#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s SER 4 N 0.00 3.87 0.13 6.43 0.15 -1.26 -5.01 113.70 118.01 1s1h s SER 4 Ca 0.00 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.23 1s1h s SER 4 Cb 0.00 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1s1h s SER 4 CO 0.00 0.31 1.62 0.58 1.20 0.00 0.00 173.24 176.95 1s1h h VAL 5 N 4.59 1.24 -0.57 4.45 2.07 -2.03 -0.25 116.25 125.75 1s1h h VAL 5 Ca -0.42 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1s1h h VAL 5 Cb 1.16 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1s1h h VAL 5 CO 0.51 0.29 0.11 0.25 0.02 0.00 0.00 177.57 178.74 1s1h h LEU 6 N 0.53 0.89 -0.88 2.57 5.85 -2.00 -1.62 115.31 120.66 1s1h h LEU 6 Ca 0.13 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1s1h h LEU 6 Cb 0.34 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1s1h h LEU 6 CO 0.00 0.92 0.32 0.00 -0.34 0.00 0.00 178.44 179.35 1s1h h ALA 7 N 1.01 1.11 -0.73 1.25 0.00 -1.92 -1.82 119.26 118.17 1s1h h ALA 7 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1s1h h ALA 7 Cb 0.39 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s1h h ALA 7 CO 0.01 0.64 0.44 0.22 0.00 0.00 0.00 179.25 180.55 1s1h h ASP 8 N 1.11 0.88 -0.44 0.00 3.58 -0.40 -0.52 116.42 120.63 1s1h h ASP 8 Ca 0.26 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1s1h h ASP 8 Cb 0.19 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1s1h h ASP 8 CO -0.02 0.69 0.09 0.00 -2.88 0.00 0.00 179.24 177.12 1s1h h ALA 9 N 1.23 0.58 -0.73 -0.78 0.00 -0.66 0.40 119.26 119.31 1s1h h ALA 9 Ca 0.26 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1s1h h ALA 9 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1s1h h ALA 9 CO -0.05 0.28 0.23 -0.07 0.00 0.00 0.00 179.25 179.65 1s1h h LEU 10 N 0.58 1.05 -0.35 0.00 3.38 -0.81 -1.51 115.31 117.65 1s1h h LEU 10 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1s1h h LEU 10 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1s1h h LEU 10 CO 0.00 0.97 0.05 -1.13 0.09 0.00 0.00 178.44 178.42 1s1h h ASN 11 N 1.08 0.56 -0.61 -0.43 -0.00 -0.83 0.97 115.58 116.32 1s1h h ASN 11 Ca 0.24 -0.27 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 1s1h h ASN 11 Cb 0.29 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1s1h h ASN 11 CO -0.01 0.69 0.36 0.00 -0.00 0.00 0.00 177.43 178.47 1s1h h ALA 12 N 0.89 0.78 -0.47 1.57 0.00 -0.45 0.55 119.26 122.13 1s1h h ALA 12 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1s1h h ALA 12 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1s1h h ALA 12 CO 0.01 0.27 -0.09 0.82 0.00 0.00 0.00 179.25 180.25 1s1h h ILE 13 N 0.83 1.27 -0.45 0.00 2.04 -1.08 0.49 117.51 120.61 1s1h h ILE 13 Ca 0.22 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1s1h h ILE 13 Cb -0.01 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1s1h h ILE 13 CO -0.04 0.42 0.28 -1.13 0.00 0.00 0.00 178.15 177.68 1s1h h ASN 14 N 0.75 0.53 -0.30 1.72 -0.00 0.32 -0.52 115.58 118.08 1s1h h ASN 14 Ca 0.12 -0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.34 1s1h h ASN 14 Cb 0.64 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.82 1s1h h ASN 14 CO 0.04 0.41 0.03 0.78 -0.00 0.00 0.00 177.43 178.69 1s1h h ASN 15 N 0.60 0.49 -0.73 1.15 2.35 0.31 -2.77 115.58 116.97 1s1h h ASN 15 Ca 0.16 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1s1h h ASN 15 Cb -0.03 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1s1h h ASN 15 CO -0.03 0.65 0.27 0.00 -1.65 0.00 0.00 177.43 176.67 1s1h h ALA 16 N 0.86 0.96 -0.58 -0.83 0.00 -0.66 -2.33 119.26 116.67 1s1h h ALA 16 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1s1h h ALA 16 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s1h h ALA 16 CO 0.01 0.60 0.20 1.05 0.00 0.00 0.00 179.25 181.11 1s1h h GLU 17 N 1.07 0.86 -0.78 0.00 4.11 -1.00 0.22 114.58 119.06 1s1h h GLU 17 Ca 0.24 -0.15 0.01 0.00 0.07 0.00 0.00 59.36 59.53 1s1h h GLU 17 Cb 0.24 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1s1h h GLU 17 CO -0.02 0.73 0.52 -0.22 0.07 0.00 0.00 179.01 180.09 1s1h h LYS 18 N 0.84 1.02 0.00 1.06 3.11 -1.13 0.35 116.57 121.83 1s1h h LYS 18 Ca 0.19 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.87 1s1h h LYS 18 Cb 0.22 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1s1h h LYS 18 CO -0.01 0.68 -0.47 1.79 -2.81 0.00 0.00 179.45 178.62 1s1h h THR 19 N 