#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma h VAL 2 N 0.00 0.82 -0.00 -1.45 -1.51 -2.00 -3.16 116.25 108.95 3cma h VAL 2 Ca 0.00 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 3cma h VAL 2 Cb 0.00 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3cma h VAL 2 CO 0.00 0.45 -0.86 0.00 -1.23 0.00 0.00 177.57 175.92 3cma n TYR 3 N -3.27 0.00 -3.42 5.19 0.18 -1.26 -4.87 117.16 109.71 3cma n TYR 3 Ca 0.02 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.42 3cma n TYR 3 Cb 0.68 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.58 3cma n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3cma s VAL 4 N -2.85 5.24 -0.02 -3.48 1.01 -1.20 -4.89 120.40 114.22 3cma s VAL 4 Ca 0.10 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.85 3cma s VAL 4 Cb 0.16 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.86 3cma s VAL 4 CO 0.79 0.35 1.02 0.47 0.00 0.00 0.00 175.10 177.72 3cma n ASP 5 N 3.72 2.03 -3.60 3.32 8.00 -1.26 -4.74 116.55 124.02 3cma n ASP 5 Ca -0.09 -2.13 -0.06 0.00 0.71 0.00 0.00 54.79 53.21 3cma n ASP 5 Cb 0.52 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 3cma n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3cma s PHE 6 N -1.23 -0.20 -0.08 1.24 -0.12 -1.26 -5.12 117.98 111.21 3cma s PHE 6 Ca 0.04 0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 57.18 3cma s PHE 6 Cb 0.04 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3cma s PHE 6 CO 0.00 -0.20 0.12 0.34 -0.05 0.00 0.00 175.22 175.44 3cma s ASP 7 N -1.25 6.15 -0.16 1.98 2.15 -1.26 -5.00 116.67 119.29 3cma s ASP 7 Ca 0.04 0.36 -0.07 0.00 0.43 0.00 0.00 52.55 53.32 3cma s ASP 7 Cb -0.01 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.64 3cma s ASP 7 CO -0.04 0.36 0.07 -0.69 -0.17 0.00 0.00 175.17 174.71 3cma s VAL 8 N -1.09 4.92 0.24 1.11 1.01 -1.26 -5.07 120.40 120.25 3cma s VAL 8 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3cma s VAL 8 Cb -0.12 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3cma s VAL 8 CO 0.08 0.51 1.42 -2.84 0.00 0.00 0.00 175.10 174.27 3cma s PRO 9 N -0.04 4.28 0.33 2.72 0.02 -1.26 -4.83 135.00 136.22 3cma s PRO 9 Ca 0.07 2.26 0.12 0.00 0.02 0.00 0.00 61.00 63.47 3cma s PRO 9 Cb -0.12 -3.13 1.01 0.00 0.02 0.00 0.00 34.50 32.29 3cma s PRO 9 CO 0.01 -0.40 1.67 0.00 -0.33 0.00 0.00 177.00 177.95 3cma h ALA 10 N 5.18 1.85 -0.26 -1.55 0.00 -1.98 0.29 119.26 122.79 3cma h ALA 10 Ca -0.46 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3cma h ALA 10 Cb 1.22 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3cma h ALA 10 CO 0.78 -0.52 -0.10 -0.44 0.00 0.00 0.00 179.25 178.97 3cma h ASP 11 N 0.34 -0.34 -0.04 0.00 3.32 -1.99 0.66 116.42 118.37 3cma h ASP 11 Ca 0.70 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.84 3cma h ASP 11 Cb 1.54 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.29 3cma h ASP 11 CO -0.60 -0.13 0.01 0.25 -1.72 0.00 0.00 179.24 177.06 3cma h LEU 12 N -0.05 0.06 -1.44 1.55 6.46 -0.87 -2.09 115.31 118.93 3cma h LEU 12 Ca 0.13 -0.22 0.16 0.00 -0.12 0.00 0.00 57.88 57.83 3cma h LEU 12 Cb 0.25 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 3cma h LEU 12 CO -0.30 0.27 0.56 -0.08 -0.62 0.00 0.00 178.44 178.27 3cma h GLU 13 N -0.15 0.51 0.22 1.25 4.81 -0.60 0.15 114.58 120.76 3cma h GLU 13 Ca 0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3cma h GLU 13 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3cma h GLU 13 CO -0.00 0.34 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.07 3cma h ASP 14 N 0.52 -0.24 0.11 1.04 3.32 0.79 -1.09 116.42 120.87 3cma h ASP 14 Ca 0.43 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.36 3cma h ASP 14 Cb 0.89 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3cma h ASP 14 CO -0.17 -0.01 -0.18 0.44 -1.72 0.00 0.00 179.24 177.59 3cma h ASP 15 N -0.47 -0.50 -0.64 6.45 3.32 -0.49 -1.69 116.42 122.40 3cma h ASP 15 Ca -0.03 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.18 3cma h ASP 15 Cb 0.36 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 3cma h ASP 15 CO 0.05 -0.26 0.23 0.00 -1.72 0.00 0.00 179.24 177.54 3cma h ALA 16 N 0.47 