#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ARG 2 N 0.00 3.37 -3.48 0.00 1.74 -1.26 -5.15 116.66 111.89 3i1t n ARG 2 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3i1t n ARG 2 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3i1t n ARG 2 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1t s VAL 3 N 3.33 0.00 0.00 1.55 0.11 -1.26 -5.12 120.40 119.01 3i1t s VAL 3 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3i1t s VAL 3 Cb 0.00 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 3i1t s VAL 3 CO 0.00 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.94 3i1t n LYS 4 N -0.36 0.00 -1.50 1.54 4.81 -1.26 -5.07 118.16 116.33 3i1t n LYS 4 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 3i1t n LYS 4 Cb 0.64 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.49 3i1t n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i1t n ARG 5 N -0.81 0.00 0.00 1.64 1.74 -1.26 -5.03 116.66 112.94 3i1t n ARG 5 Ca 0.00 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3i1t n ARG 5 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3i1t n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1t n GLY 6 N -1.07 -1.39 0.09 -0.13 0.00 -1.26 -4.70 105.19 96.72 3i1t n GLY 6 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3i1t n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1t n VAL 7 N -0.66 0.00 -2.71 1.61 0.24 -1.26 0.69 118.33 116.23 3i1t n VAL 7 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 3i1t n VAL 7 Cb 0.00 -0.22 0.04 0.00 -1.47 0.00 0.00 33.84 32.19 3i1t n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1t n ILE 8 N -0.37 0.81 0.00 1.34 3.06 -1.26 -4.82 119.36 118.11 3i1t n ILE 8 Ca 0.00 -2.21 0.00 0.00 -2.50 0.00 0.00 62.75 58.04 3i1t n ILE 8 Cb 0.03 1.19 0.00 0.00 0.54 0.00 0.00 39.64 41.40 3i1t n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i1t n ALA 9 N -0.26 0.50 0.00 1.51 0.00 0.22 -4.70 120.51 117.78 3i1t n ALA 9 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i1t n ALA 9 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3i1t n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i1t n ARG 10 N 0.00 0.00 0.02 0.00 1.85 -0.87 -1.21 116.66 116.45 3i1t n ARG 10 Ca 0.00 0.16 -0.01 0.00 -1.00 0.00 0.00 57.85 57.00 3i1t n ARG 10 Cb 0.00 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 29.88 3i1t n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1t h ALA 11 N 1.76 -0.87 -0.76 2.89 0.00 -1.88 0.96 119.26 121.37 3i1t h ALA 11 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i1t h ALA 11 Cb 0.04 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3i1t h ALA 11 CO 0.00 -0.86 0.48 0.07 0.00 0.00 0.00 179.25 178.94 3i1t h ARG 12 N -0.07 0.91 -0.78 0.00 -0.00 -1.50 -1.99 114.38 110.96 3i1t h ARG 12 Ca -0.01 -0.05 0.13 0.00 -0.00 0.00 0.00 59.98 60.05 3i1t h ARG 12 Cb 0.06 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.97 29.73 3i1t h ARG 12 CO 0.00 0.60 0.37 0.45 -0.00 0.00 0.00 179.97 181.40 3i1t h HIS 13 N 0.94 0.65 -0.51 4.08 3.86 -1.44 -0.62 115.15 122.10 3i1t h HIS 13 Ca 0.30 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.50 3i1t h HIS 13 Cb 0.01 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3i1t h HIS 13 CO -0.03 0.17 0.14 -0.22 0.86 0.00 0.00 177.93 178.84 3i1t h LYS 14 N 0.57 0.81 0.55 2.45 3.64 0.15 -1.90 116.57 122.83 3i1t h LYS 14 Ca 0.41 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3i1t h LYS 14 Cb 0.55 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3i1t h LYS 14 CO -0.34 0.77 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.95 3i1t h LYS 15 N 0.71 -0.93 -0.29 1.90 3.11 -0.43 -0.71 116.57 119.93 3i1t h LYS 15 Ca 0.16 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 3i1t h LYS 15 Cb 0.31 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 3i1t h LYS 15 CO -0.00 -0.62 0.19 0.82 -2.81 0.00 0.00 179.45 177.03 3i1t h ILE 16 N -0.96 1.08 0.00 2.00 5.03 -1.38 -1.16 117.51 122.12 3i1t h ILE 16 Ca -0.06 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 