#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s61 h LEU 3 N 0.00 1.07 -0.37 0.99 5.85 -2.02 -1.07 115.31 119.76 1s61 h LEU 3 Ca 0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1s61 h LEU 3 Cb 0.00 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1s61 h LEU 3 CO 0.00 0.81 0.23 0.25 -0.34 0.00 0.00 178.44 179.40 1s61 h LEU 4 N 1.24 0.39 -0.72 2.25 5.85 -2.05 -0.75 115.31 121.52 1s61 h LEU 4 Ca 0.32 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1s61 h LEU 4 Cb -0.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1s61 h LEU 4 CO -0.06 0.28 0.38 0.28 -0.34 0.00 0.00 178.44 178.98 1s61 h SER 5 N 0.48 0.92 -0.22 1.25 0.02 -1.89 0.18 113.55 114.29 1s61 h SER 5 Ca 0.14 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1s61 h SER 5 Cb -0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1s61 h SER 5 CO -0.05 0.77 -0.23 0.03 -1.14 0.00 0.00 176.83 176.21 1s61 h ARG 6 N 1.00 0.68 0.06 3.45 3.08 -0.99 -2.23 114.38 119.42 1s61 h ARG 6 Ca 0.25 -0.26 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1s61 h ARG 6 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1s61 h ARG 6 CO -0.04 0.84 -1.07 -0.07 -1.07 0.00 0.00 179.97 178.56 1s61 h LEU 7 N 0.59 0.41 -1.67 3.04 3.38 -0.89 0.70 115.31 120.87 1s61 h LEU 7 Ca 0.09 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1s61 h LEU 7 Cb 0.70 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1s61 h LEU 7 CO 0.05 1.24 0.25 0.03 0.09 0.00 0.00 178.44 180.10 1s61 h ARG 8 N 0.12 0.42 -0.07 1.13 3.08 -0.85 -0.41 114.38 117.81 1s61 h ARG 8 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1s61 h ARG 8 Cb 1.76 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.71 1s61 h ARG 8 CO 0.18 0.28 0.00 1.63 -1.07 0.00 0.00 179.97 180.99 1s61 n LYS 9 N -4.48 1.70 -3.61 0.04 5.02 -0.85 -4.91 118.16 111.07 1s61 n LYS 9 Ca 0.03 -1.03 -0.25 0.00 -2.02 0.00 0.00 58.31 55.05 1s61 n LYS 9 Cb 0.12 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1s61 n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s61 n ARG 10 N 0.24 -7.51 -2.26 1.97 3.00 -0.16 -4.96 116.66 106.98 1s61 n ARG 10 Ca 0.18 0.80 -0.37 0.00 -0.01 0.00 0.00 57.85 58.46 1s61 n ARG 10 Cb 0.35 -5.83 -0.01 0.00 0.00 0.00 0.00 32.46 26.97 1s61 n ARG 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s61 s GLU 11 N -6.32 3.70 0.45 5.56 2.02 0.18 -4.94 118.70 119.35 1s61 s GLU 11 Ca 0.58 1.75 -0.25 0.00 0.02 0.00 0.00 54.97 57.07 1s61 s GLU 11 Cb -0.26 -2.35 -0.08 0.00 0.10 0.00 0.00 34.13 31.53 1s61 s GLU 11 CO 0.72 -0.59 1.44 -2.14 0.02 0.00 0.00 175.26 174.71 1s61 s PRO 12 N -2.78 3.69 -0.01 0.39 0.02 -1.26 -4.75 135.00 130.30 1s61 s PRO 12 Ca 0.65 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.82 1s61 s PRO 12 Cb -0.28 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 1s61 s PRO 12 CO 0.33 -0.82 1.20 0.42 -0.33 0.00 0.00 177.00 177.80 1s61 s ILE 13 N -1.19 4.18 0.40 2.83 1.09 -1.26 -5.02 121.20 122.23 1s61 s ILE 13 Ca 0.61 1.53 0.08 0.00 -1.10 0.00 0.00 60.65 61.76 1s61 s ILE 13 Cb -0.44 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 36.95 1s61 s ILE 13 CO 0.57 0.04 0.35 -0.94 -0.10 0.00 0.00 174.94 174.86 1s61 s SER 14 N 1.35 5.04 0.32 3.58 1.04 -1.26 -4.99 113.70 118.77 1s61 s SER 14 Ca 0.57 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1s61 s SER 14 Cb -0.26 -0.64 0.53 0.00 0.10 0.00 0.00 66.02 65.75 1s61 s SER 14 CO 0.25 -0.59 1.83 0.40 0.98 0.00 0.00 173.24 176.12 1s61 h ILE 15 N 1.10 1.22 -0.59 -1.02 2.04 -1.87 -0.98 117.51 117.41 1s61 h ILE 15 Ca -0.42 -0.90 0.11 0.00 1.00 0.00 0.00 64.86 64.66 1s61 h ILE 15 Cb 1.26 1.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.26 1s61 h ILE 15 CO 0.58 0.30 0.11 0.22 0.00 0.00 0.00 178.15 179.36 1s61 h TYR 16 N 0.53 0.16 -0.29 1.37 3.20 -1.34 0.14 116.97 120.75 1s61 h TYR 16 Ca 0.11 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1s61 h TYR 16 Cb 0.40 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1s61 h TYR 16 CO 0.01 -0.05 0.13 -0.44 -1.64 0.00 0.00 178.16 176.18 1s61 h ASP 17 N 0.24 0.38 0.36 -2.11 3.32 -1.52 0.01 116.42 117.10 1s61 h ASP 17 Ca 0.31 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1s61 h ASP 17 Cb 0.46 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1s61 h ASP 17 CO -0.41 0.41 -0.39 0.11 -1.72 0.00 0.00 179.24 177.23 1s61 h LYS 18 N 0.32 0.04 0.00 3.56 1.57 -0.44 -2.94 116.57 118.68 1s61 h LYS 18 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1s61 h LYS 18 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1s61 h LYS 18 CO -0.01 0.43 -0.24 0.97 -0.57 0.00 0.00 179.45 180.02 1s61 h ILE 19 N 0.04 0.00 0.00 1.86 2.10 -0.65 -3.48 117.51 117.37 