00 0.00 0.00 179.25 180.42 3hcy n VAL 48 N -4.92 1.50 -0.81 0.00 0.24 -0.84 -5.00 118.33 108.49 3hcy n VAL 48 Ca 0.11 -1.63 -0.31 0.00 -2.04 0.00 0.00 64.34 60.46 3hcy n VAL 48 Cb 0.29 0.11 0.15 0.00 -1.47 0.00 0.00 33.84 32.93 3hcy n VAL 48 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3hcy s ASP 49 N -1.90 3.16 0.00 -1.34 1.01 -1.17 -4.32 116.67 112.12 3hcy s ASP 49 Ca 0.19 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.64 3hcy s ASP 49 Cb 0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.52 3hcy s ASP 49 CO 0.03 -2.95 0.00 0.61 0.21 0.00 0.00 175.17 173.08 3hcy n GLY 50 N 0.13 2.43 3.67 0.21 0.00 -1.21 -5.01 105.19 105.41 3hcy n GLY 50 Ca 0.12 -0.71 -0.48 0.00 0.00 0.00 0.00 46.02 44.95 3hcy n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hcy n HIS 51 N 0.00 2.21 -3.96 1.61 8.25 -1.26 -3.89 115.22 118.18 3hcy n HIS 51 Ca 0.00 0.23 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 3hcy n HIS 51 Cb 0.00 -2.56 -0.14 0.00 1.12 0.00 0.00 29.99 28.41 3hcy n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hcy s SER 52 N 2.00 4.45 0.00 0.41 1.04 -1.26 -4.88 113.70 115.47 3hcy s SER 52 Ca 0.85 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 54.63 3hcy s SER 52 Cb -0.73 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3hcy s SER 52 CO 0.44 -0.29 0.00 -0.81 0.98 0.00 0.00 173.24 173.56 3hcy n PRO 53 N 3.59 0.00 -4.44 4.02 -0.04 -1.26 -4.40 135.00 132.47 3hcy n PRO 53 Ca 0.05 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 3hcy n PRO 53 Cb 0.36 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 3hcy n PRO 53 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3hcy n TRP 54 N -0.45 0.24 -2.61 0.54 8.01 -1.26 -5.14 117.44 116.77 3hcy n TRP 54 Ca 0.00 -2.62 -0.03 0.00 -1.31 0.00 0.00 57.50 53.54 3hcy n TRP 54 Cb 0.00 -0.04 0.03 0.00 -2.01 0.00 0.00 31.31 29.29 3hcy n TRP 54 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 3hcy n ILE 55 N -0.96 0.00 0.00 -0.99 -5.35 -1.26 -5.18 119.36 105.62 3hcy n ILE 55 Ca -0.07 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 3hcy n ILE 55 Cb 0.62 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3hcy n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hcy n ASN 59 N -0.53 0.00 -3.36 7.28 3.02 -1.26 -5.19 115.26 115.22 3hcy n ASN 59 Ca -0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 3hcy n ASN 59 Cb 0.66 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.73 3hcy n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hcy s GLU 60 N 0.00 0.79 -0.11 3.52 0.41 -1.26 -4.92 118.70 117.13 3hcy s GLU 60 Ca 0.00 -1.70 -0.10 0.00 -0.41 0.00 0.00 54.97 52.76 3hcy s GLU 60 Cb 0.00 -1.21 -0.05 0.00 -1.78 0.00 0.00 34.13 31.09 3hcy s GLU 60 CO 0.00 -1.32 0.21 -1.25 -0.49 0.00 0.00 175.26 172.41 3hcy s PRO 61 N 0.52 3.70 0.29 0.39 0.04 -1.26 -5.10 135.00 133.59 3hcy s PRO 61 Ca 0.27 -0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.38 3hcy s PRO 61 Cb -0.05 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3hcy s PRO 61 CO -0.12 0.65 0.09 -1.21 0.04 0.00 0.00 177.00 176.46 3hcy s GLU 62 N -0.73 2.46 0.57 4.56 0.41 -1.26 -4.93 118.70 119.78 3hcy s GLU 62 Ca 0.16 -1.38 -0.20 0.00 -0.41 0.00 0.00 54.97 53.14 3hcy s GLU 62 Cb -0.13 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.92 3hcy s GLU 62 CO 0.05 0.28 1.24 -2.14 -0.49 0.00 0.00 175.26 174.20 3hcy s PRO 63 N -3.77 3.07 -0.05 0.39 0.02 -1.26 -4.73 135.00 128.66 3hcy s PRO 63 Ca 0.34 1.93 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3hcy s PRO 63 Cb -0.05 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3hcy s PRO 63 CO 0.22 -1.16 -0.24 0.42 -0.33 0.00 0.00 177.00 175.91 3hcy s ILE 64 N -1.50 1.99 0.03 2.83 -1.09 -0.66 -5.00 121.20 117.79 3hcy s ILE 64 Ca 0.75 -1.