3i1t h ILE 16 Cb 0.82 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.27 3i1t h ILE 16 CO -0.00 0.08 0.31 0.25 -0.68 0.00 0.00 178.15 178.11 3i1t h LEU 17 N 0.39 0.00 0.10 1.44 5.85 -1.00 -0.27 115.31 121.81 3i1t h LEU 17 Ca 0.11 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.48 3i1t h LEU 17 Cb -0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3i1t h LEU 17 CO -0.02 0.00 -1.88 1.17 -0.34 0.00 0.00 178.44 177.37 3i1t n LYS 18 N -2.88 0.73 0.24 1.25 0.00 -0.30 -3.42 118.16 113.77 3i1t n LYS 18 Ca -0.02 0.31 0.16 0.00 0.00 0.00 0.00 58.31 58.76 3i1t n LYS 18 Cb 0.36 -1.71 0.84 0.00 0.00 0.00 0.00 35.03 34.52 3i1t n LYS 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3i1t h GLN 19 N -0.12 0.00 -0.01 1.64 4.20 -0.43 -2.56 115.11 117.83 3i1t h GLN 19 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3i1t h GLN 19 Cb 1.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.69 3i1t h GLN 19 CO 0.03 0.00 -0.75 0.00 -0.67 0.00 0.00 178.83 177.44 3i1t n ALA 20 N -1.89 4.17 -2.07 3.87 0.00 -0.94 -4.93 120.51 118.71 3i1t n ALA 20 Ca -0.02 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 3i1t n ALA 20 Cb 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3i1t n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1t s LYS 21 N -2.67 3.89 0.00 0.00 -0.14 -0.97 -2.92 119.74 116.93 3i1t s LYS 21 Ca 0.11 1.82 0.00 0.00 -1.36 0.00 0.00 55.97 56.54 3i1t s LYS 21 Cb 0.16 -4.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 3i1t s LYS 21 CO 0.71 -1.19 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 3i1t n GLY 22 N 4.53 1.30 0.00 -3.33 0.00 -1.26 -5.08 105.19 101.34 3i1t n GLY 22 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i1t n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1t n TYR 23 N 0.00 0.00 -4.28 1.61 0.53 -1.15 -5.08 117.16 108.79 3i1t n TYR 23 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.73 3i1t n TYR 23 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 3i1t n TYR 23 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 3i1t s TYR 24 N 0.00 1.38 0.00 -0.72 5.04 -1.26 -4.83 117.35 116.96 3i1t s TYR 24 Ca 0.00 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 3i1t s TYR 24 Cb 0.00 -0.78 0.00 0.00 0.35 0.00 0.00 41.96 41.53 3i1t s TYR 24 CO 0.00 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 3i1t n GLY 25 N -0.32 0.76 0.00 8.97 0.00 -1.26 -0.83 105.19 112.51 3i1t n GLY 25 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.22 3i1t n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 26 N 2.15 1.70 0.24 4.61 0.00 -1.26 -2.09 120.51 125.86 3i1t n ALA 26 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3i1t n ALA 26 Cb 0.00 -1.14 0.59 0.00 0.00 0.00 0.00 19.45 18.91 3i1t n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1t h ARG 27 N 0.00 0.00 -0.74 0.00 2.43 -1.29 0.00 114.38 114.79 3i1t h ARG 27 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 3i1t h ARG 27 Cb 0.03 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.24 3i1t h ARG 27 CO 0.00 0.15 -0.32 -1.13 -1.51 0.00 0.00 179.97 177.16 3i1t n SER 28 N -4.12 5.17 0.00 -3.80 3.41 -0.89 -3.64 113.62 109.75 3i1t n SER 28 Ca -0.02 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 3i1t n SER 28 Cb 0.23 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3i1t n SER 28 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3i1t n ARG 29 N -0.83 0.00 -4.09 4.33 1.85 -1.11 -4.76 116.66 112.06 3i1t n ARG 29 Ca 0.46 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.98 3i1t n ARG 29 Cb 0.90 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 32.15 3i1t n ARG 29 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i1t s VAL 30 N 0.00 2.25 0.03 8.89 1.01 -0.03 -5.06 120.40 127.50 3i1t s VAL 30 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3i1t s VAL 30 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3i1t s VAL 30 CO 0.00 0.52 1.19 0.22 0.00 0.00 0.00 175.10 177.03 3i1t h TYR 31 N 7.96 -0.50 -0.80 5.22 3.20 -1.94 0.35 116.97 130.47 3i1t h TYR 