1s61 h ILE 19 Ca 0.00 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 65.15 1s61 h ILE 19 Cb 0.71 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 1s61 h ILE 19 CO 0.05 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.73 1s61 n GLY 20 N 1.20 1.49 7.00 8.18 0.00 -1.11 -4.79 105.19 117.15 1s61 n GLY 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s61 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s61 n GLY 21 N -0.53 -0.25 0.17 -0.02 0.00 -0.02 -3.59 105.19 100.95 1s61 n GLY 21 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1s61 n GLY 21 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1s61 h HIS 22 N 0.00 0.47 -0.02 1.61 2.07 -1.97 -1.87 115.15 115.43 1s61 h HIS 22 Ca 0.00 -0.20 -0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1s61 h HIS 22 Cb 0.00 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 29.90 1s61 h HIS 22 CO 0.00 0.94 0.01 0.93 -3.07 0.00 0.00 177.93 176.74 1s61 h GLU 23 N 0.25 0.03 -0.59 5.12 5.08 -2.00 0.51 114.58 122.98 1s61 h GLU 23 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s61 h GLU 23 Cb 1.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1s61 h GLU 23 CO 0.12 0.11 0.28 0.00 -1.00 0.00 0.00 179.01 178.52 1s61 h ALA 24 N 0.92 1.38 -0.20 3.43 0.00 -1.56 -2.26 119.26 120.96 1s61 h ALA 24 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1s61 h ALA 24 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s61 h ALA 24 CO -0.00 0.49 -0.37 0.82 0.00 0.00 0.00 179.25 180.18 1s61 h ILE 25 N 0.83 1.33 -0.77 0.00 2.04 -1.00 -1.61 117.51 118.33 1s61 h ILE 25 Ca 0.21 -1.60 0.11 0.00 1.00 0.00 0.00 64.86 64.58 1s61 h ILE 25 Cb 0.09 1.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 1s61 h ILE 25 CO -0.03 0.50 0.39 -0.33 0.00 0.00 0.00 178.15 178.68 1s61 h GLU 26 N 0.29 0.61 -0.18 2.37 5.08 -0.76 -0.59 114.58 121.40 1s61 h GLU 26 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1s61 h GLU 26 Cb 0.97 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1s61 h GLU 26 CO 0.08 0.40 -0.04 0.28 -1.00 0.00 0.00 179.01 178.74 1s61 h VAL 27 N 0.63 1.29 -0.25 3.13 2.07 -1.29 -2.24 116.25 119.59 1s61 h VAL 27 Ca 0.39 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1s61 h VAL 27 Cb 0.46 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1s61 h VAL 27 CO -0.30 0.30 0.10 0.58 0.02 0.00 0.00 177.57 178.27 1s61 h VAL 28 N 0.07 0.96 -0.01 2.57 2.07 -0.90 -2.61 116.25 118.39 1s61 h VAL 28 Ca 0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1s61 h VAL 28 Cb 0.48 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1s61 h VAL 28 CO 0.02 0.04 0.01 0.58 0.02 0.00 0.00 177.57 178.24 1s61 h VAL 29 N 0.22 1.06 -0.40 2.57 2.07 -1.06 0.16 116.25 120.87 1s61 h VAL 29 Ca 0.11 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1s61 h VAL 29 Cb 0.06 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1s61 h VAL 29 CO -0.10 0.05 -0.38 -0.08 0.02 0.00 0.00 177.57 177.08 1s61 h GLU 30 N -0.05 -0.28 -0.00 1.57 4.57 -1.28 -1.18 114.58 117.92 1s61 h GLU 30 Ca 0.00 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1s61 h GLU 30 Cb 0.07 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1s61 h GLU 30 CO -0.00 -0.19 -0.34 0.22 -1.18 0.00 0.00 179.01 177.52 1s61 h ASP 31 N -0.29 0.01 -0.15 1.04 3.58 -1.13 -2.05 116.42 117.42 1s61 h ASP 31 Ca 0.16 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1s61 h ASP 31 Cb 0.57 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1s61 h ASP 31 CO -0.55 0.34 -0.01 0.15 -2.88 0.00 0.00 179.24 176.29 1s61 h PHE 32 N 0.01 -0.02 -0.08 0.28 3.57 0.15 -2.57 116.94 118.27 1s61 h PHE 32 Ca -0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1s61 h PHE 32 Cb 0.60 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1s61 h PHE 32 CO 0.00 -0.03 -0.50 1.88 -2.23 0.00 0.00 178.31 177.43 1s61 h TYR 33 N 0.04 0.24 -0.68 0.41 0.05 -0.93 -0.13 116.97 115.97 1s61 h TYR 33 Ca 0.07 -0.08 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1s61 h TYR 33 Cb 0.09 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 1s61 h TYR 33 CO -0.16 0.66 0.29 0.28 -1.05 0.00 0.00 178.16 178.18 1s61 h VAL 34 N 0.16 0.77 -0.32 -2.88 2.07 -1.26 0.13 116.25 114.92 1s61 h VAL 34 Ca 0.01 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 1s61 h VAL 34 Cb 0.93 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1s61 h VAL 34 CO 0.07 0.09 -0.49 0.03 0.02 0.00 0.00 177.57 177.29 1s61 h ARG 35 N 0.48 0.89 -0.19 1.57 3.08 -1.01 -2.61 114.38 116.61 1s61 h ARG 35 Ca 0.34 -0.54 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 1s61 h ARG 35 Cb 0.43 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1s61 h ARG 35 CO -0.31 