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.22 3hcy s ILE 64 Cb -0.33 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.85 3hcy s ILE 64 CO 0.37 0.56 -0.25 -0.36 -1.23 0.00 0.00 174.94 174.03 3hcy s PHE 65 N -0.21 2.18 -0.26 3.97 0.08 -1.26 -1.29 117.98 121.20 3hcy s PHE 65 Ca -0.02 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 3hcy s PHE 65 Cb -0.13 -1.33 0.08 0.00 -0.57 0.00 0.00 43.02 41.07 3hcy s PHE 65 CO 0.03 0.08 0.05 0.08 -0.10 0.00 0.00 175.22 175.35 3hcy s VAL 66 N -0.74 0.94 0.04 -0.44 1.01 0.23 -5.02 120.40 116.42 3hcy s VAL 66 Ca 0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3hcy s VAL 66 Cb -0.10 -1.52 -0.27 0.00 0.00 0.00 0.00 36.38 34.49 3hcy s VAL 66 CO 0.01 -0.41 0.99 -0.33 0.00 0.00 0.00 175.10 175.36 3hcy h GLU 67 N 8.10 0.23 -3.54 2.72 5.08 -1.83 -0.47 114.58 124.87 3hcy h GLU 67 Ca -0.15 -0.39 -0.35 0.00 -1.00 0.00 0.00 59.36 57.48 3hcy h GLU 67 Cb 1.06 0.14 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 3hcy h GLU 67 CO 0.42 1.12 -0.74 1.21 -1.00 0.00 0.00 179.01 180.01 3hcy s ASN 68 N -6.98 0.63 0.22 1.42 3.84 -1.25 -1.35 114.94 111.47 3hcy s ASN 68 Ca -0.06 0.02 -0.08 0.00 0.21 0.00 0.00 52.86 52.95 3hcy s ASN 68 Cb 0.07 -0.17 0.18 0.00 -0.55 0.00 0.00 41.25 40.78 3hcy s ASN 68 CO 0.86 -0.16 1.83 0.58 -2.79 0.00 0.00 177.10 177.42 3hcy h VAL 69 N 6.32 1.25 0.00 -5.21 2.07 -1.17 -2.00 116.25 117.51 3hcy h VAL 69 Ca -0.33 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3hcy h VAL 69 Cb 1.12 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hcy h VAL 69 CO 0.36 0.29 -0.02 0.44 0.02 0.00 0.00 177.57 178.67 3hcy h ASP 70 N 1.18 0.00 -0.58 0.57 3.32 -1.96 0.15 116.42 119.10 3hcy h ASP 70 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hcy h ASP 70 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hcy h ASP 70 CO -0.04 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 177.96 3hcy n ASP 71 N -3.86 3.49 -4.84 6.45 8.00 -0.76 -4.99 116.55 120.03 3hcy n ASP 71 Ca -0.03 -1.99 -0.25 0.00 0.71 0.00 0.00 54.79 53.24 3hcy n ASP 71 Cb 0.10 -0.38 0.08 0.00 -0.02 0.00 0.00 41.12 40.90 3hcy n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hcy s ALA 72 N -1.24 3.27 -0.45 2.24 0.00 0.51 -5.00 121.76 121.09 3hcy s ALA 72 Ca 0.43 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 3hcy s ALA 72 Cb 0.23 -2.46 0.08 0.00 0.00 0.00 0.00 23.12 20.97 3hcy s ALA 72 CO 0.31 -1.32 2.71 0.39 0.00 0.00 0.00 175.76 177.84 3hcy n GLU 73 N -2.89 2.36 -4.26 0.00 1.02 -1.26 -4.99 120.64 110.62 3hcy n GLU 73 Ca 0.09 -2.30 -0.34 0.00 -0.02 0.00 0.00 57.16 54.60 3hcy n GLU 73 Cb 0.60 -2.10 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 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 -1.75 3.11 0.04 -0.32 2.99 -1.26 -5.07 117.98 115.71 3hcy s