31 Ca -0.45 0.01 0.23 0.00 3.14 0.00 0.00 58.73 61.66 3i1t h TYR 31 Cb 1.14 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 3i1t h TYR 31 CO 0.49 -0.22 1.13 0.54 -1.64 0.00 0.00 178.16 178.46 3i1t n ARG 32 N -3.43 0.02 -0.08 1.82 1.74 -1.26 0.08 116.66 115.55 3i1t n ARG 32 Ca -0.04 0.96 -0.18 0.00 -0.77 0.00 0.00 57.85 57.83 3i1t n ARG 32 Cb 0.15 -2.43 -0.13 0.00 -1.02 0.00 0.00 32.46 29.03 3i1t n ARG 32 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1t n VAL 33 N -3.00 1.58 -0.25 1.55 0.31 -0.07 -4.33 118.33 114.11 3i1t n VAL 33 Ca 0.18 -0.63 -0.06 0.00 -0.01 0.00 0.00 64.34 63.81 3i1t n VAL 33 Cb 1.37 -1.42 0.05 0.00 -0.91 0.00 0.00 33.84 32.92 3i1t n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1t h ALA 34 N 0.15 0.90 -0.11 3.52 0.00 0.15 -2.69 119.26 121.19 3i1t h ALA 34 Ca -0.51 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.24 3i1t h ALA 34 Cb 1.98 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 3i1t h ALA 34 CO -0.02 0.51 -0.33 0.35 0.00 0.00 0.00 179.25 179.76 3i1t h PHE 35 N 0.98 -1.00 -0.05 0.00 3.04 -1.34 0.75 116.94 119.32 3i1t h PHE 35 Ca 0.23 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.24 3i1t h PHE 35 Cb 0.18 0.45 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 3i1t h PHE 35 CO 0.01 -0.33 0.13 1.96 -2.02 0.00 0.00 178.31 178.07 3i1t h GLN 36 N -0.34 0.00 0.00 1.11 4.20 -1.74 -1.40 115.11 116.94 3i1t h GLN 36 Ca 0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3i1t h GLN 36 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3i1t h GLN 36 CO -0.28 0.00 -0.87 0.00 -0.67 0.00 0.00 178.83 177.01 3i1t h ALA 37 N 1.78 0.67 0.17 3.87 0.00 0.60 -2.76 119.26 123.59 3i1t h ALA 37 Ca 0.02 -0.52 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 3i1t h ALA 37 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i1t h ALA 37 CO -0.00 0.63 -1.80 0.28 0.00 0.00 0.00 179.25 178.35 3i1t h VAL 38 N 0.00 0.87 -0.61 0.00 2.07 0.77 -3.00 116.25 116.36 3i1t h VAL 38 Ca -0.06 -2.48 0.04 0.00 0.82 0.00 0.00 66.70 65.01 3i1t h VAL 38 Cb 1.39 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 33.83 3i1t h VAL 38 CO 0.05 0.87 0.35 0.40 0.02 0.00 0.00 177.57 179.26 3i1t h ILE 39 N 0.10 1.02 0.14 4.57 1.08 -1.45 0.43 117.51 123.39 3i1t h ILE 39 Ca -0.36 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3i1t h ILE 39 Cb 2.09 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 3i1t h ILE 39 CO 0.16 0.12 -0.07 0.11 -0.69 0.00 0.00 178.15 177.79 3i1t h LYS 40 N 0.68 -0.18 -0.93 2.37 1.79 -1.61 0.17 116.57 118.85 3i1t h LYS 40 Ca 0.26 0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.99 3i1t h LYS 40 Cb 0.10 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 3i1t h LYS 40 CO -0.14 0.14 0.64 0.00 -1.08 0.00 0.00 179.45 179.02 3i1t h ALA 41 N 0.29 2.58 0.00 3.86 0.00 -1.36 0.29 119.26 124.92 3i1t h ALA 41 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3i1t h ALA 41 Cb 0.40 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3i1t h ALA 41 CO 0.03 -0.87 -1.35 0.78 0.00 0.00 0.00 179.25 177.84 3i1t h GLY 42 N 0.18 0.01 0.86 0.00 0.00 -0.46 -1.63 103.07 102.04 3i1t h GLY 42 Ca 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3i1t h GLY 42 CO -0.10 0.02 -0.34 1.46 0.00 0.00 0.00 176.54 177.58 3i1t h GLN 43 N 0.00 -0.92 -1.05 4.80 4.20 0.12 -2.45 115.11 119.81 3i1t h GLN 43 Ca -0.15 0.06 0.28 0.00 0.06 0.00 0.00 58.65 58.91 3i1t h GLN 43 Cb 1.89 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 29.81 3i1t h GLN 43 CO 0.11 -0.59 0.71 1.88 -0.67 0.00 0.00 178.83 180.27 3i1t h TYR 44 N -1.11 0.39 0.00 2.96 0.99 -0.59 -2.10 116.97 117.51 3i1t h TYR 44 Ca -0.10 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3i1t h TYR 44 Cb 0.76 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.38 3i1t h TYR 44 CO -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 178.16 178.20 3i1t n ALA 45 N -2.59 -0.22 -0.25 3.88 0.00 -0.61 -1.66 120.51 119.06 3i1t n ALA 45 Ca 0.24 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.82 