1.18 -0.23 0.28 -1.07 0.00 0.00 179.97 179.81 1s61 h VAL 36 N 0.69 1.34 0.00 2.04 2.07 -0.63 -2.94 116.25 118.83 1s61 h VAL 36 Ca 0.03 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1s61 h VAL 36 Cb 1.10 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1s61 h VAL 36 CO 0.11 0.43 -0.04 -0.07 0.02 0.00 0.00 177.57 178.02 1s61 h LEU 37 N 0.14 0.00 -0.20 2.57 3.38 -0.80 -1.34 115.31 119.05 1s61 h LEU 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1s61 h LEU 37 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1s61 h LEU 37 CO 0.05 0.04 -0.14 0.00 0.09 0.00 0.00 178.44 178.49 1s61 n ALA 38 N -2.12 2.80 -2.57 1.53 0.00 -0.98 -4.73 120.51 114.44 1s61 n ALA 38 Ca 0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 1s61 n ALA 38 Cb 0.31 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 1s61 n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s61 s ASP 39 N -2.57 6.36 0.59 0.00 -1.08 -0.50 -4.94 116.67 114.52 1s61 s ASP 39 Ca 0.26 0.11 0.36 0.00 -0.52 0.00 0.00 52.55 52.76 1s61 s ASP 39 Cb 0.20 -2.28 1.76 0.00 -1.46 0.00 0.00 42.92 41.14 1s61 s ASP 39 CO 0.50 -0.47 2.14 0.44 0.52 0.00 0.00 175.17 178.30 1s61 h ASP 40 N 8.38 0.00 1.35 -0.34 3.32 -1.87 0.19 116.42 127.45 1s61 h ASP 40 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1s61 h ASP 40 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1s61 h ASP 40 CO 0.78 0.03 -0.12 0.00 -1.72 0.00 0.00 179.24 178.21 1s61 n GLN 41 N -3.20 0.26 -0.01 3.56 6.02 -1.26 -4.16 117.38 118.59 1s61 n GLN 41 Ca -0.01 0.18 -0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1s61 n GLN 41 Cb 0.21 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 1s61 n GLN 41 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s61 n LEU 42 N -2.21 0.00 0.21 1.08 4.77 -0.05 -4.84 117.00 115.97 1s61 n LEU 42 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1s61 n LEU 42 Cb 0.43 0.03 0.46 0.00 -2.33 0.00 0.00 43.42 42.01 1s61 n LEU 42 CO 0.31 0.03 0.85 0.77 -1.33 0.00 0.00 177.39 178.02 1s61 h SER 43 N 0.00 0.00 0.64 -1.43 4.64 -0.88 -1.94 113.55 114.57 1s61 h SER 43 Ca -0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1s61 h SER 43 Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1s61 h SER 43 CO 0.00 0.24 -0.07 0.00 -0.87 0.00 0.00 176.83 176.13 1s61 h ALA 44 N 1.76 1.09 0.00 5.18 0.00 -1.84 -1.18 119.26 124.26 1s61 h ALA 44 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s61 h ALA 44 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1s61 h ALA 44 CO 0.03 0.09 -0.00 0.74 0.00 0.00 0.00 179.25 180.11 1s61 h PHE 45 N 0.00 0.00 -0.31 0.00 0.04 -1.71 -3.08 116.94 111.89 1s61 h PHE 45 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s61 h PHE 45 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1s61 h PHE 45 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1s61 n PHE 46 N -3.09 0.70 -2.43 -0.55 3.72 -0.45 -4.91 117.46 110.45 1s61 n PHE 46 Ca -0.01 -0.67 -0.42 0.00 -0.05 0.00 0.00 57.45 56.30 1s61 n PHE 46 Cb 0.22 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1s61 n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1s61 s SER 47 N -1.42 7.03 0.00 4.37 1.04 -1.17 -1.96 113.70 121.60 1s61 s SER 47 Ca 0.32 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1s61 s SER 47 Cb 0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1s61 s SER 47 CO 0.13 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1s61 n GLY 48 N 3.39 1.66 3.76 7.32 0.00 -1.26 -5.05 105.19 115.01 1s61 n GLY 48 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1s61 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s61 s THR 49 N -2.35 3.41 -1.00 2.61 2.01 -0.83 -4.94 115.64 114.55 1s61 s THR 49 Ca 0.00 1.42 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 1s61 s THR 49 Cb 0.00 -3.90 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1s61 s THR 49 CO 0.00 0.34 1.44 0.21 -0.69 0.00 0.00 174.62 175.92 1s61 s ASN 50 N -0.85 6.48 0.17 3.53 3.84 -1.26 -4.87 114.94 121.99 1s61 s ASN 50 Ca 0.45 -1.39 -0.14 0.00 0.21 0.00 0.00 52.86 51.99 1s61 s ASN 50 Cb -0.33 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 37.88 1s61 s ASN 50 CO 0.42 -1.53 1.83 0.24 -2.79 0.00 0.00 177.10 175.27 1s61 h MET 51 N 9.81 0.66 -0.65 0.43 2.86 -1.93 -1.93 114.93 124.18 1s61 h MET 51 Ca 0.17 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.87 1s61 h MET 51 Cb 1.01 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.45 1s61 h MET 51 CO 1.42 0.44 0.26 1.03 1.06 0.00 0.00 176.91 181.11 1s61 h SER 52 N 0.68 0.27 -0.08 1.22 0.87 -2.00 0.61 113.55 115.12 1s61 h SER 52 Ca 0.20 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1s61 h SER 52 Cb -0.04 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1s61 h SER 52 CO -0.06 0.15 0.01 -0.09 -0.53 0.00 0.00 176.83 176.31 1s61 h ARG 53 N 0.44 0.14 -0.80 2.24 2.43 -1.90 -2.49 114.38 114.44 1s61 h ARG 53 Ca 0.33 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1s61 h ARG 53 Cb 0.41 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 1s61 h ARG 53 CO -0.32 0.35 0.49 1.25 -1.51 0.00 0.00 179.97 180.23 1s61 h LEU 54 N -0.10 0.79 -0.71 3.80 5.85 -0.69 -1.60 115.31 122.65 1s61 h LEU 54 Ca 0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1s61 h LEU 54 Cb 0.