#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 0.55 -0.23 0.99 5.85 -2.00 -1.11 115.31 119.35 1s61 h LEU 3 Ca 0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1s61 h LEU 3 Cb 0.00 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1s61 h LEU 3 CO 0.00 0.40 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.39 1s61 h LEU 4 N 0.65 -0.16 -0.90 2.25 3.38 -2.04 -1.07 115.31 117.42 1s61 h LEU 4 Ca 0.18 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1s61 h LEU 4 Cb -0.07 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1s61 h LEU 4 CO -0.04 -0.05 -0.42 -1.28 0.09 0.00 0.00 178.44 176.73 1s61 h SER 5 N 0.03 0.28 -0.74 -0.43 0.87 -1.88 -0.63 113.55 111.05 1s61 h SER 5 Ca 0.11 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1s61 h SER 5 Cb 0.16 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1s61 h SER 5 CO -0.22 0.68 0.25 0.03 -0.53 0.00 0.00 176.83 177.04 1s61 h ARG 6 N 0.22 1.15 -0.08 2.24 3.08 -0.76 -2.19 114.38 118.05 1s61 h ARG 6 Ca 0.02 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 1s61 h ARG 6 Cb 0.84 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1s61 h ARG 6 CO 0.07 0.96 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.47 1s61 h LEU 7 N 1.11 0.17 -1.56 3.04 3.38 -0.25 -1.80 115.31 119.41 1s61 h LEU 7 Ca 0.24 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1s61 h LEU 7 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1s61 h LEU 7 CO -0.01 0.55 -0.21 0.03 0.09 0.00 0.00 178.44 178.88 1s61 h ARG 8 N 0.14 0.01 -0.63 1.13 3.08 -0.56 -1.71 114.38 115.84 1s61 h ARG 8 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1s61 h ARG 8 Cb 0.75 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1s61 h ARG 8 CO 0.06 0.23 0.00 1.63 -1.07 0.00 0.00 179.97 180.81 1s61 n LYS 9 N -4.28 3.04 -2.87 0.04 5.02 -0.81 -4.93 118.16 113.37 1s61 n LYS 9 Ca -0.02 -2.37 -0.18 0.00 -2.02 0.00 0.00 58.31 53.72 1s61 n LYS 9 Cb 0.27 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.06 -3.04 -1.86 1.97 1.74 -0.64 -4.98 116.66 110.90 1s61 n ARG 10 Ca 0.22 0.61 -0.30 0.00 -0.77 0.00 0.00 57.85 57.61 1s61 n ARG 10 Cb 0.70 -5.30 0.04 0.00 -1.02 0.00 0.00 32.46 26.88 1s61 n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s61 s GLU 11 N -5.50 3.06 0.56 5.56 0.41 -0.74 -5.03 118.70 117.03 1s61 s GLU 11 Ca 0.19 0.57 -0.15 0.00 -0.41 0.00 0.00 54.97 55.17 1s61 s GLU 11 Cb -0.10 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.16 1s61 s GLU 11 CO 0.24 -0.91 1.01 -1.25 -0.49 0.00 0.00 175.26 173.86 1s61 s PRO 12 N -5.29 3.72 0.00 0.39 0.04 -1.26 -4.62 135.00 127.99 1s61 s PRO 12 Ca 0.57 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1s61 s PRO 12 Cb -0.11 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1s61 s PRO 12 CO 0.53 -0.46 1.11 0.42 0.04 0.00 0.00 177.00 178.64 1s61 s ILE 13 N -2.72 4.41 0.67 0.56 1.01 -1.26 -5.00 121.20 118.87 1s61 s ILE 13 Ca 0.59 1.73 -0.11 0.00 0.00 0.00 0.00 60.65 62.86 1s61 s ILE 13 Cb -0.11 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1s61 s ILE 13 CO 0.38 0.09 1.06 -0.94 0.00 0.00 0.00 174.94 175.54 1s61 s SER 14 N 1.13 5.79 0.25 3.58 1.04 -1.26 -4.92 113.70 119.31 1s61 s SER 14 Ca 0.55 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 58.19 1s61 s SER 14 Cb -0.25 -2.16 0.36 0.00 0.10 0.00 0.00 66.02 64.08 1s61 s SER 14 CO 0.26 -1.13 1.87 0.40 0.98 0.00 0.00 173.24 175.62 1s61 h ILE 15 N -0.50 1.09 -0.51 -1.02 2.04 -1.91 -2.06 117.51 114.64 1s61 h ILE 15 Ca -0.45 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.13 1s61 h ILE 15 Cb 1.23 -0.12 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 1s61 h ILE 15 CO 0.63 0.20 -0.22 0.22 0.00 0.00 0.00 178.15 178.98 1s61 h TYR 16 N 1.12 -0.56 -0.41 1.37 3.20 -1.32 -1.06 116.97 119.31 1s61 h TYR 16 Ca 0.40 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 62.21 1s61 h TYR 16 Cb 0.13 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1s61 h TYR 16 CO -0.01 -0.31 -0.21 -0.44 -1.64 0.00 0.00 178.16 175.55 1s61 h ASP 17 N -0.11 0.82 0.76 -2.11 3.32 -1.70 0.31 116.42 117.71 1s61 h ASP 17 Ca 0.24 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1s61 h ASP 17 Cb 0.47 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1s61 h ASP 17 CO -0.58 1.00 -0.33 2.29 -1.72 0.00 0.00 179.24 179.91 1s61 