PHE 74 Ca 0.57 -0.14 -0.29 0.00 0.00 0.00 0.00 56.93 57.07 3hcy s PHE 74 Cb 0.37 -1.99 -0.15 0.00 0.00 0.00 0.00 43.02 41.25 3hcy s PHE 74 CO -0.21 0.06 0.73 -1.13 -0.00 0.00 0.00 175.22 174.68 3hcy n SER 75 N 3.46 -0.23 -0.24 1.36 3.41 -1.26 -4.56 113.62 115.55 3hcy n SER 75 Ca -0.17 0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 59.29 3hcy n SER 75 Cb 0.52 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 3hcy n SER 75 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hcy n ARG 76 N 1.07 -0.21 -0.26 4.33 0.00 -1.26 -0.55 116.66 119.79 3hcy n ARG 76 Ca 0.15 0.92 0.03 0.00 -0.00 0.00 0.00 57.85 58.95 3hcy n ARG 76 Cb 0.09 -1.36 0.16 0.00 -0.00 0.00 0.00 32.46 31.35 3hcy n ARG 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hcy h GLU 77 N 0.00 0.57 0.12 2.89 5.08 -1.99 0.19 114.58 121.44 3hcy h GLU 77 Ca 0.15 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.17 3hcy h GLU 77 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hcy h GLU 77 CO -0.58 0.38 -1.54 1.25 -1.00 0.00 0.00 179.01 177.52 3hcy h LEU 78 N 0.59 0.39 -1.02 1.33 5.85 -1.15 -1.28 115.31 120.01 3hcy h LEU 78 Ca 0.38 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3hcy h LEU 78 Cb 0.45 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3hcy h LEU 78 CO -0.30 1.45 0.44 0.50 -0.34 0.00 0.00 178.44 180.20 3hcy h LYS 79 N 0.07 1.13 -0.33 1.25 3.64 -1.22 -2.20 116.57 118.91 3hcy h LYS 79 Ca -0.25 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 3hcy h LYS 79 Cb 2.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 3hcy h LYS 79 CO 0.16 0.82 -0.09 1.49 -2.27 0.00 0.00 179.45 179.56 3hcy h GLU 80 N 1.13 0.55 -0.51 1.90 4.57 -0.42 -2.20 114.58 119.59 3hcy h GLU 80 Ca 0.29 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3hcy h GLU 80 Cb 0.03 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3hcy h GLU 80 CO -0.05 0.64 0.02 0.77 -1.18 0.00 0.00 179.01 179.22 3hcy h SER 81 N 0.51 0.87 0.57 1.04 0.02 -1.01 -0.30 113.55 115.25 3hcy h SER 81 Ca 0.10 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3hcy h SER 81 Cb 0.47 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.78 3hcy h SER 81 CO 0.03 0.96 -0.27 0.40 -1.14 0.00 0.00 176.83 176.80 3hcy h ILE 82 N 0.76 0.14 -0.86 3.27 2.04 -1.14 -2.62 117.51 119.10 3hcy h ILE 82 Ca 0.15 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3hcy h ILE 82 Cb 0.50 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3hcy h ILE 82 CO 0.02 0.03 0.56 0.58 0.00 0.00 0.00 178.15 179.34 3hcy h VAL 83 N -1.14 1.16 0.00 1.67 2.07 -1.44 0.04 116.25 118.61 3hcy h VAL 83 Ca -0.08 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3hcy h VAL 83 Cb 0.63 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3hcy h VAL 83 CO 0.13 0.20 -0.10 1.23 0.02 0.00 0.00 177.57 179.04 3hcy h GLY 84 N 1.10 0.00 2.00 2.17 0.00 -1.09 0.64 103.07 107.89 3hcy h GLY 84 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hcy h GLY 84 CO -0.11 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 174.34 3hcy h GLU 85 N 0.00 0.00 0.00 4.80 4.57 -0.60 -3.47 114.58 119.88 3hcy h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hcy h GLU 85 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3hcy h GLU 85 CO 0.01 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 