3i1t n ALA 45 Cb 0.97 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.70 3i1t n ALA 45 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3i1t n TYR 46 N -1.26 0.58 -0.07 0.00 9.36 -0.94 -1.33 117.16 123.49 3i1t n TYR 46 Ca 0.00 0.89 -0.14 0.00 3.32 0.00 0.00 57.90 61.96 3i1t n TYR 46 Cb 0.00 -1.12 -0.03 0.00 -0.63 0.00 0.00 39.34 37.56 3i1t n TYR 46 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3i1t h ARG 47 N 0.00 0.85 0.00 2.98 2.43 -1.31 -3.09 114.38 116.24 3i1t h ARG 47 Ca 0.50 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i1t h ARG 47 Cb 1.13 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3i1t h ARG 47 CO -0.66 1.17 0.00 -0.44 -1.51 0.00 0.00 179.97 178.53 3i1t h ASP 48 N 0.66 0.00 -0.89 -3.80 3.45 -0.27 -2.47 116.42 113.09 3i1t h ASP 48 Ca 0.02 0.00 0.26 0.00 0.43 0.00 0.00 57.03 57.73 3i1t h ASP 48 Cb 1.15 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.88 3i1t h ASP 48 CO 0.12 0.00 0.72 -0.09 -1.57 0.00 0.00 179.24 178.42 3i1t h ARG 49 N 0.00 0.00 0.00 3.56 9.65 -1.35 0.45 114.38 126.69 3i1t h ARG 49 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 3i1t h ARG 49 Cb 0.82 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.37 3i1t h ARG 49 CO 0.00 0.00 -1.46 0.54 2.80 0.00 0.00 179.97 181.85 3i1t n ARG 50 N -3.99 0.55 -0.32 0.20 3.00 -0.95 -4.02 116.66 111.13 3i1t n ARG 50 Ca 0.19 0.43 0.17 0.00 -0.01 0.00 0.00 57.85 58.63 3i1t n ARG 50 Cb 1.03 -1.62 0.34 0.00 0.00 0.00 0.00 32.46 32.21 3i1t n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3i1t h GLN 51 N -1.00 0.07 -0.94 5.56 1.08 -1.26 0.67 115.11 119.29 3i1t h GLN 51 Ca -0.34 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.94 3i1t h GLN 51 Cb 1.21 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.55 3i1t h GLN 51 CO -0.21 0.05 0.58 -0.09 -0.95 0.00 0.00 178.83 178.21 3i1t h ARG 52 N 0.07 0.97 0.00 1.46 2.43 -0.29 0.43 114.38 119.45 3i1t h ARG 52 Ca 0.63 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.62 3i1t h ARG 52 Cb 1.38 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3i1t h ARG 52 CO -0.81 0.64 -0.56 0.87 -1.51 0.00 0.00 179.97 178.61 3i1t h LYS 53 N 0.99 0.00 0.00 0.20 1.57 0.19 -2.56 116.57 116.97 3i1t h LYS 53 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3i1t h LYS 53 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3i1t h LYS 53 CO -0.22 0.56 -1.04 0.54 -0.57 0.00 0.00 179.45 178.71 3i1t n ARG 54 N -3.62 0.50 0.08 3.15 3.00 -0.74 -4.13 116.66 114.89 3i1t n ARG 54 Ca -0.00 0.06 -0.00 0.00 -0.01 0.00 0.00 57.85 57.89 3i1t n ARG 54 Cb 0.62 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 3i1t n ARG 54 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3i1t h GLN 55 N 0.00 0.00 -0.00 5.56 1.08 -0.00 -3.03 115.11 118.72 3i1t h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i1t h GLN 55 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3i1t h GLN 55 CO 0.00 0.47 -0.06 1.19 -0.95 0.00 0.00 178.83 179.48 3i1t n PHE 56 N -3.09 0.00 -0.08 2.96 3.01 -0.98 -3.20 117.46 116.08 3i1t n PHE 56 Ca -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.33 3i1t n PHE 56 Cb 0.82 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.82 3i1t n PHE 56 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3i1t h ARG 57 N 0.03 0.00 -0.96 -1.08 1.12 -1.71 -2.54 114.38 109.24 3i1t h ARG 57 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3i1t h ARG 57 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 3i1t h ARG 57 CO 0.00 0.33 0.00 1.04 -3.11 0.00 0.00 179.97 178.23 3i1t n GLN 58 N -4.59 0.40 0.04 0.20 6.02 -1.15 -1.88 117.38 116.43 3i1t n GLN 58 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3i1t n GLN 58 Cb 0.36 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3i1t n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1t n LEU 59 N 0.53 0.54 0.01 1.08 -0.00 -1.19 -4.50 117.00 113.46 3i1t n LEU 59 Ca 0.00 0.13 -0.05 0.00 -0.00 0.00 0.00 56.01 56.09 3i1t n LEU 59 Cb 0.15 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 3i1t