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1s61 h LEU 54 CO 0.00 0.52 0.29 0.11 -0.34 0.00 0.00 178.44 179.02 1s61 h LYS 55 N 0.92 1.06 -0.98 1.25 1.57 -0.80 0.51 116.57 120.10 1s61 h LYS 55 Ca 0.34 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1s61 h LYS 55 Cb 0.12 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1s61 h LYS 55 CO -0.15 0.87 0.63 0.78 -0.57 0.00 0.00 179.45 181.01 1s61 h GLY 56 N 1.01 1.39 1.40 3.86 0.00 -0.95 -0.97 103.07 108.80 1s61 h GLY 56 Ca 0.24 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 1s61 h GLY 56 CO -0.02 0.53 -0.54 0.50 0.00 0.00 0.00 176.54 177.01 1s61 h LYS 57 N 1.34 0.64 -0.54 4.80 1.79 -0.66 -2.38 116.57 121.55 1s61 h LYS 57 Ca 0.36 -0.40 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1s61 h LYS 57 Cb -0.13 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1s61 h LYS 57 CO -0.07 1.01 0.09 0.37 -1.08 0.00 0.00 179.45 179.77 1s61 h GLN 58 N 0.49 0.89 -0.39 3.15 5.75 -0.65 0.86 115.11 125.20 1s61 h GLN 58 Ca 0.01 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1s61 h GLN 58 Cb 1.10 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.49 1s61 h GLN 58 CO 0.11 0.86 0.13 0.28 -2.65 0.00 0.00 178.83 177.55 1s61 h VAL 59 N 0.78 0.86 -0.80 2.39 2.07 -1.16 0.86 116.25 121.25 1s61 h VAL 59 Ca 0.17 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1s61 h VAL 59 Cb 0.40 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1s61 h VAL 59 CO 0.01 0.05 0.45 -0.33 0.02 0.00 0.00 177.57 177.77 1s61 h GLU 60 N 0.28 1.10 -0.29 1.57 5.08 -1.07 -1.47 114.58 119.78 1s61 h GLU 60 Ca 0.18 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1s61 h GLU 60 Cb 0.18 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1s61 h GLU 60 CO -0.20 0.80 -0.40 0.35 -1.00 0.00 0.00 179.01 178.57 1s61 h PHE 61 N 1.10 0.95 -0.28 4.33 3.57 -0.34 -1.35 116.94 124.92 1s61 h PHE 61 Ca 0.28 -0.31 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1s61 h PHE 61 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1s61 h PHE 61 CO -0.00 1.10 -0.22 0.35 -2.23 0.00 0.00 178.31 177.31 1s61 h PHE 62 N 0.53 0.76 -0.44 0.41 3.57 -0.80 0.35 116.94 121.31 1s61 h PHE 62 Ca 0.03 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 1s61 h PHE 62 Cb 0.99 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1s61 h PHE 62 CO 0.08 0.92 0.20 0.00 -2.23 0.00 0.00 178.31 177.27 1s61 h ALA 63 N 0.71 0.57 -0.18 2.41 0.00 -1.22 -0.61 119.26 120.94 1s61 h ALA 63 Ca 0.05 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1s61 h ALA 63 Cb 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s61 h ALA 63 CO 0.06 0.15 -0.33 0.00 0.00 0.00 0.00 179.25 179.12 1s61 h ALA 64 N 1.04 0.28 -0.21 0.00 0.00 -1.09 0.13 119.26 119.41 1s61 h ALA 64 Ca 0.15 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1s61 h ALA 64 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s61 h ALA 64 CO -0.02 0.33 0.14 0.00 0.00 0.00 0.00 179.25 179.71 1s61 h ALA 65 N 0.59 2.05 -0.28 0.00 0.00 -0.84 -1.43 119.26 119.35 1s61 h ALA 65 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s61 h ALA 65 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1s61 h ALA 65 CO 0.08 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1s61 n LEU 66 N -4.50 1.74 0.00 0.00 4.77 -0.25 -4.90 117.00 113.86 1s61 n LEU 66 Ca 0.01 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1s61 n LEU 66 Cb 0.20 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1s61 n LEU 66 CO 0.35 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1s61 n GLY 67 N 0.87 0.76 3.77 -0.72 0.00 -0.54 -0.88 105.19 108.45 1s61 n GLY 67 Ca 0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1s61 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s61 s GLY 68 N -2.17 1.63 0.40 -0.02 0.00 0.42 -4.84 107.32 102.74 1s61 s GLY 68 Ca 0.00 -0.80 0.21 0.00 0.00 0.00 0.00 44.72 44.14 1s61 s GLY 68 CO 0.00 -0.10 1.57 -0.56 0.00 0.00 0.00 173.10 174.01 1s61 h PRO 69 N -1.84 0.00 -5.91 2.90 0.13 -1.95 -3.44 132.00 121.88 1s61 h PRO 69 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1s61 