1.06 1.19 -0.07 1.00 1.35 -1.18 -3.47 112.91 112.79 1s1h h THR 19 Ca 0.29 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1s1h h THR 19 Cb -0.12 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1s1h h THR 19 CO -0.06 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1s1h n GLY 20 N 0.08 1.12 3.74 5.82 0.00 0.12 -5.03 105.19 111.06 1s1h n GLY 20 Ca -0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1s1h n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s LYS 21 N -2.58 4.49 0.09 1.61 1.02 -0.77 -4.91 119.74 118.69 1s1h s LYS 21 Ca 0.00 1.91 -0.16 0.00 0.02 0.00 0.00 55.97 57.74 1s1h s LYS 21 Cb 0.00 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1s1h s LYS 21 CO 0.00 -0.07 1.45 0.00 -0.92 0.00 0.00 175.35 175.82 1s1h h ARG 22 N 4.88 0.62 -6.15 1.68 3.08 -1.94 -3.41 114.38 113.13 1s1h h ARG 22 Ca -0.45 -0.28 -0.54 0.00 0.07 0.00 0.00 59.98 58.78 1s1h h ARG 22 Cb 1.21 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 1s1h h ARG 22 CO 0.73 0.86 -0.58 -1.14 -1.07 0.00 0.00 179.97 178.77 1s1h s GLN 23 N -4.57 2.41 -0.28 0.04 0.74 -1.26 -0.56 119.66 116.17 1s1h s GLN 23 Ca -0.13 -1.44 -0.17 0.00 0.05 0.00 0.00 55.36 53.66 1s1h s GLN 23 Cb 0.08 -2.21 0.08 0.00 1.10 0.00 0.00 33.01 32.06 1s1h s GLN 23 CO 0.80 0.24 0.70 0.08 -0.55 0.00 0.00 175.29 176.55 1s1h s VAL 24 N -2.36 0.00 -0.52 1.34 1.01 -0.83 -4.88 120.40 114.17 1s1h s VAL 24 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 1s1h s VAL 24 Cb -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1s1h s VAL 24 CO 0.22 0.00 1.54 -0.76 0.00 0.00 0.00 175.10 176.10 1s1h s LEU 25 N 1.43 3.42 0.17 3.92 1.43 -1.26 0.30 118.68 128.08 1s1h s LEU 25 Ca -0.08 0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 1s1h s LEU 25 Cb -0.05 -3.10 0.04 0.00 0.03 0.00 0.00 46.19 43.11 1s1h s LEU 25 CO -0.17 -1.78 1.83 -0.29 0.23 0.00 0.00 176.35 176.17 1s1h h ILE 26 N 6.53 1.13 0.00 -0.59 2.10 -0.81 -3.47 117.51 122.40 1s1h h ILE 26 Ca -0.28 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1s1h h ILE 26 Cb 1.12 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1s1h h ILE 26 CO 1.15 0.12 0.00 -1.14 -1.08 0.00 0.00 178.15 177.20 1s1h n ARG 27 N -4.75 -2.34 -1.93 2.19 3.00 -1.22 -4.68 116.66 106.93 1s1h n ARG 27 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.49 1s1h n ARG 27 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.51 1s1h n ARG 27 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1s1h s PRO 28 N -2.00 3.40 0.45 -0.14 0.02 -1.26 -0.59 135.00 134.87 1s1h s PRO 28 Ca 0.00 2.11 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 1s1h s PRO 28 Cb 0.00 -2.35 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 1s1h s PRO 28 CO 0.00 -0.95 0.98 -1.54 -0.33 0.00 0.00 177.00 175.16 1s1h s SER 29 N -1.02 6.75 0.06 2.53 1.04 -0.94 -4.70 113.70 117.42 1s1h s SER 29 Ca 0.68 1.73 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 1s1h s SER 29 Cb -0.37 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.22 1s1h s SER 29 CO 0.45 -0.49 0.27 -0.94 0.98 0.00 0.00 173.24 173.51 1s1h s SER 30 N -2.24 -0.06 0.17 7.02 1.04 -1.26 -4.93 113.70 113.44 1s1h s SER 30 Ca 0.63 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 1s1h s SER 30 Cb -0.11 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.43 1s1h s SER 30 CO 0.17 -0.65 1.83 0.50 0.98 0.00 0.00 173.24 176.07 1s1h h LYS 31 N 3.09 0.66 -0.49 4.02 1.63 -2.00 -1.35 116.57 122.13 1s1h h LYS 31 Ca -0.32 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.39 1s1h h LYS 31 Cb 1.20 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1s1h h LYS 31 CO 0.48 0.44 0.14 -0.39 -3.45 0.00 0.00 179.45 176.67 1s1h h VAL 32 N 0.68 1.23 -0.63 2.00 -1.51 -1.99 -2.10 116.25 113.93 1s1h h VAL 32 Ca 0.19 -0.79 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1s1h h VAL 32 Cb -0.06 0.81 -0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1s1h h VAL 32 CO -0.05 0.29 0.30 -0.29 -1.23 0.00 0.00 177.57 176.59 1s1h h ILE 33 N 0.67 1.22 -0.62 7.19 -0.00 -1.83 -0.91 117.51 123.23 1s1h h ILE 33 Ca 0.16 -0.64 -0.05 0.00 -0.00 0.00 0.00 64.86 64.33 1s1h h ILE 33 Cb 0.29 0.47 -0.03 0.00 -0.00 0.00 0.00 36.82 37.55 1s1h h ILE 33 CO -0.00 0.26 0.17 -0.29 -0.00 0.00 0.00 178.15 178.29 1s1h h ILE 34 N 0.88 1.24 -0.92 2.19 2.10 -1.10 -1.46 117.51 120.44 1s1h h ILE 34 Ca 0.22 -0.85 0.04 0.00 1.08 0.00 0.00 64.86 65.34 1s1h h ILE 34 Cb 0.13 0.58 -0.05 0.00 -1.09 0.00 0.00 36.82 36.39 1s1h h ILE 34 CO -0.03 0.32 0.60 0.50 -1.08 0.00 0.00 178.15 178.47 1s1h h LYS 35 N 0.92 1.12 -0.29 2.19 1.63 -0.49 -1.20 116.57 120.44 1s1h h LYS 35 Ca 0.20 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1s1h h LYS 35 Cb 0.30 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1s1h h LYS 35 CO -0.00 0.74 0.08 0.35 -3.45 0.00 0.00 179.45 177.17 1s1h h PHE 36 N 1.15 0.48 -0.20 1.91 3.57 -0.50 -2.80 116.94 120.56 1s1h h PHE 36 Ca 0.37 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1s1h h PHE 36 Cb 0.