n LYS 18 N -4.12 0.05 0.00 3.56 2.85 -0.83 -2.55 118.16 117.12 1s61 n LYS 18 Ca 0.00 0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.40 1s61 n LYS 18 Cb 0.43 -1.54 0.18 0.00 -0.65 0.00 0.00 35.03 33.45 1s61 n LYS 18 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1s61 n ILE 19 N -1.61 0.00 0.00 0.58 -5.35 -0.46 -4.95 119.36 107.57 1s61 n ILE 19 Ca 0.06 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1s61 n ILE 19 Cb 0.35 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1s61 n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s61 n GLY 20 N 1.39 1.12 7.00 3.28 0.00 -1.06 -4.82 105.19 112.10 1s61 n GLY 20 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.22 0.32 -0.02 0.00 0.11 -3.97 105.19 101.85 1s61 n GLY 21 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 45.13 1s61 n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1s61 h HIS 22 N 0.00 0.94 0.00 1.61 2.76 -1.98 0.14 115.15 118.62 1s61 h HIS 22 Ca 0.00 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1s61 h HIS 22 Cb 0.00 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 1s61 h HIS 22 CO 0.00 0.43 -0.20 0.93 -1.30 0.00 0.00 177.93 177.78 1s61 h GLU 23 N 0.89 0.00 0.05 5.26 4.39 -1.99 -2.26 114.58 120.91 1s61 h GLU 23 Ca 0.39 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.91 1s61 h GLU 23 Cb 0.29 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1s61 h GLU 23 CO -0.21 0.20 -0.74 0.00 -1.16 0.00 0.00 179.01 177.10 1s61 h ALA 24 N 1.80 0.03 -0.77 3.43 0.00 -0.88 -2.41 119.26 120.45 1s61 h ALA 24 Ca -0.00 -0.63 0.09 0.00 0.00 0.00 0.00 54.91 54.37 1s61 h ALA 24 Cb 0.41 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1s61 h ALA 24 CO 0.03 0.41 0.42 0.82 0.00 0.00 0.00 179.25 180.93 1s61 h ILE 25 N -0.11 0.90 -0.29 0.00 1.08 -1.13 -0.47 117.51 117.49 1s61 h ILE 25 Ca -0.11 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.04 1s61 h ILE 25 Cb 1.47 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1s61 h ILE 25 CO 0.14 0.13 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.30 1s61 h GLU 26 N 0.72 0.58 -0.69 2.37 5.08 -1.35 0.11 114.58 121.41 1s61 h GLU 26 Ca 0.37 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1s61 h GLU 26 Cb 0.34 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1s61 h GLU 26 CO -0.24 0.79 0.45 0.28 -1.00 0.00 0.00 179.01 179.29 1s61 h VAL 27 N 0.33 1.16 0.10 3.13 2.07 -1.17 -2.17 116.25 119.69 1s61 h VAL 27 Ca 0.07 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1s61 h VAL 27 Cb 0.60 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1s61 h VAL 27 CO 0.04 0.17 -0.05 0.58 0.02 0.00 0.00 177.57 178.32 1s61 h VAL 28 N 0.91 1.12 -0.96 2.57 2.07 -0.76 -2.60 116.25 118.60 1s61 h VAL 28 Ca 0.26 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1s61 h VAL 28 Cb -0.08 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1s61 h VAL 28 CO -0.07 0.21 0.62 0.58 0.02 0.00 0.00 177.57 178.94 1s61 h VAL 29 N -0.55 1.03 -0.38 2.57 2.07 -0.74 0.19 116.25 120.44 1s61 h VAL 29 Ca -0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1s61 h VAL 29 Cb 0.45 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1s61 h VAL 29 CO 0.02 0.19 -0.22 -0.33 0.02 0.00 0.00 177.57 177.26 1s61 h GLU 30 N 1.06 0.81 -0.35 1.57 5.08 -1.31 -1.89 114.58 119.55 1s61 h GLU 30 Ca 0.43 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1s61 h GLU 30 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1s61 h GLU 30 CO -0.18 1.00 -0.25 0.22 -1.00 0.00 0.00 179.01 178.80 1s61 h ASP 31 N 0.61 0.72 -0.21 1.42 3.58 -1.03 -2.33 116.42 119.19 1s61 h ASP 31 Ca 0.08 -0.27 0.06 0.00 0.42 0.00 0.00 57.03 57.32 1s61 h ASP 31 Cb 0.78 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.56 1s61 h ASP 31 CO 0.06 0.95 -0.22 0.15 -2.88 0.00 0.00 179.24 177.30 1s61 h PHE 32 N 0.61 -0.57 0.00 0.28 3.57 -0.39 -1.97 116.94 118.48 1s61 h PHE 32 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1s61 h PHE 32 Cb 0.75 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1s61 h PHE 32 CO 0.04 -0.29 -0.54 1.88 -2.23 0.00 0.00 178.31 177.16 1s61 h TYR 33 N -0.23 0.00 -0.24 0.41 0.05 -1.25 -1.24 116.97 114.46 1s61 h TYR 33 Ca 0.13 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.96 1s61 h TYR 33 Cb 0.43 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 