0.83 -0.51 3.45 0.00 -0.75 0.27 119.26 123.03 3cma h ALA 16 Ca 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3cma h ALA 16 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3cma h ALA 16 CO -0.09 -0.20 0.20 -0.07 0.00 0.00 0.00 179.25 179.09 3cma h LEU 17 N 0.41 0.70 -0.37 0.00 3.38 -1.00 -0.77 115.31 117.66 3cma h LEU 17 Ca 0.33 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3cma h LEU 17 Cb 0.43 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3cma h LEU 17 CO -0.33 0.68 0.03 -0.33 0.09 0.00 0.00 178.44 178.59 3cma h GLU 18 N 0.68 0.14 0.16 1.13 5.08 -0.30 -1.15 114.58 120.32 3cma h GLU 18 Ca 0.17 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3cma h GLU 18 Cb 0.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3cma h GLU 18 CO -0.01 0.09 -0.38 0.00 -1.00 0.00 0.00 179.01 177.71 3cma h ALA 19 N 1.31 -0.69 -0.98 3.43 0.00 -0.53 -1.33 119.26 120.47 3cma h ALA 19 Ca 0.18 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.27 3cma h ALA 19 Cb 0.24 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3cma h ALA 19 CO -0.27 -0.95 0.67 1.25 0.00 0.00 0.00 179.25 179.95 3cma h LEU 20 N -0.64 0.28 -0.52 0.00 5.85 -0.57 0.41 115.31 120.12 3cma h LEU 20 Ca 0.02 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 3cma h LEU 20 Cb 0.65 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3cma h LEU 20 CO -0.20 0.08 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.40 3cma h GLU 21 N 0.26 0.94 0.00 1.25 5.08 -0.07 -2.73 114.58 119.31 3cma h GLU 21 Ca 0.51 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3cma h GLU 21 Cb 1.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3cma h GLU 21 CO -0.16 1.08 -0.09 1.33 -1.00 0.00 0.00 179.01 180.18 3cma n VAL 22 N -4.10 0.50 0.05 3.13 0.24 -0.02 -3.19 118.33 114.95 3cma n VAL 22 Ca -0.00 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 3cma n VAL 22 Cb 0.47 -0.51 -0.00 0.00 -1.47 0.00 0.00 33.84 32.33 3cma n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cma h ALA 23 N 2.57 0.50 -0.08 2.33 0.00 -0.84 -0.19 119.26 123.55 3cma h ALA 23 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 3cma h ALA 23 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3cma h ALA 23 CO 0.00 0.77 -0.79 0.07 0.00 0.00 0.00 179.25 179.30 3cma h ARG 24 N 0.28 0.50 -0.08 0.00 0.11 -1.48 -1.49 114.38 112.23 3cma h ARG 24 Ca -0.05 -0.44 -0.17 0.00 0.10 0.00 0.00 59.98 59.43 3cma h ARG 24 Cb 1.40 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.57 3cma h ARG 24 CO 0.14 1.07 -0.68 -0.44 0.10 0.00 0.00 179.97 180.16 3cma h ASP 25 N 0.33 0.40 0.00 0.08 3.32 -1.53 -3.42 116.42 115.60 3cma h ASP 25 Ca -0.05 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3cma h ASP 25 Cb 1.39 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3cma h ASP 25 CO 0.14 0.96 0.00 0.41 -1.72 0.00 0.00 179.24 179.04 3cma n THR 26 N -3.84 0.00 0.00 0.35 -1.04 -0.09 -5.04 114.28 104.62 3cma n THR 26 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3cma n THR 26 Cb 0.68 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3cma n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cma n GLY 27 N 3.74 -2.41 3.06 3.41 0.00 -0.58 -4.96 105.19 107.44 3cma n GLY 27 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3cma n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 28 N -2.39 -0.04 0.05 4.61 0.00 -0.80 -4.70 121.76 118.48 3cma s ALA 28 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 3cma s ALA 28 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3cma s ALA 28 CO 0.00 -0.23 -0.04 0.14 0.00 0.00 0.00 175.76 175.64 3cma s VAL 29 N -1.86 0.29 -0.16 0.00 -7.23 -1.26 -1.92 120.40 108.27 3cma s VAL 29 Ca -0.12 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 3cma s VAL 29 Cb -0.06 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 3cma s VAL 29 CO -0.02 -0.87 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.25 3cma s LYS 30 N -3.41 3.34 -0.17 4.82 -0.14 0.28 -4.83 119.74 119.63 3cma s LYS 30 Ca 0.03 -0.68 -0.04 0.00 -1.36 0.00 0.00 55.97 53.92 3cma s LYS 30 Cb 0.04 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.44 