h PRO 69 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 1s61 h PRO 69 CO 0.49 0.10 -0.56 -1.21 -0.23 0.00 0.00 178.00 176.59 1s61 s GLU 70 N -3.16 3.15 0.69 0.86 2.02 -1.26 -5.08 118.70 115.92 1s61 s GLU 70 Ca 0.06 -0.39 -0.16 0.00 0.02 0.00 0.00 54.97 54.51 1s61 s GLU 70 Cb 0.06 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.38 1s61 s GLU 70 CO 0.69 0.69 1.19 -2.14 0.02 0.00 0.00 175.26 175.71 1s61 s PRO 71 N -1.45 2.39 -0.00 0.39 0.02 -1.26 -4.54 135.00 130.54 1s61 s PRO 71 Ca 0.20 1.72 -0.25 0.00 0.02 0.00 0.00 61.00 62.69 1s61 s PRO 71 Cb -0.12 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1s61 s PRO 71 CO 0.10 -1.63 0.76 -0.47 -0.33 0.00 0.00 177.00 175.43 1s61 s TYR 72 N -1.96 3.66 -0.96 6.54 5.04 -1.26 -4.95 117.35 123.47 1s61 s TYR 72 Ca 0.74 1.40 0.09 0.00 -2.44 0.00 0.00 57.07 56.86 1s61 s TYR 72 Cb -0.28 -2.84 0.16 0.00 0.35 0.00 0.00 41.96 39.35 1s61 s TYR 72 CO 0.42 0.17 1.00 0.25 -1.34 0.00 0.00 175.55 176.06 1s61 n THR 73 N 3.30 0.51 -1.46 4.34 -2.24 -1.26 -5.02 114.28 112.45 1s61 n THR 73 Ca -0.01 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1s61 n THR 73 Cb 0.51 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1s61 n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s61 n GLY 74 N 0.43 0.49 3.88 3.38 0.00 -1.26 -5.09 105.19 107.01 1s61 n GLY 74 Ca 0.08 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1s61 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s61 s ALA 75 N -3.01 3.39 0.75 4.61 0.00 -1.26 -5.07 121.76 121.18 1s61 s ALA 75 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1s61 s ALA 75 Cb 0.00 -2.65 0.05 0.00 0.00 0.00 0.00 23.12 20.53 1s61 s ALA 75 CO 0.00 0.07 1.13 -2.14 0.00 0.00 0.00 175.76 174.82 1s61 s PRO 76 N -3.70 2.19 0.23 0.00 0.02 -1.26 -4.83 135.00 127.66 1s61 s PRO 76 Ca 0.50 1.42 -0.05 0.00 0.02 0.00 0.00 61.00 62.89 1s61 s PRO 76 Cb -0.10 -1.87 0.23 0.00 0.02 0.00 0.00 34.50 32.78 1s61 s PRO 76 CO 0.29 -1.73 1.74 0.52 -0.33 0.00 0.00 177.00 177.50 1s61 h MET 77 N -0.73 0.96 -0.15 5.54 2.86 -1.97 -2.31 114.93 119.12 1s61 h MET 77 Ca -0.45 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 56.92 1s61 h MET 77 Cb 1.25 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1s61 h MET 77 CO 0.50 0.90 -0.01 -0.22 1.06 0.00 0.00 176.91 179.14 1s61 h LYS 78 N 0.90 0.27 -0.25 1.72 3.64 -1.92 -2.67 116.57 118.26 1s61 h LYS 78 Ca 0.18 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1s61 h LYS 78 Cb 0.42 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1s61 h LYS 78 CO 0.01 0.51 0.15 0.37 -2.27 0.00 0.00 179.45 178.23 1s61 h GLN 79 N 0.01 0.35 -0.20 1.90 4.15 -1.85 -2.10 115.11 117.37 1s61 h GLN 79 Ca 0.04 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1s61 h GLN 79 Cb 0.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1s61 h GLN 79 CO 0.01 0.27 -0.30 -0.24 -1.93 0.00 0.00 178.83 176.64 1s61 h VAL 80 N 0.32 1.27 -0.01 2.39 3.04 -1.41 -2.74 116.25 119.12 1s61 h VAL 80 Ca 0.09 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1s61 h VAL 80 Cb 0.01 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1s61 h VAL 80 CO -0.02 0.41 -0.29 1.41 -1.01 0.00 0.00 177.57 178.08 1s61 n HIS 81 N -4.10 0.00 -1.68 3.17 8.25 -1.01 -4.93 115.22 114.91 1s61 n HIS 81 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.01 1s61 n HIS 81 Cb 0.42 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1s61 n HIS 81 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1s61 n GLN 82 N -0.54 2.15 -0.83 -0.41 7.27 -0.80 -2.78 117.38 121.44 1s61 n GLN 82 Ca 0.12 0.77 0.00 0.00 0.07 0.00 0.00 57.00 57.96 1s61 n GLN 82 Cb 0.37 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1s61 n GLN 82 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s61 n GLY 83 N 2.31 0.57 0.07 1.69 0.00 -1.26 -4.88 105.19 103.70 1s61 n GLY 83 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1s61 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s61 n ARG 84 N -2.83 2.79 -1.89 1.61 1.74 -1.12 -4.99 116.66 111.97 1s61 n ARG 84 Ca 0.00 -0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 56.73 1s61 n ARG 84 Cb 0.00 -1.09 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1s61 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s61 n GLY 85 N 1.21 0.78 3.68 -0.13 0.00 -1.26 -4.95 105.19 104.52 1s61 n GLY 85 Ca 0.03 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 1s61 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s61 n ILE 86 N -3.19 0.19 -3.20 -0.61 5.41 -1.26 -4.68 119.36 112.02 1s61 n ILE 86 Ca -0.19 -0.03 -0.18 0.00 1.00 0.00 0.00 62.75 63.34 1s61 n ILE 86 Cb 0.61 -1.82 -0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1s61 n ILE 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1s61 s THR 87 N 1.93 3.03 0.44 1.39 -4.23 -1.26 -1.12 115.64 115.83 1s61 s THR 87 Ca 0.81 -1.