1s61 h TYR 33 CO -0.36 0.54 -0.07 0.28 -1.05 0.00 0.00 178.16 177.51 1s61 h VAL 34 N 0.00 0.74 -0.12 -2.88 2.07 -1.08 -2.51 116.25 112.47 1s61 h VAL 34 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s61 h VAL 34 Cb 1.13 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1s61 h VAL 34 CO 0.07 0.00 0.06 0.03 0.02 0.00 0.00 177.57 177.75 1s61 h ARG 35 N -0.01 0.17 -0.42 1.57 3.08 -0.84 -2.72 114.38 115.21 1s61 h ARG 35 Ca 0.12 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1s61 h ARG 35 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1s61 h ARG 35 CO -0.25 0.21 0.17 0.28 -1.07 0.00 0.00 179.97 179.31 1s61 h VAL 36 N 0.08 1.20 0.00 2.04 2.07 -1.23 -2.75 116.25 117.66 1s61 h VAL 36 Ca 0.04 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s61 h VAL 36 Cb 0.10 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1s61 h VAL 36 CO -0.01 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.98 1s61 n LEU 37 N -4.64 0.35 -0.50 2.57 4.77 -0.95 -1.23 117.00 117.37 1s61 n LEU 37 Ca 0.00 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1s61 n LEU 37 Cb 0.14 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1s61 n LEU 37 CO 0.37 -0.35 0.31 0.00 -1.33 0.00 0.00 177.39 176.39 1s61 n ALA 38 N -1.64 3.50 -2.74 -1.18 0.00 -1.04 -4.75 120.51 112.66 1s61 n ALA 38 Ca 0.03 -0.64 -0.44 0.00 0.00 0.00 0.00 53.44 52.40 1s61 n ALA 38 Cb 0.23 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.42 6.23 0.00 0.00 -1.08 -0.37 -4.93 116.67 114.11 1s61 s ASP 39 Ca 0.18 -0.85 0.06 0.00 -0.52 0.00 0.00 52.55 51.43 1s61 s ASP 39 Cb 0.18 -2.30 0.29 0.00 -1.46 0.00 0.00 42.92 39.63 1s61 s ASP 39 CO 0.55 -0.90 1.14 0.47 0.52 0.00 0.00 175.17 176.95 1s61 n ASP 40 N 6.24 0.00 0.06 -0.34 10.43 -1.26 -0.95 116.55 130.73 1s61 n ASP 40 Ca -0.06 0.37 0.13 0.00 2.57 0.00 0.00 54.79 57.80 1s61 n ASP 40 Cb 0.46 -0.41 0.48 0.00 1.84 0.00 0.00 41.12 43.49 1s61 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s61 n GLN 41 N -1.41 0.14 0.00 -1.24 6.02 -1.26 -4.21 117.38 115.42 1s61 n GLN 41 Ca 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1s61 n GLN 41 Cb 0.06 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 -1.93 0.00 -0.29 1.08 4.77 -0.27 -4.82 117.00 115.54 1s61 n LEU 42 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1s61 n LEU 42 Cb 0.35 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.68 1s61 n LEU 42 CO 0.27 0.00 0.65 -0.24 -1.33 0.00 0.00 177.39 176.74 1s61 n SER 43 N -1.41 -0.10 0.24 -1.43 2.88 -0.13 -1.16 113.62 112.51 1s61 n SER 43 Ca 0.00 1.40 0.13 0.00 -1.33 0.00 0.00 58.87 59.08 1s61 n SER 43 Cb 0.28 -0.51 0.38 0.00 -0.75 0.00 0.00 64.21 63.61 1s61 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s61 h ALA 44 N 1.65 0.98 -0.23 -1.46 0.00 -1.85 -2.15 119.26 116.20 1s61 h ALA 44 Ca 0.50 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1s61 h ALA 44 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1s61 h ALA 44 CO -0.78 0.05 0.17 0.74 0.00 0.00 0.00 179.25 179.43 1s61 h PHE 45 N 0.00 0.00 -0.57 0.00 0.04 -1.50 -2.25 116.94 112.66 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 0.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.97 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 -4.44 1.12 -0.24 -0.55 3.72 -0.81 -4.61 117.46 111.65 1s61 n PHE 46 Ca 0.03 -0.59 0.02 0.00 -0.05 0.00 0.00 57.45 56.85 1s61 n PHE 46 Cb 0.32 -0.16 0.14 0.00 -0.94 0.00 0.00 39.48 38.84 1s61 n PHE 46 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1s61 h SER 47 N 3.49 0.41 -0.74 4.37 0.87 -1.45 -2.18 113.55 118.32 1s61 h SER 47 Ca 0.00 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.42 1s61 h SER 47 Cb 1.21 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 63.05 1s61 h SER 47 CO 0.14 0.22 0.27 0.61 -0.53 0.00 0.00 176.83 177.54 1s61 n GLY 48 N -1.30 3.60 3.64 5.77 0.00 -1.26 -4.96 105.19 110.67 1s61 n GLY 48 Ca 0.11 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.95 4.32 -0.81 2.61 2.01 -0.82 -5.05 115.64 114.95 1s61 s THR 49 Ca 0.55 -0.