3hcy n GLY 86 N 0.13 0.98 3.85 1.92 0.00 0.22 -5.01 105.19 107.28 3hcy n GLY 86 Ca 0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 5.39 -0.03 -0.61 1.01 -1.10 -4.58 121.20 119.28 3hcy s ILE 87 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.08 3hcy s ILE 87 Cb 0.00 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3hcy s ILE 87 CO 0.00 0.59 0.10 0.00 0.00 0.00 0.00 174.94 175.63 3hcy n ALA 88 N 2.14 2.10 -3.21 9.38 0.00 0.09 -4.00 120.51 127.00 3hcy n ALA 88 Ca -0.18 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 3hcy n ALA 88 Cb 0.54 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.35 -0.73 0.03 0.00 0.00 -0.19 -0.66 121.76 117.86 3hcy s ALA 89 Ca -0.03 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 3hcy s ALA 89 Cb 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3hcy s ALA 89 CO 0.28 -0.22 0.32 -0.51 0.00 0.00 0.00 175.76 175.62 3hcy s LEU 90 N -0.91 0.81 -0.09 0.00 1.02 -0.18 -0.47 118.68 118.86 3hcy s LEU 90 Ca -0.10 -0.09 0.01 0.00 0.02 0.00 0.00 54.13 53.97 3hcy s LEU 90 Cb -0.05 1.38 0.02 0.00 0.02 0.00 0.00 46.19 47.56 3hcy s LEU 90 CO 0.03 -0.58 -0.12 -0.83 0.02 0.00 0.00 176.35 174.87 3hcy s GLY 91 N -1.87 0.87 -0.23 -3.19 0.00 0.17 -0.60 107.32 102.48 3hcy s GLY 91 Ca -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 3hcy s GLY 91 CO -0.01 0.37 -0.00 -1.36 0.00 0.00 0.00 173.10 172.09 3hcy s PHE 92 N 1.08 3.00 -0.19 1.90 0.08 -0.41 -1.58 117.98 121.86 3hcy s PHE 92 Ca -0.06 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.28 3hcy s PHE 92 Cb -0.14 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3hcy s PHE 92 CO -0.02 -0.45 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.47 3hcy s PHE 93 N 1.45 2.51 0.42 0.36 0.08 -0.60 -1.66 117.98 120.53 3hcy s PHE 93 Ca 0.05 -1.61 -0.27 0.00 0.12 0.00 0.00 56.93 55.23 3hcy s PHE 93 Cb -0.15 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.51 3hcy s PHE 93 CO -0.00 -0.75 1.45 -2.14 -0.10 0.00 0.00 175.22 173.67 3hcy s PRO 94 N 1.37 3.88 -0.19 0.24 0.02 -1.26 -1.17 135.00 137.89 3hcy s PRO 94 Ca 0.00 2.48 -0.05 0.00 0.02 0.00 0.00 61.00 63.45 3hcy s PRO 94 Cb -0.15 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.54 3hcy s PRO 94 CO -0.09 -0.68 0.00 -0.51 -0.33 0.00 0.00 177.00 175.39 3hcy s LEU 95 N -2.43 3.32 -0.01 -5.54 1.43 0.55 -4.84 118.68 111.15 3hcy s LEU 95 Ca 0.57 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 3hcy s LEU 95 Cb -0.45 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 3hcy s LEU 95 CO 0.59 0.09 -0.11 -0.69 0.23 0.00 0.00 176.35 176.47 3hcy s VAL 96 N 0.84 0.86 -0.09 -1.59 1.01 -1.26 0.35 120.40 120.52 3hcy s VAL 96 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3hcy s VAL 96 Cb -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.54 3hcy s VAL 96 CO 0.02 0.25 0.04 0.42 0.00 0.00 0.00 175.10 175.83 3hcy s THR 97 N -0.11 0.16 -0.49 3.92 -4.23 -0.15 -4.68 115.64 110.06 3hcy s THR 97 Ca 0.02 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 3hcy s THR 97 Cb -0.06 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.32 3hcy s THR 97 CO -0.00 0.11 0.00 -0.62 -0.54 0.00 0.00 174.62 173.57 3hcy n GLU 98 N 5.21 -0.61 -1.38 3.99 -0.58 -1.26 -3.25 120.64 122.77 3hcy n GLU 98 Ca -0.06 