#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htr s GLU 4 N 0.00 3.02 -0.06 0.54 2.56 -1.26 -5.04 118.70 118.47 3htr s GLU 4 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 54.97 53.61 3htr s GLU 4 Cb 0.00 -4.23 -0.02 0.00 2.00 0.00 0.00 34.13 31.88 3htr s GLU 4 CO 0.00 -1.33 -0.19 0.95 -0.56 0.00 0.00 175.26 174.13 3htr s THR 5 N 2.11 2.64 -0.04 -1.70 -4.23 -1.26 -5.00 115.64 108.15 3htr s THR 5 Ca 0.08 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 3htr s THR 5 Cb -0.26 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.68 3htr s THR 5 CO 0.06 0.58 0.97 -0.46 -0.54 0.00 0.00 174.62 175.22 3htr n ASN 6 N 2.64 1.37 -3.65 3.99 0.23 -1.26 -4.99 115.26 113.59 3htr n ASN 6 Ca -0.17 -2.21 -0.10 0.00 -0.53 0.00 0.00 54.58 51.57 3htr n ASN 6 Cb 0.52 -0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 37.95 3htr n ASN 6 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3htr s GLU 7 N -1.27 0.71 0.10 -3.83 2.12 -1.26 0.21 118.70 115.48 3htr s GLU 7 Ca 0.11 1.08 0.01 0.00 0.36 0.00 0.00 54.97 56.53 3htr s GLU 7 Cb 0.10 0.22 -0.00 0.00 0.26 0.00 0.00 34.13 34.70 3htr s GLU 7 CO 0.01 -0.13 0.03 0.25 -0.54 0.00 0.00 175.26 174.88 3htr n THR 8 N 3.71 0.00 -0.26 -1.70 -2.24 0.11 -4.99 114.28 108.90 3htr n THR 8 Ca -0.18 -0.57 -0.05 0.00 -2.27 0.00 0.00 64.05 60.97 3htr n THR 8 Cb 0.57 0.18 0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3htr n THR 8 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3htr h LEU 9 N 0.00 0.90 0.00 3.22 5.85 -2.05 -3.30 115.31 119.92 3htr h LEU 9 Ca -0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3htr h LEU 9 Cb 0.29 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3htr h LEU 9 CO 0.13 0.72 -1.87 0.29 -0.34 0.00 0.00 178.44 177.38 3htr n LYS 10 N -4.49 0.60 -4.71 1.25 5.02 -1.26 -4.99 118.16 109.59 3htr n LYS 10 Ca 0.06 -0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 55.90 3htr n LYS 10 Cb 0.08 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3htr n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3htr s LEU 11 N -4.32 2.20 -0.03 -0.35 1.43 -1.24 -5.13 118.68 111.23 3htr s LEU 11 Ca -0.07 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3htr s LEU 11 Cb 0.13 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 3htr s LEU 11 CO 0.84 0.20 -0.21 -0.51 0.23 0.00 0.00 176.35 176.90 3htr s ILE 12 N -0.87 1.72 0.22 -0.59 1.10 -1.26 0.03 121.20 121.56 3htr s ILE 12 Ca 0.10 -0.91 -0.27 0.00 -0.51 0.00 0.00 60.65 59.06 3htr s ILE 12 Cb -0.10 -1.44 -0.09 0.00 0.15 0.00 0.00 42.46 40.98 3htr s ILE 12 CO 0.03 0.49 0.86 -0.83 -2.11 0.00 0.00 174.94 173.37 3htr s GLY 13 N -0.34 2.96 0.54 1.50 0.00 0.13 -4.94 107.32 107.19 3htr s GLY 13 Ca 0.04 0.47 0.24 0.00 0.00 0.00 0.00 44.72 45.46 3htr s GLY 13 CO 0.01 0.98 2.07 1.48 0.00 0.00 0.00 173.10 177.64 3htr h SER 14 N 4.06 0.00 1.24 1.64 4.64 -1.99 0.24 113.55 123.37 3htr h SER 14 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3htr h SER 14 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3htr h SER 14 CO 0.67 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 3htr n ASP 15 N -4.26 0.57 -0.05 4.97 5.75 -1.26 -1.80 116.55 120.47 3htr n ASP 15 Ca 0.04 0.57 -0.21 0.00 -0.01 0.00 0.00 54.79 55.17 3htr n ASP 15 Cb 0.37 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.62 3htr n ASP 15 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3htr