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 1s61 s THR 49 Cb 0.44 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 70.13 1s61 s THR 49 CO 0.14 0.56 1.31 0.21 -0.69 0.00 0.00 174.62 176.15 1s61 s ASN 50 N -0.42 6.25 0.28 3.53 3.04 -1.26 -4.88 114.94 121.47 1s61 s ASN 50 Ca 0.08 -0.74 0.02 0.00 0.04 0.00 0.00 52.86 52.26 1s61 s ASN 50 Cb -0.12 -2.56 0.39 0.00 -1.54 0.00 0.00 41.25 37.43 1s61 s ASN 50 CO 0.02 -1.74 1.71 0.24 -3.04 0.00 0.00 177.10 174.30 1s61 h MET 51 N 9.95 0.49 -0.99 0.43 2.86 -1.96 -1.82 114.93 123.90 1s61 h MET 51 Ca -0.15 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1s61 h MET 51 Cb 1.04 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 1s61 h MET 51 CO 1.31 0.71 0.65 0.77 1.06 0.00 0.00 176.91 181.42 1s61 h SER 52 N 0.44 1.11 0.00 1.22 0.02 -2.00 -0.16 113.55 114.18 1s61 h SER 52 Ca 0.06 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1s61 h SER 52 Cb 0.68 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1s61 h SER 52 CO 0.05 0.79 -0.00 -0.09 -1.14 0.00 0.00 176.83 176.44 1s61 h ARG 53 N 1.30 -0.01 -0.81 3.45 2.43 -1.85 -2.82 114.38 116.07 1s61 h ARG 53 Ca 0.37 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.68 1s61 h ARG 53 Cb -0.09 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.37 1s61 h ARG 53 CO -0.10 0.36 0.41 1.25 -1.51 0.00 0.00 179.97 180.39 1s61 h LEU 54 N -0.38 0.50 -0.58 3.80 5.85 -0.89 -1.67 115.31 121.95 1s61 h LEU 54 Ca -0.00 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1s61 h LEU 54 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1s61 h LEU 54 CO 0.00 0.23 0.01 0.11 -0.34 0.00 0.00 178.44 178.45 1s61 h LYS 55 N 0.62 1.01 -0.89 1.25 1.57 -0.99 0.96 116.57 120.10 1s61 h LYS 55 Ca 0.43 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1s61 h LYS 55 Cb 0.57 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1s61 h LYS 55 CO -0.34 1.00 0.50 0.78 -0.57 0.00 0.00 179.45 180.82 1s61 h GLY 56 N 0.90 1.33 0.88 3.86 0.00 -1.09 -1.76 103.07 107.19 1s61 h GLY 56 Ca 0.16 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1s61 h GLY 56 CO 0.03 0.57 0.06 0.50 0.00 0.00 0.00 176.54 177.70 1s61 h LYS 57 N 1.25 0.43 -0.44 4.80 6.56 -0.83 -2.94 116.57 125.40 1s61 h LYS 57 Ca 0.32 -0.11 -0.11 0.00 -1.06 0.00 0.00 60.65 59.69 1s61 h LYS 57 Cb 0.01 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 1s61 h LYS 57 CO -0.05 0.53 -0.18 0.37 -2.06 0.00 0.00 179.45 178.06 1s61 h GLN 58 N 0.26 0.86 -0.65 3.15 5.75 -0.74 -0.42 115.11 123.31 1s61 h GLN 58 Ca 0.08 -0.33 0.09 0.00 -0.15 0.00 0.00 58.65 58.34 1s61 h GLN 58 Cb 0.29 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 1s61 h GLN 58 CO 0.00 0.97 0.29 0.28 -2.65 0.00 0.00 178.83 177.72 1s61 h VAL 59 N 0.75 0.82 -0.10 2.39 2.07 -1.32 0.60 116.25 121.47 1s61 h VAL 59 Ca 0.11 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1s61 h VAL 59 Cb 0.70 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1s61 h VAL 59 CO 0.05 0.09 -0.07 -0.33 0.02 0.00 0.00 177.57 177.34 1s61 h GLU 60 N 0.51 0.21 0.10 1.57 5.08 -1.28 -1.14 114.58 119.64 1s61 h GLU 60 Ca 0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1s61 h GLU 60 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1s61 h GLU 60 CO -0.27 0.60 -0.05 0.35 -1.00 0.00 0.00 179.01 178.64 1s61 h PHE 61 N -0.17 -0.13 -0.25 4.33 3.57 -0.98 -1.13 116.94 122.18 1s61 h PHE 61 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1s61 h PHE 61 Cb 0.55 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1s61 h PHE 61 CO 0.08 0.04 0.13 0.35 -2.23 0.00 0.00 178.31 176.68 1s61 h PHE 62 N -0.28 0.25 -0.80 0.41 3.57 -0.98 0.10 116.94 119.21 1s61 h PHE 62 Ca -0.01 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1s61 h PHE 62 Cb 0.23 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1s61 h PHE 62 CO -0.03 0.15 0.46 0.00 -2.23 0.00 0.00 178.31 176.66 1s61 h ALA 63 N 1.12 1.12 -0.17 2.41 0.00 -1.05 -2.12 119.26 120.56 1s61 h ALA 63 Ca 0.10 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1s61 h ALA 63 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1s61 h ALA 63 CO -0.06 0.13 -0.58 0.00 0.00 0.00 0.00 179.25 178.74 1s61 h ALA 64 N 1.42 0.67 0.00 0.00 0.00 -0.95 0.15 119.26 120.55 1s61 h ALA 64 Ca 0.37 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1s61 h ALA 64 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s61 h ALA 64 CO -0.22 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 1s61 h ALA 65 N 0.95 1.40 -0.48 0.00 0.00 -0.36 -1.94 119.26 118.83 1s61 h ALA 65 