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3hcy n GLU 98 Cb 0.50 -4.25 0.00 0.00 -0.57 0.00 0.00 31.44 27.11 3hcy n GLU 98 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hcy n GLY 99 N -1.85 0.96 3.41 0.62 0.00 -1.26 -5.09 105.19 101.98 3hcy n GLY 99 Ca -0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 3hcy n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hcy s ARG 100 N -2.73 0.79 0.20 1.61 3.52 -1.20 -5.02 118.95 116.11 3hcy s ARG 100 Ca 0.00 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 3hcy s ARG 100 Cb 0.00 0.37 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 3hcy s ARG 100 CO 0.00 -0.19 1.16 -1.17 -0.81 0.00 0.00 175.30 174.29 3hcy s LEU 101 N -0.65 4.47 0.00 -0.88 2.96 -1.26 -0.97 118.68 122.34 3hcy s LEU 101 Ca -0.07 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 3hcy s LEU 101 Cb -0.03 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3hcy s LEU 101 CO 0.05 -0.31 0.08 -0.38 -1.32 0.00 0.00 176.35 174.46 3hcy n ILE 102 N 2.28 0.00 -2.93 6.68 5.41 0.15 -4.90 119.36 126.06 3hcy n ILE 102 Ca 0.03 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3hcy n ILE 102 Cb 0.45 1.12 0.00 0.00 -0.71 0.00 0.00 39.64 40.50 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 0.40 -0.47 3.41 7.39 0.00 -1.17 -1.02 105.19 113.73 3hcy n GLY 103 Ca 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 1.22 0.05 1.61 -2.85 0.74 -0.33 119.74 118.18 3hcy s LYS 104 Ca 0.00 -0.43 0.04 0.00 -1.00 0.00 0.00 55.97 54.58 3hcy s LYS 104 Cb 0.00 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.31 3hcy s LYS 104 CO 0.00 -0.51 -0.11 -0.59 0.10 0.00 0.00 175.35 174.24 3hcy s PHE 105 N -3.47 0.95 -0.02 1.78 -0.12 -0.32 -0.36 117.98 116.43 3hcy s PHE 105 Ca -0.00 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.49 3hcy s PHE 105 Cb -0.01 -0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3hcy s PHE 105 CO -0.10 -0.01 -0.16 -1.64 -0.05 0.00 0.00 175.22 173.26 3hcy s MET 106 N -1.49 1.34 -0.06 1.99 -1.94 -0.19 -1.56 119.30 117.38 3hcy s MET 106 Ca -0.05 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3hcy s MET 106 Cb -0.09 -1.28 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 3hcy s MET 106 CO 0.01 0.33 -0.10 0.95 -0.01 0.00 0.00 175.02 176.20 3hcy s THR 107 N -0.31 3.41 0.05 2.05 -4.23 -0.61 -1.49 115.64 114.50 3hcy s THR 107 Ca 0.05 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 3hcy s THR 107 Cb -0.07 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 3hcy s THR 107 CO -0.00 0.59 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.12 3hcy s TYR 108 N -0.70 2.05 -0.06 3.99 2.02 -0.33 -0.66 117.35 123.66 3hcy s TYR 108 Ca 0.11 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3hcy s TYR 108 Cb -0.11 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3hcy s TYR 108 CO 0.01 0.13 -0.09 0.71 -1.57 0.00 0.00 175.55 174.74 3hcy s TYR 109 N -0.83 1.15 -0.46 2.71 2.02 0.38 -1.40 117.35 120.91 3hcy s TYR 109 Ca 0.10 -0.40 0.24 0.00 -0.37 0.00 0.00 57.07 56.64 3hcy s TYR 109 Cb -0.09 -0.90 1.00 0.00 -0.40 0.00 0.00 41.96 41.57 3hcy s TYR 109 CO 0.02 -0.25 1.73 -0.25 -1.57 0.00 0.00 175.55 175.23 3hcy n ASP 110 N 3.95 0.71 -4.25 2.29 8.00 -1.26 -0.73 116.55 125.25 3hcy n ASP 110 Ca -0.23 0.67 -0.14 0.00 0.71 0.00 0.00 54.79 