n LYS 16 N -2.05 0.70 -0.30 0.11 4.81 0.74 -4.25 118.16 117.92 3htr n LYS 16 Ca 0.05 0.28 0.09 0.00 -0.87 0.00 0.00 58.31 57.86 3htr n LYS 16 Cb 0.38 -1.66 0.25 0.00 0.02 0.00 0.00 35.03 34.02 3htr n LYS 16 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3htr h VAL 17 N -0.16 0.66 -2.92 3.15 2.07 -1.27 -3.34 116.25 114.44 3htr h VAL 17 Ca -0.47 -0.19 -0.53 0.00 0.82 0.00 0.00 66.70 66.33 3htr h VAL 17 Cb 1.88 0.04 0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3htr h VAL 17 CO -0.03 0.10 0.80 -1.10 0.02 0.00 0.00 177.57 177.37 3htr s GLN 18 N -5.95 4.28 0.00 1.57 -0.21 -0.74 -2.26 119.66 116.35 3htr s GLN 18 Ca -0.12 2.15 0.00 0.00 0.02 0.00 0.00 55.36 57.41 3htr s GLN 18 Cb 0.23 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3htr s GLN 18 CO 0.78 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 3htr n GLY 19 N 3.62 1.60 3.73 3.09 0.00 0.10 -4.92 105.19 112.42 3htr n GLY 19 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3htr n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3htr s THR 20 N -2.74 2.90 0.48 2.61 2.01 -0.96 -4.73 115.64 115.20 3htr s THR 20 Ca 0.00 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 3htr s THR 20 Cb 0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 3htr s THR 20 CO 0.00 0.08 1.25 0.00 -0.69 0.00 0.00 174.62 175.26 3htr s ALA 21 N 0.67 2.98 -0.13 7.40 0.00 -1.26 -1.02 121.76 130.40 3htr s ALA 21 Ca 0.64 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.74 3htr s ALA 21 Cb -0.40 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.26 3htr s ALA 21 CO 0.35 -0.91 -0.22 0.08 0.00 0.00 0.00 175.76 175.06 3htr s VAL 22 N -1.42 2.03 0.10 0.00 1.01 -0.06 -0.66 120.40 121.41 3htr s VAL 22 Ca 0.65 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3htr s VAL 22 Cb -0.34 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3htr s VAL 22 CO 0.41 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.60 3htr s TYR 23 N 0.69 2.62 0.56 5.22 2.02 0.14 -0.43 117.35 128.18 3htr s TYR 23 Ca -0.10 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3htr s TYR 23 Cb -0.16 -1.40 0.12 0.00 -0.40 0.00 0.00 41.96 40.12 3htr s TYR 23 CO 0.01 0.38 0.77 0.41 -1.57 0.00 0.00 175.55 175.55 3htr n GLY 24 N 0.89 0.19 0.37 0.71 0.00 -0.64 -0.94 105.19 105.76 3htr n GLY 24 Ca -0.15 -1.94 0.17 0.00 0.00 0.00 0.00 46.02 44.11 3htr n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3htr h PRO 25 N 0.00 0.11 -0.10 1.61 0.11 -1.79 -0.76 132.00 131.18 3htr h PRO 25 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3htr h PRO 25 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3htr h PRO 25 CO 0.25 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.71 3htr n ASP 26 N -4.42 1.19 0.00 -2.05 5.68 -1.26 -4.92 116.55 110.78 3htr n ASP 26 Ca 0.09 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 3htr n ASP 26 Cb 0.52 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3htr n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3htr n GLY 27 N 1.06 0.52 3.89 6.12 0.00 -0.29 -5.04 105.19 111.44 3htr n GLY 27 Ca 0.17 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 3htr n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3htr s GLU 28 N -0.86 3.46 0.01 1.61 -1.05 -1.26 -4.86 118.70 115.75 3htr s GLU 28 Ca 0.00 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 3htr s GLU 28 Cb 0.00 -3.16 -0.05 0.00 -0.44 0.00 0.00 