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1s1h h PHE 36 CO -0.01 0.52 0.08 -0.07 -2.23 0.00 0.00 178.31 176.59 1s1h h LEU 37 N 0.31 0.24 -0.90 0.59 3.38 -0.41 -0.94 115.31 117.58 1s1h h LEU 37 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1s1h h LEU 37 Cb 0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1s1h h LEU 37 CO -0.00 0.23 0.49 -0.61 0.09 0.00 0.00 178.44 178.63 1s1h h GLN 38 N 0.28 1.26 -0.50 1.13 4.15 -0.97 0.04 115.11 120.50 1s1h h GLN 38 Ca 0.07 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 1s1h h GLN 38 Cb 0.06 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1s1h h GLN 38 CO -0.01 0.93 -0.08 -0.24 -1.93 0.00 0.00 178.83 177.50 1s1h h VAL 39 N 1.26 1.26 -0.99 2.39 3.04 -1.22 -1.65 116.25 120.35 1s1h h VAL 39 Ca 0.32 -1.18 0.05 0.00 -1.01 0.00 0.00 66.70 64.87 1s1h h VAL 39 Cb 0.04 0.97 -0.06 0.00 -2.01 0.00 0.00 31.29 30.22 1s1h h VAL 39 CO -0.05 0.41 0.64 -0.03 -1.01 0.00 0.00 177.57 177.54 1s1h h MET 40 N 0.81 1.18 0.12 4.17 1.85 -0.65 0.23 114.93 122.63 1s1h h MET 40 Ca 0.14 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1s1h h MET 40 Cb 0.60 -0.27 0.00 0.00 0.43 0.00 0.00 31.60 32.36 1s1h h MET 40 CO 0.04 0.78 -0.06 0.37 -0.40 0.00 0.00 176.91 177.64 1s1h h GLN 41 N 1.21 -0.16 -0.65 0.39 5.75 -0.65 -0.23 115.11 120.78 1s1h h GLN 41 Ca 0.41 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.88 1s1h h GLN 41 Cb 0.07 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1s1h h GLN 41 CO -0.14 0.09 0.24 -0.22 -2.65 0.00 0.00 178.83 176.15 1s1h h LYS 42 N -0.40 0.99 0.00 1.69 3.64 -0.26 0.22 116.57 122.44 1s1h h LYS 42 Ca -0.02 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1s1h h LYS 42 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1s1h h LYS 42 CO 0.03 0.84 -0.02 0.45 -2.27 0.00 0.00 179.45 178.48 1s1h h HIS 43 N 0.93 0.00 0.00 1.91 3.86 -0.65 -3.45 115.15 117.75 1s1h h HIS 43 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1s1h h HIS 43 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1s1h h HIS 43 CO 0.02 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.23 1s1h n GLY 44 N -0.37 0.82 0.27 2.45 0.00 0.76 -4.96 105.19 104.15 1s1h n GLY 44 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1s1h n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s1h h TYR 45 N 0.00 0.94 -3.77 1.61 0.05 -1.24 -3.45 116.97 111.13 1s1h h TYR 45 Ca 0.00 -0.23 -0.57 0.00 0.05 0.00 0.00 58.73 57.98 1s1h h TYR 45 Cb 0.00 -0.22 -0.21 0.00 1.01 0.00 0.00 36.73 37.31 1s1h h TYR 45 CO 0.00 0.99 -0.82 0.96 -1.05 0.00 0.00 178.16 178.23 1s1h s ILE 46 N -4.57 1.83 0.26 -2.88 -4.36 -1.09 -4.71 121.20 105.67 1s1h s ILE 46 Ca -0.10 -1.67 -0.05 0.00 -0.26 0.00 0.00 60.65 58.57 1s1h s ILE 46 Cb 0.13 -1.69 0.26 0.00 1.25 0.00 0.00 42.46 42.40 1s1h s ILE 46 CO 0.85 -0.10 1.93 1.23 0.24 0.00 0.00 174.94 179.09 1s1h h GLY 47 N 3.85 1.36 0.00 6.27 0.00 -1.58 -3.40 103.07 109.57 1s1h h GLY 47 Ca -0.46 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1s1h h GLY 47 CO 0.42 0.50 0.00 -2.21 0.00 0.00 0.00 176.54 175.26 1s1h n GLU 48 N -4.38 -3.73 -4.20 4.80 2.13 -1.25 -4.99 120.64 109.03 1s1h n GLU 48 Ca 0.11 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.82 1s1h n GLU 48 Cb 0.02 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.63 1s1h n GLU 48 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1s1h s PHE 49 N -2.05 1.05 0.02 4.31 -0.12 -1.26 0.31 117.98 120.24 1s1h s PHE 49 Ca 0.00 -1.18 -0.14 0.00 -0.05 0.00 0.00 56.93 55.56 1s1h s PHE 49 Cb 0.00 -0.59 0.02 0.00 -0.63 0.00 0.00 43.02 41.82 1s1h s PHE 49 CO 0.00 -0.42 0.29 -1.83 -0.05 0.00 0.00 175.22 173.21 1s1h s GLU 50 N -4.02 0.74 0.23 1.99 -1.05 -0.14 -4.95 118.70 111.51 