55.80 3hcy n ASP 110 Cb 0.51 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 3hcy n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hcy s ARG 111 N -3.33 1.08 0.62 -1.24 1.70 -1.26 -3.98 118.95 112.54 3hcy s ARG 111 Ca 0.04 -1.48 -0.17 0.00 -0.47 0.00 0.00 55.73 53.65 3hcy s ARG 111 Cb 0.09 -0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 33.84 3hcy s ARG 111 CO 0.40 0.02 0.21 -2.30 -1.08 0.00 0.00 175.30 172.55 3hcy n PRO 112 N -0.22 0.25 -3.60 3.89 -0.02 -1.26 -4.31 135.00 129.73 3hcy n PRO 112 Ca -0.09 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.46 3hcy n PRO 112 Cb 0.61 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.88 -1.21 0.19 6.00 2.46 -0.45 -4.98 115.29 115.41 3hcy s HIS 113 Ca 0.62 2.03 -0.30 0.00 0.47 0.00 0.00 55.06 57.88 3hcy s HIS 113 Cb -0.42 0.63 -0.08 0.00 -0.13 0.00 0.00 32.58 32.59 3hcy s HIS 113 CO 0.61 -0.64 0.99 -0.98 -2.47 0.00 0.00 174.74 172.26 3hcy s ARG 114 N 2.81 4.74 -0.42 2.88 3.03 -1.26 -4.31 118.95 126.41 3hcy s ARG 114 Ca -0.02 1.55 -0.17 0.00 2.03 0.00 0.00 55.73 59.12 3hcy s ARG 114 Cb -0.12 -3.30 0.02 0.00 -1.03 0.00 0.00 34.95 30.51 3hcy s ARG 114 CO -0.17 0.31 0.44 -0.06 -1.13 0.00 0.00 175.30 174.68 3hcy s PHE 115 N -0.61 3.17 0.32 5.89 0.40 -1.26 -5.02 117.98 120.86 3hcy s PHE 115 Ca 0.45 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 56.13 3hcy s PHE 115 Cb -0.26 -2.89 -0.10 0.00 0.51 0.00 0.00 43.02 40.27 3hcy s PHE 115 CO 0.33 -0.70 1.30 0.00 0.70 0.00 0.00 175.22 176.85 3hcy s ALA 116 N 2.14 3.50 0.15 5.36 0.00 -1.26 -4.90 121.76 126.75 3hcy s ALA 116 Ca 0.12 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 3hcy s ALA 116 Cb -0.17 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3hcy s ALA 116 CO 0.14 -0.62 1.66 -0.44 0.00 0.00 0.00 175.76 176.49 3hcy h ASP 117 N 3.59 -0.54 -0.89 0.00 3.32 -2.00 -0.89 116.42 119.01 3hcy h ASP 117 Ca -0.48 0.11 0.17 0.00 0.02 0.00 0.00 57.03 56.84 3hcy h ASP 117 Cb 1.22 0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.89 3hcy h ASP 117 CO 0.67 -0.21 -0.27 -1.28 -1.72 0.00 0.00 179.24 176.43 3hcy h SER 118 N -0.16 -0.99 0.15 6.45 0.87 -1.99 0.53 113.55 118.40 3hcy h SER 118 Ca 0.13 0.27 -0.19 0.00 -1.23 0.00 0.00 61.79 60.77 3hcy h SER 118 Cb 0.36 0.60 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3hcy h SER 118 CO -0.33 -0.30 -0.74 -0.33 -0.53 0.00 0.00 176.83 174.60 3hcy h GLU 119 N -0.02 0.51 -0.33 2.24 5.08 -1.57 -0.36 114.58 120.13 3hcy h GLU 119 Ca 0.39 -0.42 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3hcy h GLU 119 Cb 0.63 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3hcy h GLU 119 CO -0.91 1.05 -0.06 0.82 -1.00 0.00 0.00 179.01 178.91 3hcy h ILE 120 N 0.35 0.69 -0.28 3.13 2.04 -0.60 0.22 117.51 123.06 3hcy h ILE 120 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3hcy h ILE 120 Cb 1.33 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3hcy h ILE 120 CO 0.13 0.01 0.17 1.23 0.00 0.00 0.00 178.15 179.69 3hcy h GLY 121 N 0.03 0.39 0.48 5.37 0.00 -0.47 0.63 103.07 109.49 3hcy h GLY 121 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.42 3hcy h GLY 121 CO -0.32 0.12 0.01 -0.33 0.00 0.00 0.00 176.54 176.02 3hcy h MET 122 N 0.35 0.11 -0.36 4.80 2.86 -0.60 -2.13 114.93 119.96 3hcy h MET 122 Ca 