34.13 30.48 3htr s GLU 28 CO 0.00 0.74 1.34 0.21 0.95 0.00 0.00 175.26 178.50 3htr s LYS 29 N -1.35 4.31 -0.20 -4.83 2.20 -1.26 -1.62 119.74 116.99 3htr s LYS 29 Ca 0.20 1.91 -0.09 0.00 -0.36 0.00 0.00 55.97 57.62 3htr s LYS 29 Cb -0.12 -3.51 -0.20 0.00 -1.51 0.00 0.00 37.83 32.48 3htr s LYS 29 CO 0.09 -0.51 0.07 -0.89 -0.36 0.00 0.00 175.35 173.76 3htr n ILE 30 N 4.51 1.62 -1.15 5.43 5.41 0.43 -4.94 119.36 130.67 3htr n ILE 30 Ca 0.12 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3htr n ILE 30 Cb 0.44 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 3htr n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3htr n GLY 31 N 1.83 1.22 3.39 7.39 0.00 -1.11 -4.40 105.19 113.50 3htr n GLY 31 Ca -0.39 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3htr n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htr s SER 32 N 2.00 -0.07 -0.16 1.61 1.04 -1.03 -0.88 113.70 116.21 3htr s SER 32 Ca 0.00 -0.69 -0.29 0.00 0.48 0.00 0.00 55.95 55.45 3htr s SER 32 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3htr s SER 32 CO 0.00 -0.93 1.01 -0.63 0.98 0.00 0.00 173.24 173.67 3htr s ILE 33 N -3.92 4.75 -0.04 -1.02 -1.09 -0.19 -1.21 121.20 118.49 3htr s ILE 33 Ca 0.13 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.56 3htr s ILE 33 Cb 0.02 -4.30 -0.26 0.00 -1.58 0.00 0.00 42.46 36.34 3htr s ILE 33 CO -0.03 -0.07 0.69 -0.08 -1.23 0.00 0.00 174.94 174.23 3htr h GLU 34 N 7.26 0.19 -1.84 2.79 4.81 -1.00 0.29 114.58 127.08 3htr h GLU 34 Ca -0.26 -0.32 0.25 0.00 -0.13 0.00 0.00 59.36 58.90 3htr h GLU 34 Cb 1.11 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 3htr h GLU 34 CO 0.91 0.98 0.68 -0.98 -0.73 0.00 0.00 179.01 179.87 3htr s ARG 35 N -2.60 0.71 0.00 1.92 1.70 -1.25 -4.72 118.95 114.70 3htr s ARG 35 Ca -0.11 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 3htr s ARG 35 Cb 0.07 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 3htr s ARG 35 CO 0.82 -0.32 0.00 0.28 -1.08 0.00 0.00 175.30 175.00 3htr n VAL 36 N -0.42 0.00 -3.64 4.99 0.31 -1.26 -0.05 118.33 118.26 3htr n VAL 36 Ca -0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.22 3htr n VAL 36 Cb 0.61 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.48 3htr n VAL 36 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3htr s ILE 38 N 2.72 0.00 0.02 2.52 1.01 -1.26 -4.96 121.20 121.25 3htr s ILE 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 3htr s ILE 38 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 3htr s ILE 38 CO 0.00 0.00 1.77 -1.61 0.00 0.00 0.00 174.94 175.10 3htr s GLU 39 N 0.47 4.17 0.34 2.79 2.02 0.25 -4.86 118.70 123.88 3htr s GLU 39 Ca 0.01 2.40 0.02 0.00 0.02 0.00 0.00 54.97 57.42 3htr s GLU 39 Cb -0.04 -3.91 0.63 0.00 0.10 0.00 0.00 34.13 30.91 3htr s GLU 39 CO -0.12 -0.85 1.99 0.87 0.02 0.00 0.00 175.26 177.17 3htr h LYS 40 N 9.47 0.86 0.05 1.61 1.57 -1.98 -0.65 116.57 127.50 3htr h LYS 40 Ca -0.44 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 3htr h LYS 40 Cb 1.21 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 3htr h LYS 40 CO 0.94 0.57 -1.53 0.28 -0.57 0.00 0.00 179.45 179.14 3htr h VAL 41 N 0.88 1.10 0.00 0.50 2.07 -1.98 -3.39 116.25 115.43 3htr h VAL 41 Ca 0.27 -2.85 -0.05 0.00 0.82 0.00 0.00 66.70 64.90 3htr h VAL 41 Cb 0.00 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3htr h VAL 41 CO -0.07 0.73 -1.94 -1.54 0.02 0.00 0.00 177.57 