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.46 1s61 s THR 87 Cb -0.60 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.45 1s61 s THR 87 CO 0.39 -0.02 2.05 0.24 -0.54 0.00 0.00 174.62 176.74 1s61 h MET 88 N 0.77 0.00 -0.53 3.99 2.86 -1.30 -0.17 114.93 120.54 1s61 h MET 88 Ca -0.41 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1s61 h MET 88 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1s61 h MET 88 CO 0.49 0.14 -0.04 1.25 1.06 0.00 0.00 176.91 179.81 1s61 h HIS 89 N 0.00 1.01 -0.49 -0.22 -0.00 -1.68 -2.08 115.15 111.69 1s61 h HIS 89 Ca -0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.37 60.10 1s61 h HIS 89 Cb 0.31 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1s61 h HIS 89 CO 0.00 0.93 -0.07 0.45 -0.00 0.00 0.00 177.93 179.24 1s61 h HIS 90 N 0.85 0.95 -0.38 5.26 -0.00 -1.38 -2.51 115.15 117.94 1s61 h HIS 90 Ca 0.15 -0.17 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 1s61 h HIS 90 Cb 0.55 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1s61 h HIS 90 CO 0.03 0.90 -0.07 0.35 -0.00 0.00 0.00 177.93 179.14 1s61 h PHE 91 N 0.79 0.80 -0.61 2.45 3.57 -1.16 -1.47 116.94 121.31 1s61 h PHE 91 Ca 0.14 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 61.58 1s61 h PHE 91 Cb 0.57 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 1s61 h PHE 91 CO 0.03 0.84 0.19 0.77 -2.23 0.00 0.00 178.31 177.91 1s61 h SER 92 N 0.52 0.13 -0.16 0.41 0.02 -1.30 0.22 113.55 113.39 1s61 h SER 92 Ca 0.10 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1s61 h SER 92 Cb 0.57 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1s61 h SER 92 CO 0.03 0.07 0.09 -0.07 -1.14 0.00 0.00 176.83 175.82 1s61 h LEU 93 N 0.34 0.20 -0.50 5.07 3.38 -1.19 0.67 115.31 123.28 1s61 h LEU 93 Ca 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1s61 h LEU 93 Cb 0.44 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1s61 h LEU 93 CO -0.36 0.22 0.24 0.58 0.09 0.00 0.00 178.44 179.21 1s61 h VAL 94 N 0.16 1.19 -0.79 1.22 2.07 -0.95 -0.34 116.25 118.81 1s61 h VAL 94 Ca 0.06 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1s61 h VAL 94 Cb 0.07 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1s61 h VAL 94 CO -0.01 0.21 0.30 0.00 0.02 0.00 0.00 177.57 178.10 1s61 h ALA 95 N 1.08 1.03 -0.49 1.67 0.00 -0.47 -0.38 119.26 121.70 1s61 h ALA 95 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s61 h ALA 95 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1s61 h ALA 95 CO -0.02 0.67 0.32 0.78 0.00 0.00 0.00 179.25 181.00 1s61 h GLY 96 N 1.15 0.68 1.64 0.00 0.00 -0.58 -1.04 103.07 104.93 1s61 h GLY 96 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1s61 h GLY 96 CO -0.02 0.25 -0.04 0.45 0.00 0.00 0.00 176.54 177.18 1s61 h HIS 97 N 0.66 0.46 -0.11 5.60 3.86 -0.63 -1.17 115.15 123.82 1s61 h HIS 97 Ca 0.18 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1s61 h HIS 97 Cb -0.08 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 1s61 h HIS 97 CO -0.04 0.49 0.02 1.25 0.86 0.00 0.00 177.93 180.51 1s61 h LEU 98 N 0.43 0.17 -0.68 2.43 5.85 -0.78 -1.76 115.31 120.97 1s61 h LEU 98 Ca 0.09 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1s61 h LEU 98 Cb 0.34 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1s61 h LEU 98 CO 0.01 0.38 0.36 0.00 -0.34 0.00 0.00 178.44 178.85 1s61 h ALA 99 N 0.80 0.92 -0.88 1.25 0.00 -0.86 -1.06 119.26 119.42 1s61 h ALA 99 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1s61 h ALA 99 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1s61 h ALA 99 CO 0.00 -0.00 0.58 -0.44 0.00 0.00 0.00 179.25 179.39 1s61 h ASP 100 N 0.64 1.00 0.23 0.00 3.32 -1.10 0.99 116.42 121.49 1s61 h ASP 100 Ca 0.32 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 1s61 h ASP 100 Cb 0.27 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1s61 h ASP 100 CO -0.22 0.72 -0.79 0.00 -1.72 0.00 0.00 179.24 177.23 1s61 h ALA 101 N 1.33 0.50 -0.36 3.45 0.00 -0.83 0.31 119.26 123.65 1s61 h ALA 101 Ca 0.33 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1s61 h ALA 101 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s61 h ALA 101 CO -0.08 0.77 -0.42 -0.07 0.00 0.00 0.00 179.25 179.45 1s61 h LEU 102 N 0.30 0.99 -1.02 0.00 3.38 -0.99 -1.99 115.31 115.97 1s61 h LEU 102 Ca -0.05 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1s61 h LEU 102 Cb 1.