3cma s LYS 30 CO -0.07 0.06 -0.04 0.15 -0.76 0.00 0.00 175.35 174.69 3cma s LYS 31 N 0.75 3.60 0.00 1.68 1.02 -1.26 -1.17 119.74 124.36 3cma s LYS 31 Ca -0.05 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3cma s LYS 31 Cb -0.15 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 3cma s LYS 31 CO 0.01 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 3cma n GLY 32 N 3.86 2.91 0.29 -3.33 0.00 -1.00 -4.70 105.19 103.22 3cma n GLY 32 Ca -0.17 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 3cma n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cma h THR 33 N 0.00 1.08 0.40 2.61 2.02 -1.94 -1.07 112.91 116.01 3cma h THR 33 Ca 0.00 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3cma h THR 33 Cb 0.00 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3cma h THR 33 CO 0.00 0.16 -0.19 -1.13 0.37 0.00 0.00 175.52 174.73 3cma h ASN 34 N 0.90 -0.46 -0.92 4.18 -1.24 -1.93 0.17 115.58 116.28 3cma h ASN 34 Ca 0.31 -0.07 0.09 0.00 0.71 0.00 0.00 56.30 57.34 3cma h ASN 34 Cb 0.07 0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.17 3cma h ASN 34 CO -0.13 -0.20 0.59 -0.33 -1.29 0.00 0.00 177.43 176.08 3cma h GLU 35 N -0.72 0.91 -0.60 6.67 5.08 -1.82 0.76 114.58 124.87 3cma h GLU 35 Ca -0.06 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3cma h GLU 35 Cb 0.51 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3cma h GLU 35 CO 0.09 0.61 0.09 1.15 -1.00 0.00 0.00 179.01 179.95 3cma h THR 36 N 0.94 1.25 -0.10 1.13 2.02 -0.98 -2.91 112.91 114.26 3cma h THR 36 Ca 0.43 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3cma h THR 36 Cb 0.38 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3cma h THR 36 CO -0.19 0.36 0.03 0.74 0.37 0.00 0.00 175.52 176.84 3cma h THR 37 N 0.91 1.18 -0.06 3.16 2.02 0.12 -2.81 112.91 117.43 3cma h THR 37 Ca 0.18 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.85 3cma h THR 37 Cb 0.41 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3cma h THR 37 CO 0.01 0.15 0.05 0.11 0.37 0.00 0.00 175.52 176.22 3cma h LYS 38 N -0.03 0.00 0.32 6.66 1.57 -1.19 -1.11 116.57 122.78 3cma h LYS 38 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3cma h LYS 38 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3cma h LYS 38 CO -0.00 0.00 -0.15 0.77 -0.57 0.00 0.00 179.45 179.50 3cma h SER 39 N 0.00 -0.36 -0.75 0.86 0.02 -1.31 0.39 113.55 112.39 3cma h SER 39 Ca 0.03 -0.17 0.22 0.00 -0.84 0.00 0.00 61.79 61.03 3cma h SER 39 Cb 0.13 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3cma h SER 39 CO -0.00 0.09 0.57 0.40 -1.14 0.00 0.00 176.83 176.75 3cma h ILE 40 N -0.94 0.56 0.02 3.27 2.04 -1.23 1.52 117.51 122.74 3cma h ILE 40 Ca -0.04 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.64 3cma h ILE 40 Cb 0.51 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3cma h ILE 40 CO 0.07 0.00 -0.70 -0.33 0.00 0.00 0.00 178.15 177.20 3cma h GLU 41 N 0.00 0.44 -0.07 2.37 5.08 -0.93 -3.08 114.58 118.39 3cma h GLU 41 Ca 0.36 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3cma h GLU 41 Cb 1.49 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3cma h GLU 41 CO -0.00 1.15 0.00 0.54 -1.00 0.00 0.00 179.01 179.70 3cma n ARG 42 N -4.15 1.35 -1.56 2.33 1.74 0.14 -4.90 116.66 111.61 3cma n ARG 42 Ca -0.11 -0.52 -0.19 0.00 -0.77 0.00 0.00 57.85 56.26 3cma n ARG 42 Cb 0.72 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.71 3cma n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 43 N 0.98 1.83 1.90 -0.13 0.00 0.49 -4.85 105.19 105.40 3cma n GLY 43 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 3cma n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cma n SER 44 N -1.22 4.15 -4.10 1.61 3.41 -0.71 -4.90 113.62 111.86 3cma n SER 44 Ca -0.19 -3.17 -0.23 0.00 -0.26 0.00 0.00 58.87 55.02 3cma n SER 44 Cb 0.64 -0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 3cma n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cma s ALA 45 N -2.37 1.26 -0.25 7.33 0.00 -1.26 -4.43 121.76 122.04 3cma s ALA 45 Ca 0.41 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3cma s ALA 45 Cb 0.34 -0.38 -0.17 0.00 