1s1h s GLU 50 Ca 0.27 -0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 1s1h s GLU 50 Cb 0.07 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1s1h s GLU 50 CO 0.04 -0.22 1.08 0.71 0.95 0.00 0.00 175.26 177.82 1s1h s TYR 51 N -2.07 3.65 0.04 4.83 1.51 -1.26 -0.09 117.35 123.96 1s1h s TYR 51 Ca -0.08 1.69 -0.01 0.00 -1.01 0.00 0.00 57.07 57.66 1s1h s TYR 51 Cb -0.03 -3.23 -0.03 0.00 -0.11 0.00 0.00 41.96 38.56 1s1h s TYR 51 CO -0.00 -0.42 -0.02 0.96 -1.11 0.00 0.00 175.55 174.96 1s1h s ILE 52 N -0.79 0.17 -0.31 2.71 -4.36 0.25 -4.83 121.20 114.03 1s1h s ILE 52 Ca 0.46 -1.38 -0.07 0.00 -0.26 0.00 0.00 60.65 59.39 1s1h s ILE 52 Cb -0.30 -0.97 0.01 0.00 1.25 0.00 0.00 42.46 42.46 1s1h s ILE 52 CO 0.37 -0.76 0.09 -1.81 0.24 0.00 0.00 174.94 173.07 1s1h s ASP 53 N -2.27 5.21 -0.22 4.36 1.01 -1.26 -0.28 116.67 123.21 1s1h s ASP 53 Ca -0.03 -0.77 0.01 0.00 0.71 0.00 0.00 52.55 52.46 1s1h s ASP 53 Cb 0.00 -1.89 0.04 0.00 1.01 0.00 0.00 42.92 42.07 1s1h s ASP 53 CO -0.06 -0.22 -0.13 -1.81 0.21 0.00 0.00 175.17 173.16 1s1h s ASP 54 N 1.49 3.88 -1.43 0.27 1.01 0.14 -4.64 116.67 117.39 1s1h s ASP 54 Ca 0.02 -0.96 -0.11 0.00 0.71 0.00 0.00 52.55 52.21 1s1h s ASP 54 Cb -0.18 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.25 1s1h s ASP 54 CO 0.03 -0.10 1.08 1.41 0.21 0.00 0.00 175.17 177.80 1s1h n HIS 55 N 4.57 -2.58 -1.11 4.23 8.25 -1.26 -0.15 115.22 127.17 1s1h n HIS 55 Ca -0.17 0.96 -0.04 0.00 -0.26 0.00 0.00 57.72 58.21 1s1h n HIS 55 Cb 0.47 -4.56 -0.02 0.00 1.12 0.00 0.00 29.99 27.00 1s1h n HIS 55 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s1h n ARG 56 N -4.82 -1.02 -4.90 -0.41 1.74 -1.26 -4.98 116.66 101.00 1s1h n ARG 56 Ca 0.00 0.48 -0.33 0.00 -0.77 0.00 0.00 57.85 57.23 1s1h n ARG 56 Cb 0.55 -4.36 -0.13 0.00 -1.02 0.00 0.00 32.46 27.50 1s1h n ARG 56 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1s1h s SER 57 N -2.27 3.96 0.25 0.55 0.15 0.79 -5.09 113.70 112.04 1s1h s SER 57 Ca 0.00 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.13 1s1h s SER 57 Cb 0.00 -0.81 -0.09 0.00 -1.71 0.00 0.00 66.02 63.41 1s1h s SER 57 CO 0.00 0.34 1.12 -0.83 1.20 0.00 0.00 173.24 175.07 1s1h s GLY 58 N -0.76 2.96 0.15 9.45 0.00 -1.26 0.24 107.32 118.10 1s1h s GLY 58 Ca 0.12 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.71 1s1h s GLY 58 CO 0.01 1.60 0.12 0.54 0.00 0.00 0.00 173.10 175.37 1s1h s LYS 59 N -1.08 1.02 -0.21 2.90 1.02 0.62 -2.20 119.74 121.81 1s1h s LYS 59 Ca 0.47 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.04 1s1h s LYS 59 Cb -0.32 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1s1h s LYS 59 CO 0.40 -0.32 -0.13 0.42 -0.92 0.00 0.00 175.35 174.80 1s1h s ILE 60 N -4.05 2.55 0.11 2.17 1.01 0.24 -0.59 121.20 122.64 1s1h s ILE 60 Ca 0.25 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.72 1s1h s ILE 60 Cb 0.06 -2.18 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 1s1h s ILE 60 CO 0.03 0.39 0.82 -0.69 0.00 0.00 0.00 174.94 175.50 1s1h s VAL 61 N 1.33 4.52 -0.14 2.92 1.01 0.88 -0.08 120.40 130.83 1s1h s VAL 61 Ca 0.03 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.80 1s1h s VAL 61 Cb -0.15 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1s1h s VAL 61 CO -0.08 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.58 1s1h s VAL 62 N -0.47 2.58 -0.21 2.92 1.01 0.15 -0.97 120.40 125.40 1s1h s VAL 62 Ca 0.40 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1s1h s VAL 62 Cb -0.22 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1s1h s VAL 62 CO 0.26 0.52 0.92 -1.10 0.00 0.00 0.00 175.10 175.70 1s1h s GLN 63 N 0.72 4.25 0.15 2.72 -1.52 0.15 -1.97 119.66 124.17 1s1h s GLN 63 Ca -0.07 1.14 -0.10 0.00 -1.95 0.00 0.00 55.36 54.37 1s1h s GLN 63 Cb -0.16 -3.62 -0.01 0.00 -0.22 0.00 0.00 33.01 29.00 1s1h s GLN 63 CO 0.01 -0.50 1.52 -0.07 -0.25 0.00 0.00 175.29 176.00 1s1h h LEU 64 N 8.98 1.03 -2.09 2.90 4.07 -1.07 -1.89 115.31 127.23 1s1h h LEU 64 Ca -0.24 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1s1h h LEU 64 Cb 1.09 -0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1s1h h LEU 64 CO 0.90 1.23 -1.03 -3.20 -1.08 0.00 0.00 178.44 175.26 1s1h n ASN 65 N -4.09 -4.21 -4.47 -0.43 4.05 -1.26 -4.55 115.26 100.30 1s1h n ASN 65 Ca -0.01 1.43 -0.26 0.00 0.45 0.00 0.00 54.58 56.19 1s1h n ASN 65 Cb 0.50 -4.37 -0.10 0.00 1.23 0.00 