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s61 h ALA 65 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s61 h ALA 65 CO 0.11 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1s61 n LEU 66 N -3.84 3.40 0.00 0.00 4.77 -0.86 -4.92 117.00 115.55 1s61 n LEU 66 Ca -0.02 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 1s61 n LEU 66 Cb 0.24 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1s61 n LEU 66 CO 0.32 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1s61 n GLY 67 N 1.51 0.91 3.83 -0.72 0.00 -0.73 -0.83 105.19 109.16 1s61 n GLY 67 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.76 1.63 0.00 -0.02 0.00 0.51 -4.88 107.32 102.79 1s61 s GLY 68 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1s61 s GLY 68 CO 0.00 0.17 1.05 -1.55 0.00 0.00 0.00 173.10 172.77 1s61 n PRO 69 N -3.27 0.95 -2.55 2.90 -0.04 -1.26 -4.47 135.00 127.25 1s61 n PRO 69 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1s61 n PRO 69 Cb 0.56 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.93 1s61 n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s61 s GLU 70 N -2.00 4.67 0.42 0.54 8.01 -1.26 -5.03 118.70 124.06 1s61 s GLU 70 Ca 0.04 1.70 -0.22 0.00 0.01 0.00 0.00 54.97 56.50 1s61 s GLU 70 Cb 0.02 -3.17 -0.10 0.00 -4.31 0.00 0.00 34.13 26.57 1s61 s GLU 70 CO 0.03 0.28 0.99 -1.25 0.01 0.00 0.00 175.26 175.32 1s61 s PRO 71 N -1.44 4.15 -0.27 0.39 0.04 -1.26 -4.56 135.00 132.05 1s61 s PRO 71 Ca 0.44 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1s61 s PRO 71 Cb -0.30 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1s61 s PRO 71 CO 0.38 -0.12 0.05 -0.47 0.04 0.00 0.00 177.00 176.88 1s61 s TYR 72 N -1.94 3.09 -0.44 0.56 5.04 -1.26 -4.69 117.35 117.71 1s61 s TYR 72 Ca 0.61 -0.83 0.15 0.00 -2.44 0.00 0.00 57.07 54.56 1s61 s TYR 72 Cb -0.15 -2.22 0.51 0.00 0.35 0.00 0.00 41.96 40.45 1s61 s TYR 72 CO 0.19 -0.52 1.42 0.25 -1.34 0.00 0.00 175.55 175.56 1s61 n THR 73 N 4.87 1.97 -2.72 4.34 -2.24 -1.26 -5.00 114.28 114.24 1s61 n THR 73 Ca -0.16 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1s61 n THR 73 Cb 0.49 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.06 1.76 3.94 3.38 0.00 -1.26 -5.11 105.19 107.84 1s61 n GLY 74 Ca 0.20 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.11 3.60 0.39 4.61 0.00 -1.26 -5.04 121.76 121.95 1s61 s ALA 75 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1s61 s ALA 75 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 1s61 s ALA 75 CO 0.00 -0.50 1.42 -2.14 0.00 0.00 0.00 175.76 174.54 1s61 s PRO 76 N -4.69 4.02 0.22 0.00 0.02 -1.26 -4.88 135.00 128.42 1s61 s PRO 76 Ca 0.50 2.42 -0.08 0.00 0.02 0.00 0.00 61.00 63.86 1s61 s PRO 76 Cb -0.10 -2.87 0.28 0.00 0.02 0.00 0.00 34.50 31.82 1s61 s PRO 76 CO 0.40 -0.55 1.82 0.52 -0.33 0.00 0.00 177.00 178.86 1s61 h MET 77 N 2.84 0.73 -0.40 5.54 2.86 -1.96 -2.49 114.93 122.04 1s61 h MET 77 Ca -0.50 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.00 1s61 h MET 77 Cb 1.24 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1s61 h MET 77 CO 0.63 0.48 -0.12 -0.22 1.06 0.00 0.00 176.91 178.75 1s61 h LYS 78 N 0.75 0.72 -0.24 1.72 1.63 -1.92 -1.70 116.57 117.54 1s61 h LYS 78 Ca 0.33 -0.24 -0.13 0.00 -0.85 0.00 0.00 60.65 59.77 1s61 h LYS 78 Cb 0.21 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1s61 h LYS 78 CO -0.19 0.81 -0.34 1.96 -3.45 0.00 0.00 179.45 178.24 1s61 h GLN 79 N 0.65 0.66 -0.17 1.90 4.20 -1.80 -2.00 115.11 118.55 1s61 h GLN 79 Ca 0.11 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.45 1s61 h GLN 79 Cb 0.58 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1s61 h GLN 79 CO 0.04 1.00 0.09 0.28 -0.67 0.00 0.00 178.83 179.56 1s61 h VAL 80 N 0.37 1.00 0.00 -0.54 2.07 -1.29 -3.32 116.25 114.54 1s61 h VAL 80 Ca 0.03 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1s61 h VAL 80 Cb 0.92 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1s61 h VAL 80 CO 0.08 0.03 -1.51 1.41 0.02 0.00 0.00 177.57 177.60 1s61 n HIS 81 N -5.01 0.88 -1.71 1.57 8.25 -0.65 -4.84 115.22 113.70 1s61 n HIS 81 Ca -0.04 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.30 1s61 n HIS 81 Cb 0.05 -1.06 -0.01 0.00 1.12 0.00 0.00 29.99 30.09 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 -2.86 2.23 0.00 -0.41 7.27 -0.75 -2.10 