0.00 0.00 0.00 23.12 22.91 3cma s ALA 45 CO 0.06 0.26 -0.17 0.39 0.00 0.00 0.00 175.76 176.30 3cma n GLU 46 N 2.96 0.65 -3.73 0.00 1.02 -1.09 -4.79 120.64 115.66 3cma n GLU 46 Ca -0.16 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3cma n GLU 46 Cb 0.54 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.28 3cma n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3cma s LEU 47 N -6.83 0.52 0.02 -4.62 2.96 -1.23 -3.82 118.68 105.69 3cma s LEU 47 Ca -0.34 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3cma s LEU 47 Cb 0.10 0.49 -0.03 0.00 0.50 0.00 0.00 46.19 47.25 3cma s LEU 47 CO 0.60 -0.16 -0.18 0.68 -1.32 0.00 0.00 176.35 175.96 3cma s VAL 48 N 1.33 2.78 -0.04 1.68 -7.23 -0.60 0.54 120.40 118.85 3cma s VAL 48 Ca -0.08 -1.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.97 3cma s VAL 48 Cb -0.11 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 3cma s VAL 48 CO -0.07 0.39 0.01 -0.36 -0.31 0.00 0.00 175.10 174.76 3cma s PHE 49 N -0.88 3.15 -0.17 2.82 0.40 0.64 -1.34 117.98 122.60 3cma s PHE 49 Ca 0.14 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 3cma s PHE 49 Cb -0.10 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.74 3cma s PHE 49 CO 0.04 0.48 0.04 0.08 0.70 0.00 0.00 175.22 176.56 3cma s VAL 50 N -1.00 0.39 0.67 -0.44 1.01 -0.80 -0.82 120.40 119.41 3cma s VAL 50 Ca 0.17 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3cma s VAL 50 Cb -0.11 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3cma s VAL 50 CO 0.07 -0.13 1.16 0.00 0.00 0.00 0.00 175.10 176.20 3cma s ALA 51 N 1.93 2.36 -0.13 5.51 0.00 0.33 -1.94 121.76 129.82 3cma s ALA 51 Ca 0.01 0.76 0.19 0.00 0.00 0.00 0.00 51.96 52.92 3cma s ALA 51 Cb -0.16 -3.40 -0.26 0.00 0.00 0.00 0.00 23.12 19.30 3cma s ALA 51 CO -0.08 -1.46 0.34 0.39 0.00 0.00 0.00 175.76 174.96 3cma n GLU 52 N -2.34 0.67 -1.99 0.00 1.02 -0.93 -4.52 120.64 112.56 3cma n GLU 52 Ca 0.12 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 3cma n GLU 52 Cb 0.51 -1.57 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3cma n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cma n ASP 53 N -2.61 7.91 -4.54 1.62 5.75 -1.26 -4.52 116.55 118.90 3cma n ASP 53 Ca -0.19 -3.12 -0.34 0.00 -0.01 0.00 0.00 54.79 51.13 3cma n ASP 53 Cb 0.90 -1.38 -0.12 0.00 -1.03 0.00 0.00 41.12 39.50 3cma n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cma s VAL 54 N -0.93 3.88 -0.09 2.12 1.01 -1.26 -4.77 120.40 120.37 3cma s VAL 54 Ca 0.54 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3cma s VAL 54 Cb 0.18 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3cma s VAL 54 CO -0.09 0.53 0.17 -1.58 0.00 0.00 0.00 175.10 174.13 3cma s GLN 55 N -0.04 0.04 0.36 2.72 -0.44 -1.26 -3.49 119.66 117.55 3cma s GLN 55 Ca 0.01 0.57 -0.26 0.00 -2.50 0.00 0.00 55.36 53.18 3cma s GLN 55 Cb -0.13 -0.28 -0.09 0.00 -1.64 0.00 0.00 33.01 30.87 3cma s GLN 55 CO 0.03 -0.31 1.08 -1.25 0.50 0.00 0.00 175.29 175.33 3cma s PRO 56 N 2.30 4.28 0.46 1.67 0.04 -1.26 -5.07 135.00 137.43 3cma s PRO 56 Ca 0.03 1.64 0.31 0.00 0.04 0.00 0.00 61.00 63.02 3cma s PRO 56 Cb -0.12 -2.75 1.69 0.00 0.04 0.00 0.00 34.50 33.36 3cma s PRO 56 CO -0.06 -0.06 1.95 0.93 0.04 0.00 0.00 177.00 179.80 3cma h GLU 57 N 2.89 0.00 -0.59 4.56 5.08 -1.99 -2.89 114.58 121.64 3cma h GLU 57 Ca -0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 57.99 3cma h GLU 57 Cb 1.22 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 3cma h GLU 57 CO 0.64 0.00 0.10 0.93 -1.00 0.00 0.00 179.01 179.68 3cma h GLU 58 N 0.00 0.22 -1.16 2.33 3.07 -1.97 -1.46 114.58 115.60 3cma h GLU 58 Ca 0.00 -0.01 0.34 0.00 -0.50 0.00 0.00 59.36 59.18 3cma h GLU 58 Cb 0.01 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.82 3cma h GLU 58 CO 0.00 0.15 0.99 0.82 -1.40 0.00 0.00 179.01 179.57 3cma h ILE 59 N 0.23 0.21 0.00 3.13 2.04 -1.92 -2.94 117.51 118.25 3cma h ILE 59 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3cma h ILE 59 Cb 0.47 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3cma h ILE 59 CO -0.42 0.00 -0.51 0.52 0.00 0.00 0.00 178.15 177.74 3cma n VAL 60 N -3.79 0.00 -0.34 