0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3hcy h MET 122 Cb -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3hcy h MET 122 CO -0.04 0.07 0.20 0.00 1.06 0.00 0.00 176.91 178.20 3hcy h ALA 123 N 1.29 0.46 -0.75 6.32 0.00 0.39 -1.23 119.26 125.74 3hcy h ALA 123 Ca 0.17 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3hcy h ALA 123 Cb 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3hcy h ALA 123 CO -0.27 -0.02 0.37 -0.07 0.00 0.00 0.00 179.25 179.26 3hcy h LEU 124 N 0.46 0.46 -0.49 0.00 3.38 -0.89 0.13 115.31 118.36 3hcy h LEU 124 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hcy h LEU 124 Cb 0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hcy h LEU 124 CO -0.02 0.24 0.32 0.74 0.09 0.00 0.00 178.44 179.81 3hcy h THR 125 N 0.60 1.13 -0.42 0.22 2.02 -0.55 0.58 112.91 116.49 3hcy h THR 125 Ca 0.38 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 3hcy h THR 125 Cb 0.45 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hcy h THR 125 CO -0.30 0.12 -0.21 0.40 0.37 0.00 0.00 175.52 175.90 3hcy h ILE 126 N 0.66 1.27 -0.89 3.11 2.04 -0.68 -2.04 117.51 120.98 3hcy h ILE 126 Ca 0.18 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.72 3hcy h ILE 126 Cb -0.07 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3hcy h ILE 126 CO -0.04 0.45 0.59 0.00 0.00 0.00 0.00 178.15 179.15 3hcy h ALA 127 N 1.03 1.15 -0.48 1.87 0.00 -0.23 0.46 119.26 123.06 3hcy h ALA 127 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hcy h ALA 127 Cb 0.74 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hcy h ALA 127 CO 0.06 0.51 0.29 0.00 0.00 0.00 0.00 179.25 180.11 3hcy h ARG 128 N 1.19 0.65 -0.14 0.00 3.08 -0.38 -1.84 114.38 116.93 3hcy h ARG 128 Ca 0.34 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 3hcy h ARG 128 Cb -0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3hcy h ARG 128 CO -0.08 0.47 -0.31 0.37 -1.07 0.00 0.00 179.97 179.35 3hcy h GLN 129 N 0.64 0.28 -0.24 0.04 4.15 -0.62 0.14 115.11 119.50 3hcy h GLN 129 Ca 0.17 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3hcy h GLN 129 Cb -0.01 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3hcy h GLN 129 CO -0.03 0.56 0.08 1.25 -1.93 0.00 0.00 178.83 178.76 3hcy h LEU 130 N 0.25 0.35 -0.07 -2.39 5.85 -0.77 0.09 115.31 118.62 3hcy h LEU 130 Ca 0.03 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3hcy h LEU 130 Cb 0.67 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3hcy h LEU 130 CO 0.05 0.46 -0.32 1.23 -0.34 0.00 0.00 178.44 179.52 3hcy h GLY 131 N 0.22 -0.49 1.35 3.75 0.00 -0.46 0.12 103.07 107.57 3hcy h GLY 131 Ca 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.76 3hcy h GLY 131 CO -0.00 -0.23 0.19 0.74 0.00 0.00 0.00 176.54 177.24 3hcy h PHE 132 N -0.43 0.84 -0.55 5.60 0.04 -0.94 0.36 116.94 121.86 3hcy h PHE 132 Ca 0.08 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 3hcy h PHE 132 Cb 0.55 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3hcy h PHE 132 CO -0.38 0.67 0.11 0.77 -0.60 0.00 0.00 178.31 178.88 3hcy h SER 133 N 0.81 0.85 0.16 2.17 0.02 -0.29 -1.72 113.55 115.56 3hcy h SER 133 Ca 0.19 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3hcy h SER 133 Cb 0.