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1s61 h LEU 102 CO 0.14 1.26 0.02 0.74 0.09 0.00 0.00 178.44 180.70 1s61 h THR 103 N 0.74 1.23 -0.20 0.22 2.02 -0.64 -2.15 112.91 114.13 1s61 h THR 103 Ca 0.05 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1s61 h THR 103 Cb 1.01 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1s61 h THR 103 CO 0.10 0.32 -0.28 0.00 0.37 0.00 0.00 175.52 176.04 1s61 h ALA 104 N 1.34 1.16 -0.01 6.16 0.00 -0.77 -2.28 119.26 124.86 1s61 h ALA 104 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s61 h ALA 104 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s61 h ALA 104 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1s61 n ALA 105 N -2.48 2.64 -2.15 0.00 0.00 -0.76 -4.90 120.51 112.85 1s61 n ALA 105 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 1s61 n ALA 105 Cb 0.40 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1s61 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s61 n GLY 106 N 1.04 0.34 3.71 0.00 0.00 -0.86 -5.01 105.19 104.41 1s61 n GLY 106 Ca 0.21 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1s61 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s61 s VAL 107 N -2.29 4.93 0.58 1.61 1.01 -0.83 -5.00 120.40 120.41 1s61 s VAL 107 Ca 0.01 1.78 -0.20 0.00 0.00 0.00 0.00 61.98 63.57 1s61 s VAL 107 Cb -0.01 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1s61 s VAL 107 CO 0.02 0.17 1.33 -2.16 0.00 0.00 0.00 175.10 174.46 1s61 s PRO 108 N 1.12 2.96 0.26 2.72 0.04 -1.26 -4.65 135.00 136.18 1s61 s PRO 108 Ca 0.45 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 1s61 s PRO 108 Cb -0.19 -2.12 0.52 0.00 0.04 0.00 0.00 34.50 32.75 1s61 s PRO 108 CO 0.22 -1.31 1.75 0.77 0.04 0.00 0.00 177.00 178.47 1s61 h SER 109 N 1.16 0.45 0.21 6.66 0.02 -1.98 -1.94 113.55 118.14 1s61 h SER 109 Ca -0.51 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 1s61 h SER 109 Cb 1.31 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1s61 h SER 109 CO 0.56 0.18 -0.34 1.05 -1.14 0.00 0.00 176.83 177.13 1s61 h GLU 110 N 0.56 0.19 0.05 3.45 9.09 -2.00 -0.97 114.58 124.96 1s61 h GLU 110 Ca 0.45 -0.08 -0.25 0.00 0.05 0.00 0.00 59.36 59.54 1s61 h GLU 110 Cb 0.67 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.77 1s61 h GLU 110 CO -0.38 0.52 -1.07 1.15 0.05 0.00 0.00 179.01 179.27 1s61 h THR 111 N 0.17 1.40 -0.56 -1.06 2.02 -1.78 -2.66 112.91 110.43 1s61 h THR 111 Ca 0.02 -2.59 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 1s61 h THR 111 Cb 0.69 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 1s61 h THR 111 CO 0.05 0.77 0.35 0.40 0.37 0.00 0.00 175.52 177.46 1s61 h ILE 112 N 0.21 1.16 -0.86 3.11 2.04 -0.87 -0.57 117.51 121.73 1s61 h ILE 112 Ca -0.11 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1s61 h ILE 112 Cb 1.74 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1s61 h ILE 112 CO 0.19 0.17 0.56 0.74 0.00 0.00 0.00 178.15 179.81 1s61 h THR 113 N 0.76 1.22 -0.51 -0.27 2.02 -1.18 -1.49 112.91 113.46 1s61 h THR 113 Ca 0.20 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1s61 h THR 113 Cb -0.03 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1s61 h THR 113 CO -0.04 0.22 0.23 -0.33 0.37 0.00 0.00 175.52 175.97 1s61 h GLU 114 N 1.17 0.75 -0.15 6.66 5.08 -1.06 -1.77 114.58 125.25 1s61 h GLU 114 Ca 0.31 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1s61 h GLU 114 Cb -0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1s61 h GLU 114 CO -0.07 0.64 0.07 0.82 -1.00 0.00 0.00 179.01 179.47 1s61 h ILE 115 N 0.68 0.99 0.00 3.13 2.04 -0.63 -2.39 117.51 121.33 1s61 h ILE 115 Ca 0.17 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1s61 h ILE 115 Cb 0.15 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1s61 h ILE 115 CO -0.02 0.03 -0.02 -0.07 0.00 0.00 0.00 178.15 178.06 1s61 h LEU 116 N 0.15 0.00 -0.91 1.44 3.38 -1.22 0.40 115.31 118.56 1s61 h LEU 116 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1s61 h LEU 116 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1s61 h LEU 116 CO -0.05 0.02 -0.40 1.23 0.09 0.00 0.00 178.44 179.34 1s61 h GLY 117 N 1.18 0.31 1.92 0.83 0.00 -0.82 -1.50 103.07 104.99 1s61 h GLY 117 Ca -0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1s61 h GLY 117 CO 0.00 0.27 -1.01 -2.08 0.00 0.00 0.00 176.54 173.72 1s61 h VAL 118 N 0.24 1.57 0.06 4.60 2.07 -0.64 -3.37 116.25 120.79 1s61 h VAL 118 Ca 0.02 -3.26 -0.20 0.00 0.82 0.00 0.00 66.70 64.08 1s61 h VAL 118 Cb 0.82 2.78 0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1s61 h VAL 118 CO 0.06 0.90 -0.83 0.40 0.02 0.00 0.00 177.57 178.12 1s61 h ILE 119 N 0.00 1.40 -0.21 4.57 1.08 -1.18 -3.38 117.51 119.79 1s61 h ILE 119 Ca -0.03 -2.28 0.06 0.00 -0.39 0.00 0.00 64.86 62.22 1s61 h ILE 119 Cb 1.75 2.74 -0.07 0.00 -3.07 0.00 0.00 