174.76 3htr n SER 42 N -3.27 0.10 0.00 0.57 3.41 -1.13 -4.97 113.62 108.32 3htr n SER 42 Ca -0.15 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3htr n SER 42 Cb 1.03 1.69 0.00 0.00 -0.26 0.00 0.00 64.21 66.67 3htr n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3htr n GLY 43 N 1.32 0.73 3.78 5.00 0.00 -0.27 -5.03 105.19 110.72 3htr n GLY 43 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3htr n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3htr s ARG 44 N -0.15 4.40 -0.03 1.61 0.52 -1.26 -4.79 118.95 119.25 3htr s ARG 44 Ca 0.00 0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 55.85 3htr s ARG 44 Cb 0.00 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 3htr s ARG 44 CO 0.00 0.49 1.52 0.08 0.02 0.00 0.00 175.30 177.41 3htr s VAL 45 N -0.71 3.64 -0.10 3.52 1.01 -1.26 -0.58 120.40 125.92 3htr s VAL 45 Ca 0.34 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 3htr s VAL 45 Cb -0.21 -3.59 -0.28 0.00 0.00 0.00 0.00 36.38 32.31 3htr s VAL 45 CO 0.22 -0.04 0.71 -1.28 0.00 0.00 0.00 175.10 174.71 3htr h SER 46 N 8.63 0.28 -4.91 3.32 0.87 -1.95 -3.44 113.55 116.34 3htr h SER 46 Ca -0.38 -0.90 0.03 0.00 -1.23 0.00 0.00 61.79 59.32 3htr h SER 46 Cb 1.17 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.92 3htr h SER 46 CO 0.94 1.35 0.30 -0.72 -0.53 0.00 0.00 176.83 178.17 3htr s TYR 47 N -2.38 -0.45 -0.01 2.24 -0.85 -1.26 -4.52 117.35 110.12 3htr s TYR 47 Ca -0.18 0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.60 3htr s TYR 47 Cb 0.01 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 3htr s TYR 47 CO 0.76 -0.80 0.09 0.00 -1.52 0.00 0.00 175.55 174.08 3htr s ALA 48 N -3.58 3.64 -0.37 9.51 0.00 0.30 -4.62 121.76 126.64 3htr s ALA 48 Ca 0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 3htr s ALA 48 Cb -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.48 3htr s ALA 48 CO -0.10 0.70 0.52 0.08 0.00 0.00 0.00 175.76 176.96 3htr s VAL 49 N -1.20 5.00 -0.33 0.00 1.01 0.93 -1.24 120.40 124.57 3htr s VAL 49 Ca 0.23 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 3htr s VAL 49 Cb -0.12 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3htr s VAL 49 CO 0.14 -0.30 0.94 -0.22 0.00 0.00 0.00 175.10 175.67 3htr s LEU 50 N 2.42 4.00 -0.18 3.92 2.96 0.39 -0.33 118.68 131.87 3htr s LEU 50 Ca 0.18 0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 3htr s LEU 50 Cb -0.15 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 3htr s LEU 50 CO 0.14 -0.79 0.41 -0.55 -1.32 0.00 0.00 176.35 174.24 3htr s SER 51 N 1.71 6.50 0.05 3.68 0.15 -0.35 -0.80 113.70 124.63 3htr s SER 51 Ca 0.39 0.59 -0.06 0.00 0.70 0.00 0.00 55.95 57.57 3htr s SER 51 Cb -0.13 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 3htr s SER 51 CO 0.15 -0.04 0.12 0.72 1.20 0.00 0.00 173.24 175.39 3htr s PHE 52 N 1.06 0.20 0.36 3.44 -0.12 -0.45 -2.46 117.98 120.01 3htr s PHE 52 Ca 0.21 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3htr s PHE 52 Cb -0.15 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 3htr s PHE 52 CO 0.08 -0.42 0.00 0.41 -0.05 0.00 0.00 175.22 175.24 3htr n GLY 53 N 0.50 -2.79 7.00 1.99 0.00 -1.26 -0.42 105.19 110.21 3htr n GLY 53 Ca -0.18 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3htr n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3htr n GLY 54 N -3.59 3.01 3.19 -0.02 0.00 -1.26 -4.14 105.19 102.38 3htr n GLY 