n LEU 59 CO 0.00 -0.51 0.50 -0.50 -0.00 0.00 0.00 177.39 176.89 3i1t h TRP 60 N 0.00 -0.49 -0.97 1.96 6.55 -1.22 -2.24 115.95 119.54 3i1t h TRP 60 Ca 0.00 0.02 0.28 0.00 0.95 0.00 0.00 58.89 60.14 3i1t h TRP 60 Cb 0.32 0.22 -0.18 0.00 -0.86 0.00 0.00 29.16 28.65 3i1t h TRP 60 CO 0.00 -0.17 0.06 -0.89 -1.05 0.00 0.00 178.44 176.39 3i1t n ILE 61 N -3.43 -0.41 -0.34 1.49 -0.00 -0.79 0.11 119.36 116.00 3i1t n ILE 61 Ca -0.02 2.12 0.16 0.00 -0.00 0.00 0.00 62.75 65.02 3i1t n ILE 61 Cb 0.12 -3.13 0.32 0.00 -0.00 0.00 0.00 39.64 36.95 3i1t n ILE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1t h ALA 62 N 1.94 1.26 0.05 -1.39 0.00 -1.62 0.33 119.26 119.83 3i1t h ALA 62 Ca 0.61 0.34 -0.26 0.00 0.00 0.00 0.00 54.91 55.60 3i1t h ALA 62 Cb 1.30 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3i1t h ALA 62 CO -0.90 -0.61 -1.38 0.07 0.00 0.00 0.00 179.25 176.43 3i1t h ARG 63 N 0.00 0.11 -0.91 0.00 -0.00 0.80 -3.24 114.38 111.15 3i1t h ARG 63 Ca 0.62 -0.20 0.25 0.00 -0.00 0.00 0.00 59.98 60.66 3i1t h ARG 63 Cb 1.32 0.07 -0.16 0.00 -0.00 0.00 0.00 29.97 31.21 3i1t h ARG 63 CO -0.92 1.09 0.11 0.82 -0.00 0.00 0.00 179.97 181.08 3i1t h ILE 64 N -0.61 0.17 0.00 0.08 1.08 -0.72 1.62 117.51 119.13 3i1t h ILE 64 Ca -0.34 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3i1t h ILE 64 Cb 1.55 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3i1t h ILE 64 CO -0.07 0.02 -0.03 -1.13 -0.69 0.00 0.00 178.15 176.25 3i1t h ASN 65 N 0.09 0.00 0.14 1.72 -1.24 -0.47 0.19 115.58 116.02 3i1t h ASN 65 Ca 0.56 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 57.22 3i1t h ASN 65 Cb 1.16 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.16 3i1t h ASN 65 CO -0.79 0.03 -2.13 0.00 -1.29 0.00 0.00 177.43 173.25 3i1t n ALA 66 N -2.42 1.24 0.25 1.57 0.00 0.49 -1.58 120.51 120.06 3i1t n ALA 66 Ca -0.03 -0.87 0.13 0.00 0.00 0.00 0.00 53.44 52.68 3i1t n ALA 66 Cb 0.11 -0.48 0.58 0.00 0.00 0.00 0.00 19.45 19.66 3i1t n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 67 N 0.35 1.03 0.00 0.00 0.00 0.50 1.06 119.26 122.20 3i1t h ALA 67 Ca -0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3i1t h ALA 67 Cb 2.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 3i1t h ALA 67 CO 0.03 0.15 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 3i1t h ALA 68 N 1.88 0.02 -0.81 0.00 0.00 -0.73 -2.87 119.26 116.76 3i1t h ALA 68 Ca -0.00 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.59 3i1t h ALA 68 Cb 0.61 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3i1t h ALA 68 CO 0.02 0.08 0.53 -0.09 0.00 0.00 0.00 179.25 179.78 3i1t h ARG 69 N -1.00 0.64 -0.01 0.00 9.65 -0.91 -0.23 114.38 122.53 3i1t h ARG 69 Ca -0.03 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3i1t h ARG 69 Cb 0.76 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3i1t h ARG 69 CO -0.02 0.43 -0.20 0.94 2.80 0.00 0.00 179.97 183.92 3i1t n GLN 70 N -4.52 0.88 -1.21 0.20 -0.06 0.36 -3.80 117.38 109.24 3i1t n GLN 70 Ca 0.14 -0.48 -0.03 0.00 -2.00 0.00 0.00 57.00 54.63 3i1t n GLN 70 Cb 0.39 -1.49 0.13 0.00 -4.06 0.00 0.00 30.24 25.21 3i1t n GLN 70 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3i1t n ASN 71 N -0.64 2.57 0.00 1.69 5.15 -0.14 -5.02 115.26 118.87 3i1t n ASN 71 Ca 0.13 -3.59 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 3i1t n ASN 71 Cb 0.33 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 3i1t n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1t n GLY 72 N -0.82 2.29 3.70 8.20 0.00 -0.96 -4.96 105.19 112.64 3i1t n GLY 72 Ca 0.24 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3i1t n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1t s ILE 73 N 0.00 4.15 0.79 -0.61 1.10 -1.14 -4.87 121.20 120.61 3i1t s ILE 73 Ca 0.00 -0.77 -0.12 0.00 -0.51 0.00 0.00 60.65 59.25 3i1t s ILE 73 Cb 0.00 -2.92 0.07 0.00 0.15 0.00 0.00 42.46 39.76 3i1t s ILE 73 CO 0.00 0.25 1.10 -0.94 -2.11 0.00 0.00 174.94 173.24 3i1t s SER 74 N -1.95 4.59 0.12 4.50 1.04 -1.26 -2.78 113.70 117.95 3i1t s SER 74 Ca 0.23 