1.67 0.31 -0.79 -4.82 118.33 110.58 3cma n VAL 60 Ca 0.25 -0.14 0.31 0.00 -0.01 0.00 0.00 64.34 64.75 3cma n VAL 60 Cb 1.36 0.62 0.56 0.00 -0.91 0.00 0.00 33.84 35.47 3cma n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3cma n MET 61 N -1.06 -0.05 0.13 5.55 2.81 -0.62 -0.99 117.12 122.90 3cma n MET 61 Ca 0.00 1.19 -0.02 0.00 -1.81 0.00 0.00 57.70 57.07 3cma n MET 61 Cb 0.00 -2.22 0.14 0.00 -0.71 0.00 0.00 33.22 30.44 3cma n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 3cma h HIS 62 N 0.00 0.00 -0.62 2.03 2.07 -1.88 -3.36 115.15 113.39 3cma h HIS 62 Ca 0.77 -0.00 0.07 0.00 -2.85 0.00 0.00 60.37 58.36 3cma h HIS 62 Cb 2.20 -0.00 -0.10 0.00 2.57 0.00 0.00 27.41 32.08 3cma h HIS 62 CO -0.01 0.65 -0.53 0.82 -3.07 0.00 0.00 177.93 175.80 3cma h ILE 63 N 0.00 0.02 -0.01 6.12 1.08 -1.42 -1.68 117.51 121.62 3cma h ILE 63 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3cma h ILE 63 Cb 1.15 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3cma h ILE 63 CO 0.08 0.00 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.88 3cma h PRO 64 N -0.24 -0.01 -0.87 2.37 0.11 -1.76 0.05 132.00 131.65 3cma h PRO 64 Ca 0.13 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.27 3cma h PRO 64 Cb 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 3cma h PRO 64 CO -0.72 -0.00 0.57 1.49 -0.21 0.00 0.00 178.00 179.12 3cma h GLU 65 N -0.01 1.08 -0.32 1.05 4.81 -1.78 -1.40 114.58 118.01 3cma h GLU 65 Ca 0.00 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3cma h GLU 65 Cb 0.01 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.10 3cma h GLU 65 CO -0.01 0.71 0.01 1.25 -0.73 0.00 0.00 179.01 180.23 3cma h LEU 66 N 1.11 -0.11 -0.33 1.64 5.85 -1.07 -1.45 115.31 120.94 3cma h LEU 66 Ca 0.35 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.15 3cma h LEU 66 Cb -0.01 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3cma h LEU 66 CO -0.11 -0.02 0.19 0.00 -0.34 0.00 0.00 178.44 178.15 3cma h ALA 67 N 1.27 0.41 -0.50 1.25 0.00 -0.43 -2.56 119.26 118.70 3cma h ALA 67 Ca 0.15 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3cma h ALA 67 Cb 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3cma h ALA 67 CO -0.25 -0.17 0.02 -0.44 0.00 0.00 0.00 179.25 178.40 3cma h ASP 68 N 0.38 -0.18 -0.18 0.00 3.32 -0.51 0.18 116.42 119.43 3cma h ASP 68 Ca 0.13 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 3cma h ASP 68 Cb 0.01 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3cma h ASP 68 CO -0.07 -0.06 0.15 -1.84 -1.72 0.00 0.00 179.24 175.70 3cma n GLU 69 N -5.21 1.32 0.00 3.56 0.28 -0.62 -2.48 120.64 117.48 3cma n GLU 69 Ca 0.06 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 3cma n GLU 69 Cb 0.27 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.89 3cma n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3cma n LYS 70 N 1.10 0.00 0.00 3.44 4.76 -0.07 -5.00 118.16 122.39 3cma n LYS 70 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3cma n LYS 70 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 3cma n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cma n GLY 71 N 0.00 0.72 3.68 0.72 0.00 -0.48 -4.91 105.19 104.91 3cma n GLY 71 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3cma n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cma n VAL 72 N -1.29 0.49 -2.51 1.61 0.31 -1.11 -4.94 118.33 110.89 3cma n VAL 72 Ca 0.00 -0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 63.91 3cma n VAL 72 Cb 0.00 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 30.97 3cma n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3cma s PRO 73 N 3.43 3.92 0.04 5.55 0.02 -1.25 -4.38 135.00 142.33 3cma s PRO 73 Ca 0.88 1.