36.82 38.18 1s61 h ILE 119 CO 0.12 0.67 -0.24 0.00 -0.69 0.00 0.00 178.15 178.01 1s61 h ALA 120 N 0.26 -0.15 -0.68 1.87 0.00 -1.44 0.63 119.26 119.76 1s61 h ALA 120 Ca -0.12 0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.05 1s61 h ALA 120 Cb 1.55 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1s61 h ALA 120 CO 0.16 -0.67 0.74 -1.00 0.00 0.00 0.00 179.25 178.48 1s61 h PRO 121 N -0.26 0.00 0.00 0.00 0.13 -1.77 -1.75 132.00 128.36 1s61 h PRO 121 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1s61 h PRO 121 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1s61 h PRO 121 CO -0.36 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.69 1s61 n LEU 122 N -3.57 0.63 0.13 1.56 4.77 0.21 -3.03 117.00 117.71 1s61 n LEU 122 Ca 0.14 0.63 0.16 0.00 -0.03 0.00 0.00 56.01 56.92 1s61 n LEU 122 Cb 0.98 -0.52 0.73 0.00 -2.33 0.00 0.00 43.42 42.28 1s61 n LEU 122 CO 0.27 -0.45 1.15 0.00 -1.33 0.00 0.00 177.39 177.02 1s61 h ALA 123 N 2.35 2.14 -0.01 -1.18 0.00 -1.44 -1.09 119.26 120.04 1s61 h ALA 123 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1s61 h ALA 123 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s61 h ALA 123 CO 0.00 -0.38 -0.80 0.28 0.00 0.00 0.00 179.25 178.35 1s61 h VAL 124 N 0.00 1.50 0.02 0.00 2.07 -1.79 -1.98 116.25 116.07 1s61 h VAL 124 Ca 0.14 -2.53 -0.27 0.00 0.82 0.00 0.00 66.70 64.86 1s61 h VAL 124 Cb 0.60 2.38 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1s61 h VAL 124 CO -0.00 0.73 -1.08 0.44 0.02 0.00 0.00 177.57 177.68 1s61 h ASP 125 N 0.08 0.91 1.30 0.57 5.19 -1.46 -3.35 116.42 119.66 1s61 h ASP 125 Ca -0.03 -0.75 -0.14 0.00 -0.62 0.00 0.00 57.03 55.49 1s61 h ASP 125 Cb 1.40 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1s61 h ASP 125 CO 0.12 1.55 -0.70 0.58 -3.12 0.00 0.00 179.24 177.66 1s61 h VAL 126 N 0.37 1.11 -2.78 -1.35 2.07 -1.30 -3.35 116.25 111.01 1s61 h VAL 126 Ca -0.14 -2.58 -0.65 0.00 0.82 0.00 0.00 66.70 64.15 1s61 h VAL 126 Cb 1.74 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 33.98 1s61 h VAL 126 CO 0.21 0.63 -0.41 -0.89 0.02 0.00 0.00 177.57 177.13 1s61 s THR 127 N -2.88 5.37 -0.33 2.57 2.01 -0.75 -4.72 115.64 116.92 1s61 s THR 127 Ca 0.03 0.28 0.10 0.00 0.31 0.00 0.00 61.69 62.41 1s61 s THR 127 Cb 0.08 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.97 1s61 s THR 127 CO 0.77 0.53 0.36 -1.20 -0.69 0.00 0.00 174.62 174.39 1s61 n SER 128 N 1.66 1.14 -3.98 3.53 7.64 -0.27 -4.89 113.62 118.45 1s61 n SER 128 Ca -0.16 -0.51 -0.17 0.00 1.01 0.00 0.00 58.87 59.04 1s61 n SER 128 Cb 0.54 1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 64.73 1s61 n SER 128 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1s61 s GLY 129 N -2.30 0.34 0.25 0.23 0.00 -1.02 -4.99 107.32 99.82 1s61 s GLY 129 Ca 0.01 -0.29 0.26 0.00 0.00 0.00 0.00 44.72 44.70 1s61 s GLY 129 CO 0.41 -0.22 1.76 0.83 0.00 0.00 0.00 173.10 175.87 1s61 h GLU 130 N 6.01 0.00 -6.43 2.90 5.08 -1.95 -2.27 114.58 117.92 1s61 h GLU 130 Ca -0.29 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.44 1s61 h GLU 130 Cb 1.18 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.52 1s61 h GLU 130 CO 0.50 0.00 0.34 0.45 -1.00 0.00 0.00 179.01 179.30 1s61 n SER 131 N -2.36 1.73 -0.32 1.42 2.88 -1.26 -4.46 113.62 111.25 1s61 n SER 131 Ca 0.05 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.77 1s61 n SER 131 Cb 0.41 -1.29 0.07 0.00 -0.75 0.00 0.00 64.21 62.65 1s61 n SER 131 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1s61 n THR 132 N 1.37 0.81 -3.75 2.46 -2.24 -1.26 -1.89 114.28 109.77 1s61 n THR 132 Ca 0.13 -0.90 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 1s61 n THR 132 Cb 0.28 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1s61 n THR 132 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1s61 s THR 133 N -0.90 5.24 0.51 4.28 -4.23 -1.26 -4.78 115.64 114.49 1s61 s THR 133 Ca 0.11 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1s61 s THR 133 Cb 0.06 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.22 1s61 s THR 133 CO 0.08 0.07 0.91 0.00 -0.54 0.00 0.00 174.62 175.14 1s61 s ALA 134 N -1.61 3.20 0.54 3.99 0.00 -1.26 -4.93 121.76 121.69 1s61 s ALA 134 Ca 0.39 -0.10 0.40 0.00 0.00 0.00 0.00 51.96 52.65 1s61 s ALA 134 Cb -0.12 -2.92 2.17 0.00 0.00 0.00 0.00 23.12 22.25 1s61 s ALA 134 CO 0.26 -0.31 2.22 -1.35 0.00 0.00 0.00 175.76 176.58 1s61 h PRO 135 N 0.58 0.00 0.00 0.00 0.11 -2.03 -3.55 132.00 127.10 1s61 h PRO 135 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s61 h PRO 135 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s61 h PRO 135 CO 0.62 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.69