0.00 39.78 37.04 1s1h n ASN 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1s1h s GLY 66 N -0.48 2.46 0.27 8.20 0.00 -1.26 -4.33 107.32 112.17 1s1h s GLY 66 Ca -0.13 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 42.99 1s1h s GLY 66 CO 0.36 -1.95 0.00 0.50 0.00 0.00 0.00 173.10 172.01 1s1h s ARG 67 N -3.81 1.49 0.13 2.90 1.81 -1.26 -4.94 118.95 115.26 1s1h s ARG 67 Ca 0.28 -1.78 -0.13 0.00 -1.72 0.00 0.00 55.73 52.39 1s1h s ARG 67 Cb 0.06 -0.83 -0.05 0.00 -0.45 0.00 0.00 34.95 33.69 1s1h s ARG 67 CO 0.14 -0.09 1.48 1.25 -0.68 0.00 0.00 175.30 177.39 1s1h h LEU 68 N 2.31 0.88 0.59 2.53 5.85 -2.02 -3.39 115.31 122.07 1s1h h LEU 68 Ca -0.39 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 57.86 1s1h h LEU 68 Cb 1.23 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1s1h h LEU 68 CO 0.67 1.13 -0.38 -1.13 -0.34 0.00 0.00 178.44 178.39 1s1h h ASN 69 N 0.64 -0.96 0.00 1.25 -1.24 -2.02 -3.48 115.58 109.77 1s1h h ASN 69 Ca 0.07 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1s1h h ASN 69 Cb 0.84 0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1s1h h ASN 69 CO 0.07 -0.58 0.00 2.29 -1.29 0.00 0.00 177.43 177.92 1s1h n LYS 70 N -5.51 0.00 -1.34 6.67 2.85 -1.26 -5.13 118.16 114.44 1s1h n LYS 70 Ca -0.13 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.78 1s1h n LYS 70 Cb 0.40 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.87 1s1h n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s1h n GLY 72 N 1.02 -4.38 0.29 0.00 0.00 -1.26 -4.82 105.19 96.04 1s1h n GLY 72 Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.41 1s1h n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s1h h VAL 73 N -0.96 1.17 -3.47 1.61 2.07 -1.89 -2.80 116.25 111.98 1s1h h VAL 73 Ca -0.44 -0.53 -0.78 0.00 0.82 0.00 0.00 66.70 65.77 1s1h h VAL 73 Cb 1.31 0.69 -0.29 0.00 -1.52 0.00 0.00 31.29 31.47 1s1h h VAL 73 CO 0.25 0.20 0.37 0.00 0.02 0.00 0.00 177.57 178.42 1s1h n ILE 74 N -4.36 4.33 -0.05 4.57 3.06 -1.26 -4.83 119.36 120.82 1s1h n ILE 74 Ca 0.03 -5.37 -0.13 0.00 -2.50 0.00 0.00 62.75 54.78 1s1h n ILE 74 Cb 0.16 -2.52 -0.07 0.00 0.54 0.00 0.00 39.64 37.75 1s1h n ILE 74 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1s1h h SER 75 N 6.44 0.31 -2.05 9.51 0.87 -1.45 -3.44 113.55 123.74 1s1h h SER 75 Ca 0.18 -0.44 -0.45 0.00 -1.23 0.00 0.00 61.79 59.84 1s1h h SER 75 Cb 0.84 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1s1h h SER 75 CO 1.01 0.69 -0.38 -2.16 -0.53 0.00 0.00 176.83 175.45 1s1h s PRO 76 N -4.44 3.30 0.00 2.24 0.04 -1.23 -4.98 135.00 129.93 1s1h s PRO 76 Ca -0.14 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.04 1s1h s PRO 76 Cb 0.05 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1s1h s PRO 76 CO 0.74 0.26 0.00 -2.13 0.04 0.00 0.00 177.00 175.90 1s1h n ARG 77 N -1.52 0.00 -4.41 4.56 0.63 -1.26 -3.76 116.66 110.90 1s1h n ARG 77 Ca -0.05 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.69 1s1h n ARG 77 Cb 0.57 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.34 1s1h n ARG 77 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1s1h s PHE 78 N 0.00 0.89 0.50 -0.14 5.36 -0.89 -4.94 117.98 118.75 1s1h s PHE 78 Ca 0.00 -0.17 -0.20 0.00 -0.96 0.00 0.00 56.93 55.60 1s1h s PHE 78 Cb 0.00 -0.58 -0.08 0.00 -0.34 0.00 0.00 43.02 42.02 1s1h s PHE 78 CO 0.00 -0.03 1.04 -0.80 -1.46 0.00 0.00 175.22 173.98 1s1h s ASN 79 N -0.18 6.28 0.00 6.13 -0.87 -1.26 -2.27 114.94 122.77 1s1h s ASN 79 Ca 0.03 1.92 0.00 0.00 -1.57 0.00 0.00 52.86 53.24 1s1h s ASN 79 Cb -0.04 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 1s1h s ASN 79 CO -0.00 -0.83 0.00 0.52 -2.57 0.00 0.00 177.10 174.22 1s1h n VAL 80 N -1.07 0.00 -1.78 1.60 0.31 -1.11 -4.92 118.33 111.36 1s1h n VAL 80 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1s1h n VAL 80 Cb 0.52 -0.