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 3cma s PRO 73 Cb -0.62 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 3cma s PRO 73 CO 0.46 -0.30 0.01 -0.59 -0.33 0.00 0.00 177.00 176.24 3cma s PHE 74 N -2.33 0.35 0.00 6.54 -0.12 -1.26 -1.56 117.98 119.60 3cma s PHE 74 Ca 0.62 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3cma s PHE 74 Cb -0.12 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 3cma s PHE 74 CO 0.24 -0.32 -0.00 -1.50 -0.05 0.00 0.00 175.22 173.59 3cma s ILE 75 N -2.80 0.03 0.27 -4.49 2.07 -0.45 -4.94 121.20 110.89 3cma s ILE 75 Ca -0.03 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 58.77 3cma s ILE 75 Cb -0.00 -0.10 -0.08 0.00 0.13 0.00 0.00 42.46 42.41 3cma s ILE 75 CO -0.06 -0.15 0.71 -0.36 -1.91 0.00 0.00 174.94 173.18 3cma s PHE 76 N -0.44 3.50 0.06 3.50 2.99 -1.26 -1.90 117.98 124.43 3cma s PHE 76 Ca -0.05 1.27 0.00 0.00 0.00 0.00 0.00 56.93 58.15 3cma s PHE 76 Cb -0.03 -2.55 0.00 0.00 0.00 0.00 0.00 43.02 40.44 3cma s PHE 76 CO -0.00 0.22 0.00 0.28 -0.00 0.00 0.00 175.22 175.71 3cma n VAL 77 N 0.15 0.33 0.00 -0.44 0.31 -0.82 -4.87 118.33 112.98 3cma n VAL 77 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3cma n VAL 77 Cb 0.52 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3cma n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3cma n GLU 78 N -3.09 0.00 -3.20 5.55 2.13 -1.26 -2.18 120.64 118.59 3cma n GLU 78 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 3cma n GLU 78 Cb 0.22 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.93 3cma n GLU 78 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3cma n GLN 79 N 0.00 0.93 -0.12 5.31 6.02 -1.26 -4.14 117.38 124.13 3cma n GLN 79 Ca 0.00 -2.44 -0.16 0.00 -0.01 0.00 0.00 57.00 54.39 3cma n GLN 79 Cb 0.00 0.29 -0.12 0.00 1.02 0.00 0.00 30.24 31.44 3cma n GLN 79 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3cma n GLN 80 N -1.37 0.64 0.19 -1.09 7.27 -1.26 -4.35 117.38 117.42 3cma n GLN 80 Ca -0.03 0.12 0.05 0.00 0.07 0.00 0.00 57.00 57.22 3cma n GLN 80 Cb 0.44 -1.49 0.39 0.00 2.41 0.00 0.00 30.24 31.99 3cma n GLN 80 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3cma h ASP 81 N 0.00 0.00 -0.05 1.69 3.32 -1.91 -2.61 116.42 116.86 3cma h ASP 81 Ca -0.55 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 3cma h ASP 81 Cb 1.89 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 3cma h ASP 81 CO -0.07 0.36 -0.08 0.44 -1.72 0.00 0.00 179.24 178.17 3cma h ASP 82 N 0.00 0.16 -0.69 6.45 3.32 -1.93 -0.88 116.42 122.85 3cma h ASP 82 Ca -0.00 -0.54 0.08 0.00 0.02 0.00 0.00 57.03 56.58 3cma h ASP 82 Cb 0.75 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 3cma h ASP 82 CO 0.05 0.67 0.46 0.25 -1.72 0.00 0.00 179.24 178.94 3cma h LEU 83 N -0.35 0.58 -0.39 1.55 5.85 -1.74 1.08 115.31 121.89 3cma h LEU 83 Ca 0.00 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 3cma h LEU 83 Cb 0.64 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3cma h LEU 83 CO 0.02 0.36 -0.65 1.23 -0.34 0.00 0.00 178.44 179.07 3cma h GLY 84 N 0.65 0.66 0.72 3.75 0.00 -1.38 0.59 103.07 108.07 3cma h GLY 84 Ca 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3cma h GLY 84 CO -0.10 0.75 -0.07 0.84 0.00 0.00 0.00 176.54 177.96 3cma h HIS 85 N 0.44 0.31 -0.28 5.60 -0.00 0.47 1.11 115.15 122.80 3cma h HIS 85 Ca -0.01 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3cma h HIS 85 Cb 1.22 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 3cma h HIS 85 CO 0.06 0.62 0.04 0.00 -0.00 0.00 0.00 177.93 178.65 3cma h ALA 86 N 0.65 0.28 0.00 5.26 0.00 0.12 0.32 119.26 125.88 3cma h ALA 86 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cma h ALA 86 Cb 0.54 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3cma h ALA 86 CO 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3cma n ALA 87 N -2.36 1.60 -1.62 0.00 0.00 0.19 -4.31 120.51 114.01 3cma n ALA 87 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cma n ALA 87 Cb 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3cma n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 88 N -0.73 0.69 3.74 0.00 0.00 0.11 -4.97 105.19 104.03 3cma n GLY 88 Ca 0.03 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 3cma n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cma s LEU 89 N -0.02 3.61 0.00 0.99 1.43 0.38 -4.98 118.68 120.09 3cma s LEU 89 Ca 0.00 -0.20 0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3cma s LEU 89 Cb 0.00 -2.26 0.46 0.00 0.03 0.00 0.00 46.19 44.43 3cma s LEU 89 CO 0.00 0.10 1.36 1.21 0.23 0.00 0.00 