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 57.66 3i1t s SER 74 Cb -0.12 -1.94 -0.07 0.00 0.10 0.00 0.00 66.02 63.99 3i1t s SER 74 CO 0.15 -1.90 1.70 0.22 0.98 0.00 0.00 173.24 174.40 3i1t h TYR 75 N -1.04 -0.16 -0.51 5.02 3.20 -1.87 0.15 116.97 121.77 3i1t h TYR 75 Ca -0.47 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.48 3i1t h TYR 75 Cb 1.27 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.53 3i1t h TYR 75 CO 0.45 -0.11 -0.50 1.03 -1.64 0.00 0.00 178.16 177.40 3i1t h SER 76 N -0.07 -1.70 0.04 -2.11 0.87 -1.96 0.43 113.55 109.06 3i1t h SER 76 Ca 0.06 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3i1t h SER 76 Cb 0.16 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3i1t h SER 76 CO -0.14 -0.37 0.00 0.29 -0.53 0.00 0.00 176.83 176.08 3i1t n LYS 77 N -5.39 0.90 0.00 2.24 5.02 -1.06 -3.79 118.16 116.09 3i1t n LYS 77 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i1t n LYS 77 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3i1t n LYS 77 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i1t n PHE 78 N -1.02 0.00 -0.30 2.13 -0.00 0.15 -3.21 117.46 115.21 3i1t n PHE 78 Ca 0.22 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.84 3i1t n PHE 78 Cb 0.11 -0.37 0.44 0.00 -0.00 0.00 0.00 39.48 39.66 3i1t n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 3i1t h ILE 79 N 0.00 0.66 0.06 -2.13 -0.00 -1.63 0.68 117.51 115.14 3i1t h ILE 79 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 3i1t h ILE 79 Cb 0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 36.82 36.87 3i1t h ILE 79 CO 0.00 0.10 -0.21 -1.13 -0.00 0.00 0.00 178.15 176.91 3i1t h ASN 80 N 0.55 -0.62 0.00 2.19 -0.00 -1.73 0.34 115.58 116.32 3i1t h ASN 80 Ca 0.54 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 3i1t h ASN 80 Cb 1.13 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.68 3i1t h ASN 80 CO -0.28 -0.22 0.20 1.23 -0.00 0.00 0.00 177.43 178.36 3i1t h GLY 81 N -0.30 0.00 0.23 1.57 0.00 -1.13 0.16 103.07 103.60 3i1t h GLY 81 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3i1t h GLY 81 CO -0.11 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.80 3i1t h LEU 82 N 0.00 -0.11 -0.16 3.11 3.38 0.61 -2.30 115.31 119.85 3i1t h LEU 82 Ca 0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3i1t h LEU 82 Cb 0.40 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i1t h LEU 82 CO 0.00 0.53 0.06 0.50 0.09 0.00 0.00 178.44 179.62 3i1t h LYS 83 N -0.90 0.24 -0.08 1.13 3.64 0.68 -0.78 116.57 120.51 3i1t h LYS 83 Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3i1t h LYS 83 Cb 0.55 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3i1t h LYS 83 CO 0.02 0.34 0.11 0.87 -2.27 0.00 0.00 179.45 178.52 3i1t h LYS 84 N 0.09 0.00 -2.08 1.90 1.79 -0.88 -1.79 116.57 115.59 3i1t h LYS 84 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3i1t h LYS 84 Cb 0.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 3i1t h LYS 84 CO -0.00 0.00 -0.05 0.00 -1.08 0.00 0.00 179.45 178.31 3i1t n ALA 85 N -2.25 3.91 -1.84 3.86 0.00 -0.30 -4.83 120.51 119.06 3i1t n ALA 85 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3i1t n ALA 85 Cb 0.20 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3i1t n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1t n SER 86 N 1.96 -6.16 0.00 0.00 2.88 -0.68 -4.69 113.62 106.94 3i1t n SER 86 Ca 0.11 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 3i1t n SER 86 Cb 0.48 -3.94 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 3i1t n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i1t n VAL 87 N 1.08 0.00 -2.41 2.46 0.31 -1.21 -4.88 118.33 113.68 3i1t n VAL 87 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3i1t n VAL 87 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3i1t n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1t n GLU 88 N 13.02 -4.99 0.00 5.55 0.00 -1.26 -4.32 120.64 128.64 3i1t n GLU 88 Ca 0.00 3.64 0.00 0.00 0.00 0.00 0.00 57.16 60.80 3i1t n GLU 88 Cb 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 