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 1s1h n VAL 80 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1s1h s LYS 81 N -0.17 4.12 0.22 5.55 2.20 -0.80 -4.86 119.74 126.00 1s1h s LYS 81 Ca 0.00 2.57 0.02 0.00 -0.36 0.00 0.00 55.97 58.20 1s1h s LYS 81 Cb 0.00 -3.03 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1s1h s LYS 81 CO 0.00 -0.64 0.04 0.96 -0.36 0.00 0.00 175.35 175.35 1s1h s ILE 82 N 0.10 0.72 0.19 5.43 -0.00 -0.44 -4.89 121.20 122.30 1s1h s ILE 82 Ca 0.64 -2.00 -0.12 0.00 -0.00 0.00 0.00 60.65 59.18 1s1h s ILE 82 Cb -0.48 -2.36 0.11 0.00 -0.00 0.00 0.00 42.46 39.73 1s1h s ILE 82 CO 0.46 -0.27 1.85 1.23 -0.00 0.00 0.00 174.94 178.22 1s1h h GLY 83 N 2.53 0.90 0.89 6.27 0.00 -1.96 -2.25 103.07 109.45 1s1h h GLY 83 Ca -0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1s1h h GLY 83 CO 0.62 0.29 0.04 1.29 0.00 0.00 0.00 176.54 178.79 1s1h h ASP 84 N 0.82 0.12 -3.17 0.19 2.03 -1.99 -3.39 116.42 111.03 1s1h h ASP 84 Ca 0.24 -0.13 -0.58 0.00 -0.73 0.00 0.00 57.03 55.84 1s1h h ASP 84 Cb -0.04 -0.03 -0.36 0.00 -0.83 0.00 0.00 39.33 38.07 1s1h h ASP 84 CO -0.08 0.22 -0.82 -0.51 -1.03 0.00 0.00 179.24 177.02 1s1h s ILE 85 N -5.68 1.40 0.47 4.15 2.07 -0.86 -5.11 121.20 117.64 1s1h s ILE 85 Ca -0.14 -0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 58.37 1s1h s ILE 85 Cb 0.06 -1.33 -0.10 0.00 0.13 0.00 0.00 42.46 41.23 1s1h s ILE 85 CO 0.68 0.43 0.98 -1.61 -1.91 0.00 0.00 174.94 173.51 1s1h s GLU 86 N 1.42 4.05 -0.17 3.50 8.01 -1.14 -1.33 118.70 133.04 1s1h s GLU 86 Ca 0.02 1.13 0.00 0.00 0.01 0.00 0.00 54.97 56.14 1s1h s GLU 86 Cb -0.13 -2.15 0.03 0.00 -4.31 0.00 0.00 34.13 27.57 1s1h s GLU 86 CO -0.08 -0.19 -0.10 0.15 0.01 0.00 0.00 175.26 175.05 1s1h s LYS 87 N -3.42 1.95 0.02 1.61 -0.14 -1.26 -4.87 119.74 113.62 1s1h s LYS 87 Ca 0.62 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.66 1s1h s LYS 87 Cb -0.11 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 1s1h s LYS 87 CO 0.19 -0.35 -0.18 -1.58 -0.76 0.00 0.00 175.35 172.67 1s1h s TRP 88 N 1.50 2.57 0.02 3.18 0.52 -1.26 -0.49 118.94 124.98 1s1h s TRP 88 Ca 0.02 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.90 1s1h s TRP 88 Cb -0.15 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1s1h s TRP 88 CO -0.09 0.22 -0.05 -0.08 0.02 0.00 0.00 176.95 176.97 1s1h s THR 89 N -0.86 0.38 0.86 2.01 -1.32 -1.09 -4.92 115.64 110.69 1s1h s THR 89 Ca 0.14 -0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 59.87 1s1h s THR 89 Cb -0.10 -0.40 0.11 0.00 -1.51 0.00 0.00 72.50 70.60 1s1h s THR 89 CO 0.04 -0.17 1.12 0.00 -2.21 0.00 0.00 174.62 173.40 1s1h s ALA 90 N -0.78 1.98 0.49 11.08 0.00 -1.26 -1.84 121.76 131.43 1s1h s ALA 90 Ca -0.05 -0.41 0.22 0.00 0.00 0.00 0.00 51.96 51.71 1s1h s ALA 90 Cb -0.06 -3.06 1.37 0.00 0.00 0.00 0.00 23.12 21.38 1s1h s ALA 90 CO -0.00 -2.06 2.11 -0.97 0.00 0.00 0.00 175.76 174.84 1s1h h ASN 91 N -1.33 0.00 -0.62 0.00 -1.24 -1.92 -1.72 115.58 108.76 1s1h h ASN 91 Ca -0.49 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.49 1s1h h ASN 91 Cb 1.31 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.33 1s1h h ASN 91 CO 0.61 0.09 0.29 -0.07 -1.29 0.00 0.00 177.43 177.06 1s1h h LEU 92 N 0.00 0.82 -4.81 0.34 4.07 -1.91 -3.22 115.31 110.59 1s1h h LEU 92 Ca -0.00 -0.14 -0.64 0.00 0.08 0.00 0.00 57.88 57.18 1s1h h LEU 92 Cb 0.19 -0.21 -0.38 0.00 1.08 0.00 0.00 40.66 41.34 1s1h h LEU 92 CO 0.01 0.73 -0.27 0.18 -1.08 0.00 0.00 178.44 178.01 1s1h n LEU 93 N -4.50 5.37 -0.33 1.67 4.32 -0.65 -4.74 117.00 118.15 1s1h n LEU 93 Ca 0.04 -5.22 0.05 0.00 -0.02 0.00 0.00 56.01 50.86 1s1h n LEU 93 Cb 0.13 -0.63 0.24 0.00 -1.62 0.00 0.00 43.42 41.54 1s1h n LEU 93 CO 0.38 2.15 1.25 1.55 -1.22 0.00 0.00 177.39 181.50 1s1h h PRO 94 N 2.80 1.00 0.00 3.23 0.13 -1.56 -3.43 132.00 134.17 1s1h h PRO 94 Ca 0.34 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1s1h h PRO 94 Cb 0.65 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1s1h h PRO 94 CO 0.98 0.66 0.00 0.00 -0.23 0.00 0.00 178.00 179.41 1s1h n ALA 95 N -2.38 -0.08 -2.92 -0.56 0.00 -1.26 -5.04 120.51 108.27 1s1h n ALA 95 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1s1h n ALA 95 Cb 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 1s1h n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s1h s ARG 96 N -3.90 0.30 0.09 0.00 0.52 -1.26 -4.99 118.95 109.71 1s1h s ARG 96 Ca 0.00 -0.50 -0.27 0.00 -0.52 0.00 0.00 55.73 54.45 1s1h s ARG 96 Cb 0.00 -0.03 0.08 0.00 0.52 0.00 0.00 34.95 35.52 1s1h s ARG 96 CO 0.00 -0.01 1.03 -0.65 0.02 0.00 0.00 175.30 175.69 1s1h s GLN 97 N -1.12 0.97 -0.88 3.54 -0.21 -1.26 -5.06 119.66 115.65 1s1h s GLN 97 Ca -0.11 -0.52 -0.21 0.00 0.02 0.00 0.00 55.36 54.55 1s1h s GLN 97 Cb -0.08 0.34 0.10 0.00 1.00 0.00 0.00 33.01 34.38 1s1h s GLN 97 CO -0.00 -0.44 1.16 -0.59 -2.12 0.00 0.00 175.29 173.29 1s1h s PHE 98 