176.35 179.25 3cma n GLU 90 N -0.06 1.84 -3.65 1.70 2.13 -1.26 -3.99 120.64 117.35 3cma n GLU 90 Ca -0.09 -1.29 -0.15 0.00 0.66 0.00 0.00 57.16 56.29 3cma n GLU 90 Cb 0.54 -1.33 -0.06 0.00 0.27 0.00 0.00 31.44 30.87 3cma n GLU 90 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3cma n VAL 91 N 0.53 0.00 -2.42 6.31 0.31 -1.26 -5.09 118.33 116.71 3cma n VAL 91 Ca 0.14 -1.78 -0.24 0.00 -0.01 0.00 0.00 64.34 62.44 3cma n VAL 91 Cb 0.33 0.86 0.09 0.00 -0.91 0.00 0.00 33.84 34.21 3cma n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cma s GLY 92 N -2.73 1.76 -0.20 2.92 0.00 -1.26 -4.01 107.32 103.80 3cma s GLY 92 Ca 0.28 -1.38 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 3cma s GLY 92 CO 0.19 -0.89 0.33 -0.45 0.00 0.00 0.00 173.10 172.29 3cma s SER 93 N -4.64 0.40 0.29 1.64 0.15 -1.01 -4.75 113.70 105.78 3cma s SER 93 Ca 0.64 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3cma s SER 93 Cb -0.07 0.92 0.51 0.00 -1.71 0.00 0.00 66.02 65.66 3cma s SER 93 CO 0.44 -0.28 1.89 0.00 1.20 0.00 0.00 173.24 176.50 3cma h ALA 94 N 8.23 1.49 -2.47 5.45 0.00 -1.96 -3.41 119.26 126.59 3cma h ALA 94 Ca -0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3cma h ALA 94 Cb 1.14 -0.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.47 3cma h ALA 94 CO 0.22 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 3cma s ALA 95 N -5.94 -0.91 0.05 0.00 0.00 -1.26 -0.51 121.76 113.19 3cma s ALA 95 Ca -0.12 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 3cma s ALA 95 Cb 0.20 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 3cma s ALA 95 CO 0.80 -0.35 0.00 0.00 0.00 0.00 0.00 175.76 176.22 3cma s ALA 96 N -1.82 0.36 -0.05 0.00 0.00 0.00 -2.37 121.76 117.88 3cma s ALA 96 Ca -0.10 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 3cma s ALA 96 Cb -0.03 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.41 3cma s ALA 96 CO 0.02 -0.37 0.11 0.00 0.00 0.00 0.00 175.76 175.52 3cma s ALA 97 N -3.65 -0.13 -0.88 0.00 0.00 -0.31 0.23 121.76 117.02 3cma s ALA 97 Ca 0.04 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 3cma s ALA 97 Cb 0.06 -0.47 0.08 0.00 0.00 0.00 0.00 23.12 22.79 3cma s ALA 97 CO -0.09 -0.23 1.23 0.08 0.00 0.00 0.00 175.76 176.75 3cma s VAL 98 N 1.39 4.24 -0.72 0.00 1.01 0.19 0.98 120.40 127.49 3cma s VAL 98 Ca -0.06 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 3cma s VAL 98 Cb -0.12 -4.88 0.05 0.00 0.00 0.00 0.00 36.38 31.43 3cma s VAL 98 CO -0.05 -1.69 1.17 0.28 0.00 0.00 0.00 175.10 174.80 3cma s THR 99 N 4.14 3.96 -0.21 3.92 -1.32 -0.81 -2.65 115.64 122.67 3cma s THR 99 Ca 0.36 0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.84 3cma s THR 99 Cb -0.06 -4.84 0.03 0.00 -1.51 0.00 0.00 72.50 66.12 3cma s THR 99 CO -0.03 -1.71 0.14 0.47 -2.21 0.00 0.00 174.62 171.28 3cma n ASP 100 N 8.72 -3.09 -1.26 8.08 9.92 -1.26 -3.44 116.55 134.22 3cma n ASP 100 Ca 0.01 1.22 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 3cma n ASP 100 Cb 0.48 -4.81 0.00 0.00 -0.64 0.00 0.00 41.12 36.15 3cma n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cma n ALA 101 N 1.17 0.00 0.00 2.24 0.00 -1.26 -1.91 120.51 120.75 3cma n ALA 101 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3cma n ALA 101 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3cma n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 102 N 0.00 1.27 3.65 0.00 0.00 -1.26 -2.93 105.19 105.92 3cma n GLY 102 Ca 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 3cma n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 103 N 0.00 -5.59 0.00 1.61 1.02 -1.26 -4.39 120.64 112.03 3cma n GLU 103 Ca 0.00 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3cma n GLU 103 Cb 0.00 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.00 3cma n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cma n ALA 104 N -4.33 0.00 -0.34 0.62 0.00 -1.26 -4.94 120.51 110.27 3cma n ALA 104 Ca -0.24 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.38 3cma n ALA 104 Cb 0.65 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.45 3cma n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cma