117.38 120.76 1s61 n GLN 82 Ca -0.11 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1s61 n GLN 82 Cb 0.86 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 31.11 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 0.75 2.57 0.37 1.69 0.00 -1.26 -4.88 105.19 104.42 1s61 n GLY 83 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 1.51 -2.36 1.61 1.74 -0.89 -4.91 116.66 111.36 1s61 n ARG 84 Ca 0.00 -0.74 -0.10 0.00 -0.77 0.00 0.00 57.85 56.24 1s61 n ARG 84 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 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 1.13 0.04 3.65 -0.13 0.00 -1.26 -4.98 105.19 103.63 1s61 n GLY 85 Ca 0.20 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1s61 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s61 s ILE 86 N -2.62 4.95 0.41 -0.61 1.01 -1.26 -4.88 121.20 118.19 1s61 s ILE 86 Ca 0.06 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.11 1s61 s ILE 86 Cb -0.03 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1s61 s ILE 86 CO 0.07 0.04 0.56 0.42 0.00 0.00 0.00 174.94 176.03 1s61 s THR 87 N 2.29 3.33 0.37 2.92 -4.23 -1.26 0.14 115.64 119.20 1s61 s THR 87 Ca 0.31 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1s61 s THR 87 Cb -0.16 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.85 1s61 s THR 87 CO 0.10 -0.06 1.95 0.24 -0.54 0.00 0.00 174.62 176.31 1s61 h MET 88 N 0.66 0.66 -0.05 3.99 2.86 -1.97 0.20 114.93 121.28 1s61 h MET 88 Ca -0.42 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1s61 h MET 88 Cb 1.27 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 1s61 h MET 88 CO 0.48 0.44 -0.11 1.25 1.06 0.00 0.00 176.91 180.03 1s61 h HIS 89 N 0.68 -0.27 -0.41 -0.22 -0.00 -1.99 -0.91 115.15 112.03 1s61 h HIS 89 Ca 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1s61 h HIS 89 Cb 0.37 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1s61 h HIS 89 CO -0.00 -0.16 0.20 0.45 -0.00 0.00 0.00 177.93 178.42 1s61 h HIS 90 N -0.16 0.58 -0.92 5.26 -0.00 -1.50 -2.07 115.15 116.34 1s61 h HIS 90 Ca 0.06 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.49 1s61 h HIS 90 Cb 0.24 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.40 1s61 h HIS 90 CO -0.19 0.47 0.59 0.35 -0.00 0.00 0.00 177.93 179.15 1s61 h PHE 91 N 0.52 1.03 -0.07 2.45 3.57 -0.57 -1.36 116.94 122.51 1s61 h PHE 91 Ca 0.14 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 1s61 h PHE 91 Cb 0.10 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1s61 h PHE 91 CO -0.02 0.49 -0.69 0.77 -2.23 0.00 0.00 178.31 176.63 1s61 h SER 92 N 0.96 0.39 -0.37 0.41 0.02 -0.79 -0.84 113.55 113.33 1s61 h SER 92 Ca 0.42 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1s61 h SER 92 Cb 0.34 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1s61 h SER 92 CO -0.18 0.96 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.37 1s61 h LEU 93 N 0.23 0.67 -0.32 5.07 3.38 -0.65 -0.18 115.31 123.51 1s61 h LEU 93 Ca -0.02 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1s61 h LEU 93 Cb 1.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1s61 h LEU 93 CO 0.11 0.83 0.13 0.58 0.09 0.00 0.00 178.44 180.19 1s61 h VAL 94 N 0.48 0.94 -0.50 1.22 2.07 -1.19 -1.00 116.25 118.27 1s61 h VAL 94 Ca 0.10 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1s61 h VAL 94 Cb 0.51 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1s61 h VAL 94 CO 0.02 0.05 0.30 0.00 0.02 0.00 0.00 177.57 177.97 1s61 h ALA 95 N 1.19 1.59 -0.53 1.67 0.00 -0.90 -0.59 119.26 121.67 1s61 h ALA 95 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1s61 h ALA 95 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s61 h ALA 95 CO -0.12 0.36 0.03 0.78 0.00 0.00 0.00 179.25 180.30 1s61 h GLY 96 N 0.73 0.95 1.57 0.00 0.00 -0.36 0.38 103.07 106.33 1s61 h GLY 96 Ca 0.18 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1s61 h GLY 96 CO -0.03 0.58 -0.41 0.45 0.00 0.00 0.00 176.54 177.13 1s61 h HIS 97 N 0.82 0.57 0.06 5.60 3.86 -0.47 -1.60 115.15 124.00 1s61 h HIS 97 Ca 0.16 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1s61 h HIS 97 Cb 0.45 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1s61 h HIS 97 CO 0.03 0.81 -0.03 1.25 0.86 0.00 0.00 177.93 180.85 1s61 h LEU 98 N 0.40 -0.07 -1.62 2.43 6.46 -0.78 -1.58 115.31 120.54 1s61 h LEU 