N -3.07 2.89 -5.00 0.91 -0.71 -1.26 -4.69 117.98 107.05 1s1h s PHE 98 Ca 0.12 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 54.95 1s1h s PHE 98 Cb -0.00 -4.37 0.00 0.00 -1.21 0.00 0.00 43.02 37.44 1s1h s PHE 98 CO -0.00 -1.63 0.00 0.41 -1.34 0.00 0.00 175.22 172.66 1s1h n GLY 99 N 5.72 -0.93 3.35 1.99 0.00 -1.26 -4.80 105.19 109.24 1s1h n GLY 99 Ca 0.19 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1s1h n GLY 99 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s1h s TYR 100 N -2.21 1.62 -0.03 1.61 -0.85 0.20 -4.96 117.35 112.73 1s1h s TYR 100 Ca 0.00 -1.02 0.06 0.00 -0.52 0.00 0.00 57.07 55.58 1s1h s TYR 100 Cb 0.00 -0.97 -0.01 0.00 0.38 0.00 0.00 41.96 41.36 1s1h s TYR 100 CO 0.00 -0.14 -0.20 0.54 -1.52 0.00 0.00 175.55 174.23 1s1h s VAL 101 N -3.52 1.63 -0.21 -3.49 0.11 -1.26 0.19 120.40 113.85 1s1h s VAL 101 Ca 0.33 -0.85 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1s1h s VAL 101 Cb 0.07 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1s1h s VAL 101 CO 0.12 0.46 0.05 -0.51 -3.33 0.00 0.00 175.10 171.89 1s1h s ILE 102 N -0.23 4.47 0.27 7.04 2.07 -0.23 -1.47 121.20 133.11 1s1h s ILE 102 Ca 0.02 -0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.22 1s1h s ILE 102 Cb -0.10 -3.04 -0.05 0.00 0.13 0.00 0.00 42.46 39.41 1s1h s ILE 102 CO 0.01 0.41 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.62 1s1h s LEU 103 N 0.88 2.98 -0.17 8.50 1.43 -0.25 -1.57 118.68 130.49 1s1h s LEU 103 Ca 0.03 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1s1h s LEU 103 Cb -0.14 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1s1h s LEU 103 CO 0.02 0.01 -0.15 -0.89 0.23 0.00 0.00 176.35 175.57 1s1h s THR 104 N -2.39 2.60 0.36 5.49 2.01 -0.49 -1.72 115.64 121.50 1s1h s THR 104 Ca 0.31 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1s1h s THR 104 Cb -0.06 -2.11 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 1s1h s THR 104 CO 0.18 0.51 0.02 0.42 -0.69 0.00 0.00 174.62 175.06 1s1h s THR 105 N 0.97 1.64 0.51 -0.82 -4.23 0.98 -2.71 115.64 111.97 1s1h s THR 105 Ca -0.02 -2.02 0.24 0.00 -1.18 0.00 0.00 61.69 58.71 1s1h s THR 105 Cb -0.15 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 71.14 1s1h s THR 105 CO -0.03 -0.04 2.14 -1.28 -0.54 0.00 0.00 174.62 174.88 1s1h h SER 106 N 1.97 0.00 0.03 3.99 0.87 -2.00 0.43 113.55 118.84 1s1h h SER 106 Ca -0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1s1h h SER 106 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1s1h h SER 106 CO 0.74 0.07 -0.13 0.00 -0.53 0.00 0.00 176.83 176.98 1s1h h ALA 107 N 1.93 1.50 0.00 6.23 0.00 -1.93 -3.48 119.26 123.50 1s1h h ALA 107 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s1h h ALA 107 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s1h h ALA 107 CO 0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1s1h n GLY 108 N -0.86 0.92 3.68 0.00 0.00 0.15 -5.02 105.19 104.07 1s1h n GLY 108 Ca -0.01 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1s1h n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s1h s ILE 109 N -2.02 5.26 0.24 -0.61 -4.36 -1.26 -0.01 121.20 118.44 1s1h s ILE 109 Ca 0.00 0.56 0.02 0.00 -0.26 0.00 0.00 60.65 60.97 1s1h s ILE 109 Cb 0.00 -3.66 -0.05 0.00 1.25 0.00 0.00 42.46 40.00 1s1h s ILE 109 CO 0.00 0.31 0.05 -0.04 0.24 0.00 0.00 174.94 175.50 1s1h s MET 110 N 1.03 1.35 0.75 0.37 -1.94 -0.70 -4.97 119.30 115.18 1s1h s MET 110 Ca 0.16 -1.71 -0.08 0.00 -1.71 0.00 0.00 55.69 52.35 1s1h s MET 110 Cb -0.14 -0.37 0.08 0.00 2.01 0.00 0.00 34.83 36.41 1s1h s MET 110 CO 0.06 -0.21 1.07 0.34 -0.01 0.00 0.00 175.02 176.27 1s1h s ASP 111 N -3.29 4.56 0.19 3.03 2.15 -1.26 -1.09 116.67 120.96 1s1h s ASP 111 Ca 0.33 0.45 -0.12 0.00 0.43 0.00 0.00 52.55 53.64 1s1h s ASP 111 Cb 0.07 -1.00 0.11 0.00 -0.30 0.00 0.00 42.92 41.80 1s1h s ASP 111 CO 0.11 -1.78 1.85 1.12 -0.17 0.00 0.00 175.17 176.30 1s1h h HIS 112 N -0.78 0.81 -0.54 -5.34 2.07 -1.64 0.44 115.15 110.17 1s1h h HIS 112 Ca -0.44 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.08 1s1h h HIS 112 Cb 1.31 -0.27 -0.03 0.00 2.57 0.00 0.00 27.41 30.99 1s1h h HIS 112 CO 0.15 0.53 0.29 1.49 -3.07 0.00 0.00 177.93 177.33 1s1h h GLU 113 N 0.87 0.75 -0.66 5.12 4.81 -1.93 -1.26 114.58 122.27 1s1h h GLU 113 Ca 0.23 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1s1h h GLU 113 Cb -0.08 