h ASP 105 N 0.00 -0.36 -0.06 0.00 3.32 -1.94 0.41 116.42 117.80 3cma h ASP 105 Ca 0.00 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3cma h ASP 105 Cb 0.00 0.46 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 3cma h ASP 105 CO 0.00 -0.38 -0.39 0.00 -1.72 0.00 0.00 179.24 176.75 3cma h ALA 106 N 2.00 -0.57 0.01 3.45 0.00 -1.99 0.21 119.26 122.37 3cma h ALA 106 Ca 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 3cma h ALA 106 Cb 1.42 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.92 3cma h ALA 106 CO -0.91 -0.90 -0.01 -0.44 0.00 0.00 0.00 179.25 176.99 3cma h ASP 107 N -0.51 -0.01 -0.75 0.00 3.32 -0.73 -2.84 116.42 114.90 3cma h ASP 107 Ca 0.07 -0.20 0.15 0.00 0.02 0.00 0.00 57.03 57.06 3cma h ASP 107 Cb 0.62 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.07 3cma h ASP 107 CO -0.34 0.20 0.28 0.58 -1.72 0.00 0.00 179.24 178.23 3cma h VAL 108 N -0.22 0.63 -0.49 -1.35 2.07 -0.54 0.64 116.25 116.99 3cma h VAL 108 Ca -0.00 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3cma h VAL 108 Cb 0.22 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 3cma h VAL 108 CO 0.00 0.07 -0.00 -0.08 0.02 0.00 0.00 177.57 177.59 3cma h GLU 109 N 0.41 0.11 -0.37 1.57 4.81 -0.36 -1.85 114.58 118.89 3cma h GLU 109 Ca 0.42 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3cma h GLU 109 Cb 0.65 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3cma h GLU 109 CO -0.42 0.07 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.48 3cma h ASP 110 N 0.11 0.66 -0.67 1.04 3.32 -0.73 -2.41 116.42 117.75 3cma h ASP 110 Ca 0.25 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 57.08 3cma h ASP 110 Cb 0.37 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 3cma h ASP 110 CO -0.41 0.81 0.28 0.40 -1.72 0.00 0.00 179.24 178.61 3cma h ILE 111 N 0.48 0.78 -0.68 0.35 2.04 -0.60 1.42 117.51 121.30 3cma h ILE 111 Ca 0.10 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3cma h ILE 111 Cb 0.49 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3cma h ILE 111 CO 0.02 0.09 0.43 0.00 0.00 0.00 0.00 178.15 178.69 3cma h ALA 112 N 1.44 0.87 0.11 1.87 0.00 -1.21 -0.62 119.26 121.73 3cma h ALA 112 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3cma h ALA 112 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cma h ALA 112 CO -0.31 0.22 -0.05 -0.44 0.00 0.00 0.00 179.25 178.67 3cma h ASP 113 N 0.85 -0.12 -0.68 0.00 3.32 -0.20 -2.01 116.42 117.58 3cma h ASP 113 Ca 0.26 -0.27 0.13 0.00 0.02 0.00 0.00 57.03 57.17 3cma h ASP 113 Cb -0.02 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 3cma h ASP 113 CO -0.09 0.21 0.21 0.11 -1.72 0.00 0.00 179.24 177.97 3cma h LYS 114 N -0.47 0.34 -0.25 3.56 1.57 0.20 -0.80 116.57 120.73 3cma h LYS 114 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3cma h LYS 114 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3cma h LYS 114 CO 0.02 0.22 0.13 0.28 -0.57 0.00 0.00 179.45 179.54 3cma h VAL 115 N 0.35 1.12 -0.85 0.50 2.07 -1.07 -0.72 116.25 117.64 3cma h VAL 115 Ca 0.37 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.76 3cma h VAL 115 Cb 0.55 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.09 3cma h VAL 115 CO -0.41 0.12 0.36 -0.33 0.02 0.00 0.00 177.57 177.33 3cma h GLU 116 N 0.28 0.42 -0.64 1.57 4.39 -0.41 0.50 114.58 120.70 3cma h GLU 116 Ca 0.09 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3cma h GLU 116 Cb 0.07 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3cma h GLU 116 CO -0.01 0.28 0.10 0.93 -1.16 0.00 0.00 179.01 179.15 3cma h GLU 117 N 0.43 1.06 0.00 2.33 5.08 -0.70 -1.49 114.58 121.29 3cma h GLU 117 Ca 0.50 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3cma h GLU 117 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3cma h GLU 117 CO -0.48 0.98 0.00 -0.11 -1.00 0.00 0.00 179.01 178.40 3cma n LEU 118 N -4.25 0.00 0.00 1.33 7.94 0.17 -5.12 117.00 117.06 3cma n LEU 118 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 3cma n LEU 118 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3cma n LEU 118 CO 0.43 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.57