98 Ca 0.03 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1s61 h LEU 98 Cb 0.88 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1s61 h LEU 98 CO 0.07 0.03 0.28 0.00 -0.62 0.00 0.00 178.44 178.21 1s61 h ALA 99 N 0.76 1.78 -0.11 1.25 0.00 -0.82 -0.90 119.26 121.22 1s61 h ALA 99 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1s61 h ALA 99 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s61 h ALA 99 CO 0.01 0.18 -0.74 -0.44 0.00 0.00 0.00 179.25 178.26 1s61 h ASP 100 N 0.50 0.65 -0.30 0.00 3.32 -0.99 -1.46 116.42 118.13 1s61 h ASP 100 Ca 0.17 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 1s61 h ASP 100 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1s61 h ASP 100 CO -0.04 1.18 -0.15 0.00 -1.72 0.00 0.00 179.24 178.51 1s61 h ALA 101 N 0.80 0.97 -0.05 3.45 0.00 -0.71 0.63 119.26 124.36 1s61 h ALA 101 Ca -0.04 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1s61 h ALA 101 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1s61 h ALA 101 CO 0.14 0.60 -0.72 -0.07 0.00 0.00 0.00 179.25 179.21 1s61 h LEU 102 N 0.67 0.31 -0.04 0.00 3.38 -1.10 -2.28 115.31 116.25 1s61 h LEU 102 Ca 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1s61 h LEU 102 Cb 0.63 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1s61 h LEU 102 CO 0.04 0.93 0.01 0.74 0.09 0.00 0.00 178.44 180.26 1s61 h THR 103 N 0.18 1.14 -0.86 0.22 2.02 -0.98 -2.06 112.91 112.58 1s61 h THR 103 Ca -0.02 -0.43 0.14 0.00 0.77 0.00 0.00 66.41 66.87 1s61 h THR 103 Cb 1.27 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.98 1s61 h THR 103 CO 0.11 0.12 0.56 0.00 0.37 0.00 0.00 175.52 176.68 1s61 h ALA 104 N 0.84 1.89 0.00 6.16 0.00 -0.79 -0.70 119.26 126.66 1s61 h ALA 104 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s61 h ALA 104 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s61 h ALA 104 CO -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1s61 n ALA 105 N -2.45 2.39 -0.19 0.00 0.00 -0.87 -4.92 120.51 114.47 1s61 n ALA 105 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s61 n ALA 105 Cb 0.48 -1.45 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 0.90 3.69 0.00 0.00 -0.27 -5.06 105.19 105.50 1s61 n GLY 106 Ca 0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 4.83 0.22 1.61 1.01 -0.79 -4.99 120.40 120.29 1s61 s VAL 107 Ca 0.00 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1s61 s VAL 107 Cb 0.00 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 1s61 s VAL 107 CO 0.00 0.05 0.96 -2.65 0.00 0.00 0.00 175.10 173.46 1s61 n PRO 108 N 4.72 0.95 -0.27 2.72 -0.02 -1.26 -4.58 135.00 137.25 1s61 n PRO 108 Ca 0.07 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1s61 n PRO 108 Cb 0.49 -1.68 0.17 0.00 -0.02 0.00 0.00 33.50 32.47 1s61 n PRO 108 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1s61 h SER 109 N 2.28 -0.42 -0.35 2.55 0.02 -1.98 0.26 113.55 115.91 1s61 h SER 109 Ca -0.39 0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1s61 h SER 109 Cb 1.37 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 1s61 h SER 109 CO 0.63 -0.21 0.13 -0.33 -1.14 0.00 0.00 176.83 175.90 1s61 h GLU 110 N 0.08 0.61 -0.02 3.45 5.08 -1.99 -1.30 114.58 120.48 1s61 h GLU 110 Ca 0.44 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1s61 h GLU 110 Cb 0.77 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1s61 h GLU 110 CO -0.72 0.54 -0.74 1.15 -1.00 0.00 0.00 179.01 178.24 1s61 h THR 111 N 0.60 1.47 -0.41 1.13 2.02 -1.34 -1.86 112.91 114.53 1s61 h THR 111 Ca 0.14 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 64.91 1s61 h THR 111 Cb 0.19 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1s61 h THR 111 CO -0.01 0.69 0.13 0.40 0.37 0.00 0.00 175.52 177.10 1s61 h ILE 112 N 0.08 1.22 -0.95 3.11 2.04 -0.72 -0.80 117.51 121.49 1s61 h ILE 112 Ca -0.02 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1s61 h ILE 112 Cb 1.30 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 1s61 h ILE 112 CO 0.11 0.25 0.60 0.74 0.00 0.00 0.00 178.15 179.85 1s61 h THR 113 N 0.51 1.25 -0.57 -0.27 2.02 -1.08 0.86 112.91 115.63 1s61 h THR 113 Ca 0.13 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1s61 h THR 113 Cb 0.26 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1s61 h THR 113 CO -0.00 0.26 0.33 -0.08 0.37 0.00 0.00 175.52 176.39 1s61 h GLU 114 N 1.30 0.78 -0.29 6.66 4.81 -1.05 -1.18 114.58 125.62 1s61 h GLU 114 Ca 0.34 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1s61 h GLU 114 Cb -0.