31.44 26.74 3i1t n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3i1t n ILE 89 N 1.84 0.00 -0.93 6.31 2.08 -1.26 -4.39 119.36 123.01 3i1t n ILE 89 Ca -0.08 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.17 3i1t n ILE 89 Cb 0.13 -0.48 -0.02 0.00 -0.75 0.00 0.00 39.64 38.52 3i1t n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3i1t n ASP 90 N -2.09 -3.03 -1.13 4.38 10.43 -1.26 -4.52 116.55 119.33 3i1t n ASP 90 Ca 0.00 0.14 0.12 0.00 2.57 0.00 0.00 54.79 57.61 3i1t n ASP 90 Cb 0.38 -2.45 -0.06 0.00 1.84 0.00 0.00 41.12 40.83 3i1t n ASP 90 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i1t n ARG 91 N -0.62 -2.20 0.13 -1.24 1.74 -1.26 -3.65 116.66 109.55 3i1t n ARG 91 Ca -0.06 1.79 0.01 0.00 -0.77 0.00 0.00 57.85 58.83 3i1t n ARG 91 Cb 0.31 -2.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 3i1t n ARG 91 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i1t h LYS 92 N -1.30 0.00 -0.11 5.56 1.57 -1.99 -3.28 116.57 117.02 3i1t h LYS 92 Ca -0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3i1t h LYS 92 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3i1t h LYS 92 CO 0.05 0.54 -0.11 0.97 -0.57 0.00 0.00 179.45 180.34 3i1t h ILE 93 N 0.00 1.36 0.00 1.86 2.10 -1.94 -2.91 117.51 117.98 3i1t h ILE 93 Ca -0.01 -1.26 0.00 0.00 1.08 0.00 0.00 64.86 64.66 3i1t h ILE 93 Cb 1.44 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 39.11 3i1t h ILE 93 CO 0.07 0.36 0.00 0.18 -1.08 0.00 0.00 178.15 177.68 3i1t n LEU 94 N -4.63 0.14 -1.66 2.19 4.77 -1.24 0.11 117.00 116.67 3i1t n LEU 94 Ca -0.07 -0.07 0.07 0.00 -0.03 0.00 0.00 56.01 55.92 3i1t n LEU 94 Cb 0.33 -0.07 0.37 0.00 -2.33 0.00 0.00 43.42 41.73 3i1t n LEU 94 CO 0.38 0.03 0.84 0.00 -1.33 0.00 0.00 177.39 177.31 3i1t n ALA 95 N -0.36 3.70 1.28 -1.18 0.00 -1.10 -3.95 120.51 118.91 3i1t n ALA 95 Ca 0.00 -2.04 0.13 0.00 0.00 0.00 0.00 53.44 51.54 3i1t n ALA 95 Cb 0.03 -1.03 0.69 0.00 0.00 0.00 0.00 19.45 19.14 3i1t n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1t n ASP 96 N 0.33 0.00 0.00 0.00 5.68 0.29 -2.51 116.55 120.35 3i1t n ASP 96 Ca 0.27 -0.07 0.07 0.00 -0.50 0.00 0.00 54.79 54.56 3i1t n ASP 96 Cb 1.14 -0.30 0.35 0.00 -1.14 0.00 0.00 41.12 41.17 3i1t n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3i1t n ILE 97 N -1.30 0.77 0.25 2.12 -5.35 -1.25 -0.30 119.36 114.29 3i1t n ILE 97 Ca 0.13 0.19 0.12 0.00 -0.27 0.00 0.00 62.75 62.92 3i1t n ILE 97 Cb 0.22 -0.94 0.62 0.00 -1.74 0.00 0.00 39.64 37.81 3i1t n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1t h ALA 98 N 2.62 1.14 0.11 -1.28 0.00 -1.76 -2.71 119.26 117.38 3i1t h ALA 98 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 3i1t h ALA 98 Cb 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i1t h ALA 98 CO 0.00 0.20 -0.99 0.28 0.00 0.00 0.00 179.25 178.74 3i1t h VAL 99 N 0.00 1.33 0.00 0.00 2.07 -0.90 -3.40 116.25 115.35 3i1t h VAL 99 Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3i1t h VAL 99 Cb 0.52 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 3i1t h VAL 99 CO 0.02 0.68 0.00 0.49 0.02 0.00 0.00 177.57 178.78 3i1t n PHE 100 N -4.11 0.00 -2.71 1.57 3.01 -1.21 -4.66 117.46 109.35 3i1t n PHE 100 Ca -0.19 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.84 3i1t n PHE 100 Cb 0.81 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.28 3i1t n PHE 100 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i1t s ASP 101 N -1.00 6.92 0.48 4.37 3.68 -1.02 -4.80 116.67 125.29 3i1t s ASP 101 Ca 0.00 -2.62 0.17 0.00 2.13 0.00 0.00 52.55 52.22 3i1t s ASP 101 Cb 0.00 -2.51 1.17 0.00 -1.45 0.00 0.00 42.92 40.12 3i1t s ASP 101 CO 0.00 -1.02 2.03 0.11 0.13 0.00 0.00 175.17 176.42 3i1t h LYS 102 N 7.48 0.21 -0.58 4.34 1.57 -1.78 -0.59 116.57 127.23 3i1t h LYS 102 Ca 0.39 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3i1t h LYS 102 Cb 0.88 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3i1t h LYS 102 CO 1.38 0.14 0.06 0.28 -0.57 0.00 0.00 179.45 180.74 3i1t h VAL 103 N 0.22 1.26 0.58 0.50 2.07 -1.90 0.12 116.25 119.11 3i1t h VAL 103 Ca 0.19 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3i1t h VAL 103 Cb 0.47 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i1t h VAL 103 CO -0.03 0.38 -0.47 0.00 0.02 0.00 0.00 177.57 177.46 3i1t h ALA 104 N 1.00 -1.18 -0.80 1.67 0.00 -1.45 -0.66 119.26 117.84 3i1t h ALA 104 Ca 0.17 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i1t h ALA 104 Cb 0.46 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3i1t h ALA 104 CO 0.02 -1.18 0.52 0.35 0.00 0.00 0.00 179.25 178.96 3i1t h PHE 105 N -1.02 0.84 -0.10 0.00 3.04 -1.42 0.22 116.94 118.51 3i1t h PHE 105 Ca -0.08 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 3i1t h PHE 105 Cb 0.86 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3i1t h PHE 105 CO -0.18 0.42 -0.01 1.15 -2.02 0.00 0.00 178.31 177.67 3i1t h THR 106 N 0.80 1.07 0.00 4.41 2.02 -0.25 -0.12 112.91 120.84 3i1t h THR 106 Ca 0.36 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3i1t h THR 106 Cb 0.34 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3i1t h THR 106 CO -0.13 0.09 -0.64 0.00 0.37 0.00 0.00 175.52 175.21 3i1t n ALA 107 N -2.51 3.51 0.22 6.16 0.00 0.28 -3.29 120.51 124.87 3i1t n ALA 107 Ca -0.01 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.19 3i1t n ALA 107 Cb 0.14 -1.08 0.13 0.00 0.00 0.00 0.00 19.45 18.64 3i1t n ALA 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i1t h LEU 108 N 0.00 0.00 0.02 0.00 6.46 0.10 -2.60 115.31 119.29 3i1t h LEU 108 Ca 0.00 -0.01 -0.24 0.00 -0.12 0.00 0.00 57.88 57.52 3i1t h LEU 108 Cb 0.58 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 3i1t h LEU 108 CO 0.00 0.00 -1.19 0.58 -0.62 0.00 0.00 178.44 177.22 3i1t h VAL 109 N 0.00 1.50 -0.30 1.05 2.07 -1.22 -3.08 116.25 116.28 3i1t h VAL 109 Ca 0.00 -3.22 -0.01 0.00 0.82 0.00 0.00 66.70 64.29 3i1t h VAL 109 Cb 0.98 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3i1t h VAL 109 CO 0.00 0.87 0.15 -0.08 0.02 0.00 0.00 177.57 178.53 3i1t h GLU 110 N 0.01 0.42 0.00 1.57 4.57 -1.51 0.21 114.58 119.85 3i1t h GLU 110 Ca -0.09 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3i1t h GLU 110 Cb 1.85 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.36 3i1t h GLU 110 CO 0.13 0.39 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.04 3i1t h LYS 111 N 0.36 0.00 0.35 1.92 1.63 -1.54 -2.62 116.57 116.66 3i1t h LYS 111 Ca 0.10 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3i1t h LYS 111 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3i1t h LYS 111 CO -0.01 0.08 -0.17 0.00 -3.45 0.00 0.00 179.45 175.90 3i1t h ALA 112 N 1.92 -0.50 0.00 5.00 0.00 -1.15 -3.22 119.26 121.31 3i1t h ALA 112 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i1t h ALA 112 Cb 0.19 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i1t h ALA 112 CO 0.01 -0.47 0.13 1.63 0.00 0.00 0.00 179.25 180.55 3i1t n LYS 113 N -4.88 0.03 0.46 0.00 5.02 0.63 -2.15 118.16 117.27 3i1t n LYS 113 Ca -0.06 0.45 -0.19 0.00 -2.02 0.00 0.00 58.31 56.49 3i1t n LYS 113 Cb 0.19 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.37 3i1t n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t h ALA 114 N 1.54 -1.16 0.11 7.82 0.00 -1.47 -2.82 119.26 123.28 3i1t h ALA 114 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 3i1t h ALA 114 Cb 0.26 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i1t h ALA 114 CO 0.00 -1.12 -1.29 0.00 0.00 0.00 0.00 179.25 176.83 3i1t h ALA 115 N -1.13 0.16 -0.82 0.00 0.00 -1.59 -3.28 119.26 112.59 3i1t h ALA 115 Ca -0.12 -0.95 0.20 0.00 0.00 0.00 0.00 54.91 54.05 3i1t h ALA 115 Cb 0.90 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 3i1t h ALA 115 CO 0.20 1.04 0.17 1.25 0.00 0.00 0.00 179.25 181.91 3i1t h LEU 116 N 0.07 -0.07 -0.67 0.00 5.85 -1.56 -3.50 115.31 115.43 3i1t h LEU 116 Ca -0.15 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i1t h LEU 116 Cb 1.97 0.27 0.00 0.00 0.37 0.00 0.00 40.66 43.27 3i1t h LEU 116 CO 0.19 -0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.15