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3hcy h SER 133 CO -0.01 0.88 -0.08 0.40 -1.14 0.00 0.00 176.83 176.88 3hcy h ILE 134 N 0.79 0.94 -0.79 3.27 2.04 -0.01 -0.26 117.51 123.49 3hcy h ILE 134 Ca 0.17 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3hcy h ILE 134 Cb 0.37 1.26 -0.13 0.00 -0.74 0.00 0.00 36.82 37.58 3hcy h ILE 134 CO 0.01 0.12 -0.42 -0.61 0.00 0.00 0.00 178.15 177.24 3hcy h GLN 135 N -0.47 -0.10 -0.00 2.37 4.15 -0.16 -2.30 115.11 118.60 3hcy h GLN 135 Ca -0.02 0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.19 3hcy h GLN 135 Cb 0.36 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3hcy h GLN 135 CO 0.04 -0.07 -0.92 0.00 -1.93 0.00 0.00 178.83 175.95 3hcy h ARG 136 N -0.10 0.36 0.07 1.69 3.08 -1.29 -2.14 114.38 116.05 3hcy h ARG 136 Ca 0.25 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3hcy h ARG 136 Cb 0.55 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3hcy h ARG 136 CO -0.83 1.06 -0.03 0.52 -1.07 0.00 0.00 179.97 179.62 3hcy h MET 137 N 0.20 -0.09 -0.05 0.04 2.86 -0.59 -2.19 114.93 115.11 3hcy h MET 137 Ca -0.07 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3hcy h MET 137 Cb 1.55 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 3hcy h MET 137 CO 0.15 0.45 -0.14 0.07 1.06 0.00 0.00 176.91 178.50 3hcy h ARG 138 N -0.73 0.07 -0.73 1.72 -0.00 -1.55 -1.82 114.38 111.35 3hcy h ARG 138 Ca -0.01 -0.01 0.14 0.00 -0.00 0.00 0.00 59.98 60.10 3hcy h ARG 138 Cb 0.58 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.97 30.44 3hcy h ARG 138 CO 0.02 0.21 0.25 0.00 -0.00 0.00 0.00 179.97 180.45 3hcy h ALA 139 N 1.80 0.99 -0.26 0.08 0.00 -1.33 0.55 119.26 121.09 3hcy h ALA 139 Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hcy h ALA 139 Cb 0.29 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hcy h ALA 139 CO 0.02 -0.26 -0.02 0.93 0.00 0.00 0.00 179.25 179.92 3hcy h GLU 140 N 0.37 0.47 -0.84 0.00 4.39 -0.68 0.57 114.58 118.85 3hcy h GLU 140 Ca 0.40 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 3hcy h GLU 140 Cb 0.63 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3hcy h GLU 140 CO -0.43 0.65 0.45 -0.92 -1.16 0.00 0.00 179.01 177.61 3hcy h TYR 141 N 0.23 1.16 -0.05 4.33 -0.00 -0.81 -2.89 116.97 118.95 3hcy h TYR 141 Ca 0.07 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.75 3hcy h TYR 141 Cb 0.46 -0.37 -0.00 0.00 -0.00 0.00 0.00 36.73 36.82 3hcy h TYR 141 CO 0.04 0.81 -0.07 0.00 -0.00 0.00 0.00 178.16 178.94 3hcy h ALA 142 N 1.32 0.07 -0.82 1.82 0.00 0.18 -3.25 119.26 118.58 3hcy h ALA 142 Ca 0.30 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3hcy h ALA 142 Cb 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 3hcy h ALA 142 CO -0.05 -0.11 -0.23 -0.09 0.00 0.00 0.00 179.25 178.78 3hcy h ARG 143 N -0.35 -0.01 -5.33 0.00 2.43 -0.73 -3.12 114.38 107.27 3hcy h ARG 143 Ca 0.01 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3hcy h ARG 143 Cb 0.60 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3hcy h ARG 143 CO 0.02 -0.01 0.59 1.03 -1.51 0.00 0.00 179.97 180.08 3hcy s ARG 144 N -6.20 1.90 0.00 0.20 0.52 -1.10 -5.11 118.95 109.15 3hcy s ARG 144 Ca -0.15 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 3hcy s ARG 144 Cb 0.22 -5.11 0.00 0.00 0.52 0.00 0.00 34.95 30.59 3hcy s ARG 144 CO 0.75 -4.63 0.00 0.00 0.02 0.00 0.00 175.30 171.44