54 Ca -0.04 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3htr n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3htr s PHE 55 N 0.00 1.22 -0.61 1.61 0.08 -0.35 -4.89 117.98 115.03 3htr s PHE 55 Ca 0.00 -0.52 -0.35 0.00 0.12 0.00 0.00 56.93 56.18 3htr s PHE 55 Cb 0.00 -0.67 -0.16 0.00 -0.57 0.00 0.00 43.02 41.62 3htr s PHE 55 CO 0.00 0.06 2.37 1.28 -0.10 0.00 0.00 175.22 178.83 3htr n LEU 56 N 0.94 1.20 0.00 -0.37 4.77 -1.26 -1.01 117.00 121.28 3htr n LEU 56 Ca -0.19 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3htr n LEU 56 Cb 0.56 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3htr n LEU 56 CO 0.24 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 3htr n GLY 57 N 6.71 3.07 2.96 -0.72 0.00 -1.26 -4.97 105.19 110.98 3htr n GLY 57 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 3htr n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3htr s ILE 58 N -1.92 1.65 0.00 -0.61 1.09 -0.18 -4.64 121.20 116.59 3htr s ILE 58 Ca 0.00 -1.36 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 3htr s ILE 58 Cb 0.00 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.48 3htr s ILE 58 CO 0.00 -0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.31 3htr n GLY 59 N 4.61 1.59 3.86 6.18 0.00 -1.26 -1.21 105.19 118.96 3htr n GLY 59 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3htr n GLY 59 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3htr s ASP 60 N -3.28 5.45 0.34 1.61 -4.77 -1.22 -4.16 116.67 110.65 3htr s ASP 60 Ca 0.00 1.31 0.08 0.00 -3.30 0.00 0.00 52.55 50.64 3htr s ASP 60 Cb 0.00 -2.17 -0.03 0.00 -1.09 0.00 0.00 42.92 39.63 3htr s ASP 60 CO 0.00 -1.36 0.22 -1.81 0.70 0.00 0.00 175.17 172.92 3htr s ASP 61 N -4.15 4.98 -0.01 2.11 -0.00 0.44 -4.93 116.67 115.12 3htr s ASP 61 Ca 0.58 -0.63 0.05 0.00 -0.00 0.00 0.00 52.55 52.54 3htr s ASP 61 Cb -0.12 -0.85 -0.01 0.00 -0.00 0.00 0.00 42.92 41.94 3htr s ASP 61 CO 0.53 -0.32 -0.16 -1.00 -0.00 0.00 0.00 175.17 174.22 3htr s HIS 62 N -2.36 1.40 -0.06 4.23 3.76 -1.26 -1.34 115.29 119.65 3htr s HIS 62 Ca 0.39 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3htr s HIS 62 Cb -0.04 -0.90 0.02 0.00 1.11 0.00 0.00 32.58 32.77 3htr s HIS 62 CO 0.25 -0.02 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.61 3htr s TYR 63 N -0.38 0.84 -0.22 1.40 6.14 0.02 -4.53 117.35 120.62 3htr s TYR 63 Ca 0.06 -0.27 -0.27 0.00 0.64 0.00 0.00 57.07 57.23 3htr s TYR 63 Cb -0.06 -0.81 -0.00 0.00 0.42 0.00 0.00 41.96 41.51 3htr s TYR 63 CO -0.01 -0.29 0.92 -1.25 0.64 0.00 0.00 175.55 175.56 3htr s PRO 64 N 1.43 4.24 -0.24 4.97 0.05 -1.26 -0.46 135.00 143.73 3htr s PRO 64 Ca -0.03 1.13 -0.03 0.00 0.05 0.00 0.00 61.00 62.12 3htr s PRO 64 Cb -0.13 -3.63 0.01 0.00 0.05 0.00 0.00 34.50 30.80 3htr s PRO 64 CO -0.03 -0.51 -0.03 -0.51 0.05 0.00 0.00 177.00 175.96 3htr s LEU 65 N 2.81 3.11 0.72 -3.56 1.43 -0.37 -4.92 118.68 117.89 3htr s LEU 65 Ca 0.39 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 3htr s LEU 65 Cb -0.16 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3htr s LEU 65 CO 0.08 -0.08 0.81 -2.65 0.23 0.00 0.00 176.35 174.74 3htr n PRO 66 N 4.76 0.42 -0.15 1.29 -0.02 -1.26 -0.53 135.00 139.50 3htr n PRO 66 Ca -0.17 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 3htr n PRO 66 Cb 0.49 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3htr n PRO 66 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3htr