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1s1h h GLU 113 CO -0.05 0.58 0.28 0.93 -0.73 0.00 0.00 179.01 180.03 1s1h h GLU 114 N 0.72 0.98 -0.85 1.92 5.08 -1.69 -1.89 114.58 118.85 1s1h h GLU 114 Ca 0.19 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1s1h h GLU 114 Cb 0.05 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1s1h h GLU 114 CO -0.03 0.80 0.45 0.00 -1.00 0.00 0.00 179.01 179.23 1s1h h ALA 115 N 1.13 1.10 -0.65 3.43 0.00 -0.54 -1.23 119.26 122.50 1s1h h ALA 115 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s1h h ALA 115 Cb 0.18 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1s1h h ALA 115 CO -0.02 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.27 1s1h h ARG 116 N 1.20 0.81 -0.07 0.00 3.08 -0.48 0.61 114.38 119.53 1s1h h ARG 116 Ca 0.30 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1s1h h ARG 116 Cb 0.06 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1s1h h ARG 116 CO -0.04 0.54 0.03 -0.09 -1.07 0.00 0.00 179.97 179.34 1s1h h ARG 117 N 0.83 0.07 0.00 0.04 1.12 -0.60 1.00 114.38 116.85 1s1h h ARG 117 Ca 0.25 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1s1h h ARG 117 Cb -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1s1h h ARG 117 CO -0.08 0.05 0.00 -0.22 -3.11 0.00 0.00 179.97 176.61 1s1h h LYS 118 N 0.08 0.00 -4.74 0.20 1.63 -0.63 -3.46 116.57 109.65 1s1h h LYS 118 Ca 0.03 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.54 1s1h h LYS 118 Cb -0.00 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 31.74 1s1h h LYS 118 CO -0.01 0.00 -0.54 0.72 -3.45 0.00 0.00 179.45 176.16 1s1h n HIS 119 N -2.73 -2.05 -4.44 1.91 8.25 0.20 -5.01 115.22 111.35 1s1h n HIS 119 Ca 0.00 0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 58.01 1s1h n HIS 119 Cb 0.20 -4.19 -0.11 0.00 1.12 0.00 0.00 29.99 27.02 1s1h n HIS 119 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1s1h s VAL 120 N -3.25 1.34 0.46 1.59 -7.23 -0.44 -4.92 120.40 107.95 1s1h s VAL 120 Ca 0.31 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1s1h s VAL 120 Cb -0.14 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1s1h s VAL 120 CO 0.56 -0.10 0.06 -0.44 -0.31 0.00 0.00 175.10 174.87 1s1h s SER 121 N -3.47 3.51 0.00 4.85 0.01 -1.26 -4.30 113.70 113.03 1s1h s SER 121 Ca 0.34 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1s1h s SER 121 Cb 0.07 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1s1h s SER 121 CO 0.14 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1s1h n GLY 122 N -1.10 1.23 3.77 3.44 0.00 -0.77 -4.48 105.19 107.28 1s1h n GLY 122 Ca -0.13 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1s1h n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s LYS 123 N -2.00 3.64 -0.64 1.61 1.02 -1.10 -2.69 119.74 119.59 1s1h s LYS 123 Ca 0.00 2.43 -0.17 0.00 0.02 0.00 0.00 55.97 58.25 1s1h s LYS 123 Cb 0.00 -2.63 0.14 0.00 -0.52 0.00 0.00 37.83 34.82 1s1h s LYS 123 CO 0.00 -0.86 0.66 0.96 -0.92 0.00 0.00 175.35 175.20 1s1h s ILE 124 N -1.20 5.11 0.08 2.17 -4.36 0.35 -1.40 121.20 121.95 1s1h s ILE 124 Ca 0.62 -1.49 -0.22 0.00 -0.26 0.00 0.00 60.65 59.29 1s1h s ILE 124 Cb -0.44 -4.45 -0.14 0.00 1.25 0.00 0.00 42.46 38.69 1s1h s ILE 124 CO 0.56 -1.04 1.67 -0.07 0.24 0.00 0.00 174.94 176.31 1s1h h LEU 125 N 9.19 0.07 -7.95 0.37 4.07 -1.60 -2.12 115.31 117.34 1s1h h LEU 125 Ca -0.20 -0.09 0.22 0.00 0.08 0.00 0.00 57.88 57.90 1s1h h LEU 125 Cb 1.08 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 1s1h h LEU 125 CO 1.02 0.14 0.68 -0.83 -1.08 0.00 0.00 178.44 178.37 1s1h s GLY 126 N -2.42 0.04 0.00 0.83 0.00 -1.02 -2.74 107.32 102.02 1s1h s GLY 126 Ca -0.13 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.38 1s1h s GLY 126 CO 0.67 3.43 -0.07 -0.12 0.00 0.00 0.00 173.10 177.01 1s1h s PHE 127 N -2.11 0.63 0.02 1.90 2.19 -0.96 -1.07 117.98 118.58 1s1h s PHE 127 Ca 0.24 -0.17 -0.03 0.00 0.33 0.00 0.00 56.93 57.31 1s1h s PHE 127 Cb -0.02 -0.40 -0.01 0.00 -1.31 0.00 0.00 43.02 41.28 1s1h s PHE 127 CO 0.03 -0.02 0.03 0.54 1.83 0.00 0.00 175.22 177.64 1s1h s VAL 128 N -0.32 0.11 0.00 3.12 0.11 0.13 -2.09 120.40 121.46 1s1h s VAL 128 Ca 0.01 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1s1h s VAL 128 Cb -0.04 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1s1h s VAL 128 CO -0.00 -0.49 0.00 0.00 -3.33 0.00 0.00 175.10 171.27