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1s61 h GLU 114 CO -0.07 0.58 0.09 0.82 -0.73 0.00 0.00 179.01 179.70 1s61 h ILE 115 N 0.77 1.20 -0.35 2.32 2.04 -0.23 -1.12 117.51 122.14 1s61 h ILE 115 Ca 0.20 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1s61 h ILE 115 Cb 0.01 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1s61 h ILE 115 CO -0.04 0.22 0.24 -0.07 0.00 0.00 0.00 178.15 178.50 1s61 h LEU 116 N 0.30 0.14 -1.66 1.44 3.38 -0.78 -0.21 115.31 117.93 1s61 h LEU 116 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1s61 h LEU 116 Cb 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1s61 h LEU 116 CO -0.00 0.09 -0.11 1.23 0.09 0.00 0.00 178.44 179.74 1s61 h GLY 117 N 0.16 0.00 1.49 0.83 0.00 0.07 -0.52 103.07 105.10 1s61 h GLY 117 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.26 1s61 h GLY 117 CO -0.02 0.00 -1.29 -2.08 0.00 0.00 0.00 176.54 173.15 1s61 h VAL 118 N 0.00 1.19 0.10 4.60 2.07 -0.64 -3.40 116.25 120.18 1s61 h VAL 118 Ca -0.00 -2.92 -0.36 0.00 0.82 0.00 0.00 66.70 64.24 1s61 h VAL 118 Cb 0.47 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1s61 h VAL 118 CO 0.01 0.68 -1.99 -0.38 0.02 0.00 0.00 177.57 175.91 1s61 n ILE 119 N -3.18 1.75 -0.15 4.57 2.08 -0.73 -4.40 119.36 119.30 1s61 n ILE 119 Ca -0.08 -0.67 -0.04 0.00 0.56 0.00 0.00 62.75 62.52 1s61 n ILE 119 Cb 0.96 -1.62 0.05 0.00 -0.75 0.00 0.00 39.64 38.28 1s61 n ILE 119 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1s61 h ALA 120 N 0.19 0.57 -1.18 -1.39 0.00 -1.31 0.26 119.26 116.39 1s61 h ALA 120 Ca -0.42 0.06 0.34 0.00 0.00 0.00 0.00 54.91 54.89 1s61 h ALA 120 Cb 2.03 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1s61 h ALA 120 CO 0.08 -0.22 0.82 -1.35 0.00 0.00 0.00 179.25 178.58 1s61 h PRO 121 N 0.34 0.11 0.00 0.00 0.11 -1.80 0.14 132.00 130.90 1s61 h PRO 121 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1s61 h PRO 121 Cb 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1s61 h PRO 121 CO -0.23 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 178.91 1s61 n LEU 122 N -4.32 0.54 0.08 2.35 4.77 0.91 -2.29 117.00 119.04 1s61 n LEU 122 Ca 0.27 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 57.03 1s61 n LEU 122 Cb 1.19 -0.70 0.54 0.00 -2.33 0.00 0.00 43.42 42.12 1s61 n LEU 122 CO 0.35 -0.75 1.14 0.00 -1.33 0.00 0.00 177.39 176.80 1s61 h ALA 123 N 2.12 1.95 -0.93 -1.18 0.00 -0.84 0.51 119.26 120.89 1s61 h ALA 123 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1s61 h ALA 123 Cb 0.15 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 1s61 h ALA 123 CO 0.00 0.01 0.49 0.28 0.00 0.00 0.00 179.25 180.03 1s61 h VAL 124 N 0.27 0.58 0.02 0.00 2.07 -1.67 -0.69 116.25 116.84 1s61 h VAL 124 Ca 0.13 -0.19 -0.28 0.00 0.82 0.00 0.00 66.70 67.18 1s61 h VAL 124 Cb 0.17 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1s61 h VAL 124 CO -0.03 0.10 -1.57 0.44 0.02 0.00 0.00 177.57 176.54 1s61 h ASP 125 N 0.55 0.07 0.11 0.57 5.19 -1.14 -3.39 116.42 118.39 1s61 h ASP 125 Ca 0.57 -0.12 -0.21 0.00 -0.62 0.00 0.00 57.03 56.65 1s61 h ASP 125 Cb 0.99 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.50 1s61 h ASP 125 CO -0.46 1.11 -0.87 0.58 -3.12 0.00 0.00 179.24 176.48 1s61 h VAL 126 N 0.01 1.44 -3.80 -1.35 2.07 -0.97 -3.38 116.25 110.28 1s61 h VAL 126 Ca -0.23 -2.42 -0.49 0.00 0.82 0.00 0.00 66.70 64.38 1s61 h VAL 126 Cb 1.97 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 34.70 1s61 h VAL 126 CO 0.10 0.70 0.15 0.42 0.02 0.00 0.00 177.57 178.96 1s61 s THR 127 N -2.71 4.66 -0.50 2.57 -4.23 -0.30 -4.50 115.64 110.62 1s61 s THR 127 Ca -0.13 0.94 -0.18 0.00 -1.18 0.00 0.00 61.69 61.15 1s61 s THR 127 Cb 0.02 -3.65 0.07 0.00 1.34 0.00 0.00 72.50 70.28 1s61 s THR 127 CO 0.85 -0.34 0.57 -0.44 -0.54 0.00 0.00 174.62 174.72 1s61 s SER 128 N -2.58 6.20 0.00 3.99 0.01 0.38 -4.94 113.70 116.76 1s61 s SER 128 Ca 0.55 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1s61 s SER 128 Cb -0.10 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1s61 s SER 128 CO 0.22 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.64