h TRP 67 N -0.32 0.64 0.00 6.00 2.91 -1.85 -1.82 115.95 121.51 3htr h TRP 67 Ca -0.47 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.53 3htr h TRP 67 Cb 1.34 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.79 3htr h TRP 67 CO 0.38 0.51 -0.00 -1.35 -1.03 0.00 0.00 178.44 176.95 3htr h PRO 68 N 0.58 0.00 0.00 2.65 0.11 -1.97 -1.76 132.00 131.61 3htr h PRO 68 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3htr h PRO 68 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3htr h PRO 68 CO -0.02 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.77 3htr h ALA 69 N 2.00 1.00 -2.24 -0.75 0.00 -1.67 -3.41 119.26 114.18 3htr h ALA 69 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3htr h ALA 69 Cb 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 3htr h ALA 69 CO 0.00 0.00 0.06 -0.51 0.00 0.00 0.00 179.25 178.80 3htr s LEU 70 N -4.98 4.54 -0.27 0.00 1.43 -0.66 -4.56 118.68 114.17 3htr s LEU 70 Ca 0.02 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3htr s LEU 70 Cb 0.09 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3htr s LEU 70 CO 0.39 -0.72 0.04 -0.54 0.23 0.00 0.00 176.35 175.75 3htr s LYS 71 N 2.68 3.17 0.14 1.70 1.02 -1.11 -4.95 119.74 122.38 3htr s LYS 71 Ca 0.21 -0.79 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 3htr s LYS 71 Cb -0.15 -3.24 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 3htr s LYS 71 CO 0.18 -0.36 1.44 -0.47 -0.92 0.00 0.00 175.35 175.21 3htr s TYR 72 N 1.48 3.18 -0.34 3.18 5.04 -1.26 0.05 117.35 128.68 3htr s TYR 72 Ca 0.03 0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 3htr s TYR 72 Cb -0.16 -3.76 0.08 0.00 0.35 0.00 0.00 41.96 38.47 3htr s TYR 72 CO 0.01 -2.68 0.08 1.21 -1.34 0.00 0.00 175.55 172.83 3htr s ASN 73 N 1.04 5.00 0.19 4.32 3.84 0.52 -4.87 114.94 124.99 3htr s ASN 73 Ca 0.66 -1.67 -0.12 0.00 0.21 0.00 0.00 52.86 51.94 3htr s ASN 73 Cb -0.39 -1.74 0.16 0.00 -0.55 0.00 0.00 41.25 38.73 3htr s ASN 73 CO 0.31 -0.38 1.81 0.58 -2.79 0.00 0.00 177.10 176.63 3htr h VAL 74 N 6.45 1.01 0.01 -5.21 2.07 -1.94 0.15 116.25 118.79 3htr h VAL 74 Ca -0.16 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3htr h VAL 74 Cb 1.05 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3htr h VAL 74 CO 0.59 0.11 -0.11 -0.33 0.02 0.00 0.00 177.57 177.86 3htr h GLU 75 N 0.63 -0.18 0.00 1.57 5.08 -1.95 -2.61 114.58 117.12 3htr h GLU 75 Ca 0.25 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3htr h GLU 75 Cb 0.10 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3htr h GLU 75 CO -0.14 -0.12 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.53 3htr h LEU 76 N -0.19 0.00 -1.13 1.33 3.38 -1.93 -3.47 115.31 113.30 3htr h LEU 76 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3htr h LEU 76 Cb 0.23 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.04 3htr h LEU 76 CO -0.10 0.16 -0.26 0.61 0.09 0.00 0.00 178.44 178.93 3htr n GLY 77 N 0.55 0.35 1.53 0.83 0.00 0.52 -5.03 105.19 103.94 3htr n GLY 77 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3htr n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3htr n GLY 78 N -1.06 0.61 3.77 -0.02 0.00 -1.11 -4.56 105.19 102.82 3htr n GLY 78 Ca -0.02 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 3htr n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htr s TYR 79 N -3.11 3.57 -0.12 1.61 2.02 0.17 -0.35 117.35 121.13 3htr s TYR 79 Ca 0.11 1.73 0.02 0.00 -0.37 0.00 0.00 57.07 58.56 3htr s TYR 79 Cb -0.00 -3.13 -0.00 0.00 -0.40 0.00 0.00 41.96 38.42 3htr s TYR 79 CO 0.00 -0.30 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.35 3htr s GLN 80 N -1.82 3.16 0.00 -0.62 0.74 0.11 0.24 119.66 121.47 3htr s GLN 80 Ca 0.49 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 55.09 3htr s GLN 80 Cb -0.26 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.41 3htr s GLN 80 CO 0.33 0.16 0.00 1.33 -0.55 0.00 0.00 175.29 176.56 3htr n VAL 81 N 3.61 0.00 0.00 1.34 0.24 -0.12 -2.76 118.33 120.64 3htr n VAL 81 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3htr n VAL 81 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3htr n VAL 81 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3htr n VAL 83 N 0.00 0.00 -2.92 3.34 0.24 -1.26 -3.15 118.33 114.59 3htr n VAL 83 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 3htr n VAL 83 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 3htr n VAL 83 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3htr s THR 84 N -1.14 3.71 0.24 3.34 -4.23 -1.26 -4.56 115.64 111.74 3htr s THR 84 Ca 0.00 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 3htr s THR 84 Cb 0.00 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.69 3htr s THR 84 CO 0.00 -0.26 1.87 0.58 -0.54 0.00 0.00 174.62 176.27 3htr h VAL 85 N 0.34 1.26 -0.33 2.29 2.07 -2.04 -1.81 116.25 118.03 3htr h VAL 85 Ca -0.45 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3htr h VAL 85 Cb 1.26 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3htr h VAL 85 CO 0.56 0.28 -0.04 0.44 0.02 0.00 0.00 177.57 178.83 3htr h ASP 86 N 1.29 0.49 -0.12 0.57 3.32 -1.99 -1.03 116.42 118.95 3htr h ASP 86 Ca 0.33 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3htr h ASP 86 Cb -0.01 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3htr h ASP 86 CO -0.06 0.59 0.02 1.56 -1.72 0.00 0.00 179.24 179.63 3htr h GLN 87 N 0.49 0.20 -0.68 3.56 4.20 -1.85 -2.74 115.11 118.30 3htr h GLN 87 Ca 0.10 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.86 3htr h GLN 87 Cb 0.38 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3htr h GLN 87 CO 0.02 0.41 0.45 -0.07 -0.67 0.00 0.00 178.83 178.96 3htr h LEU 88 N -0.03 0.44 -1.19 1.46 3.38 -0.97 -1.58 115.31 116.82 3htr h LEU 88 Ca 0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3htr h LEU 88 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3htr h LEU 88 CO 0.00 0.26 -0.40 -0.33 0.09 0.00 0.00 178.44 178.06 3htr h GLU 89 N 0.49 0.00 -0.97 1.13 5.08 -0.91 -2.66 114.58 116.74 3htr h GLU 89 Ca 0.32 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.10 3htr h GLU 89 Cb 0.58 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.53 3htr h GLU 89 CO -0.10 0.40 0.69 0.54 -1.00 0.00 0.00 179.01 179.54 3htr n ARG 90 N -4.00 2.46 -2.10 2.33 1.74 -0.60 -4.99 116.66 111.50 3htr n ARG 90 Ca -0.02 -3.17 -0.41 0.00 -0.77 0.00 0.00 57.85 53.48 3htr n ARG 90 Cb 0.44 -2.21 -0.03 0.00 -1.02 0.00 0.00 32.46 29.64 3htr n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3htr s ALA 91 N -3.54 3.60 -2.00 7.54 0.00 -1.01 -5.03 121.76 121.32 3htr s ALA 91 Ca 0.60 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.82 3htr s ALA 91 Cb 0.49 -3.53 0.22 0.00 0.00 0.00 0.00 23.12 20.29 3htr s ALA 91 CO 0.05 -0.65 0.70 -2.30 0.00 0.00 0.00 175.76 173.55