#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1g n ASP 3 N 0.00 -3.02 0.04 7.28 -0.08 -1.26 -4.57 116.55 114.94 1i1g n ASP 3 Ca 0.00 0.65 -0.11 0.00 -1.51 0.00 0.00 54.79 53.82 1i1g n ASP 3 Cb 0.00 -0.94 -0.05 0.00 2.34 0.00 0.00 41.12 42.47 1i1g n ASP 3 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1i1g h GLU 4 N -0.02 -0.13 0.30 -0.67 4.39 -2.05 0.18 114.58 116.58 1i1g h GLU 4 Ca -0.43 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1i1g h GLU 4 Cb 1.42 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.07 1i1g h GLU 4 CO 0.42 -0.09 -0.51 0.00 -1.16 0.00 0.00 179.01 177.67 1i1g h ARG 5 N -0.13 -0.84 -0.23 2.33 3.08 -2.00 0.28 114.38 116.87 1i1g h ARG 5 Ca 0.04 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1i1g h ARG 5 Cb 0.19 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1i1g h ARG 5 CO -0.11 -0.56 0.24 -0.44 -1.07 0.00 0.00 179.97 178.03 1i1g h ASP 6 N -0.87 0.00 0.44 7.04 3.32 -1.84 0.18 116.42 124.70 1i1g h ASP 6 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1i1g h ASP 6 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1i1g h ASP 6 CO -0.18 0.00 -0.21 0.50 -1.72 0.00 0.00 179.24 177.63 1i1g h LYS 7 N 0.00 -0.57 -0.93 3.56 3.64 0.43 -2.19 116.57 120.51 1i1g h LYS 7 Ca 0.11 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.70 1i1g h LYS 7 Cb 0.58 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.36 1i1g h LYS 7 CO -0.00 -0.38 -0.29 0.82 -2.27 0.00 0.00 179.45 177.33 1i1g h ILE 8 N -1.05 0.05 -0.57 2.00 1.08 0.34 0.11 117.51 119.47 1i1g h ILE 8 Ca -0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 1i1g h ILE 8 Cb 0.45 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 1i1g h ILE 8 CO 0.10 0.00 0.28 0.40 -0.69 0.00 0.00 178.15 178.23 1i1g h ILE 9 N -0.01 0.91 -0.22 -0.67 2.04 -1.06 -1.13 117.51 117.36 1i1g h ILE 9 Ca 0.40 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 1i1g h ILE 9 Cb 0.65 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1i1g h ILE 9 CO -0.95 0.09 -0.14 -0.07 0.00 0.00 0.00 178.15 177.07 1i1g h LEU 10 N 0.52 0.36 0.70 1.44 3.38 -0.17 0.36 115.31 121.90 1i1g h LEU 10 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1i1g h LEU 10 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1i1g h LEU 10 CO -0.20 0.53 -0.45 -0.33 0.09 0.00 0.00 178.44 178.08 1i1g h GLU 11 N 0.35 -1.05 -0.18 1.13 5.08 0.02 0.14 114.58 120.07 1i1g h GLU 11 Ca 0.07 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1i1g h GLU 11 Cb 0.47 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1i1g h GLU 11 CO 0.03 -0.70 -0.26 0.82 -1.00 0.00 0.00 179.01 177.90 1i1g h ILE 12 N -1.09 0.00 -0.20 3.13 2.04 -1.35 -1.64 117.51 118.41 1i1g h ILE 12 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1i1g h ILE 12 Cb 0.88 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1i1g h ILE 12 CO 0.08 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 178.02 1i1g h LEU 13 N -0.20 -0.44 -1.85 1.44 3.38 -0.87 1.00 115.31 117.77 1i1g h LEU 13 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i1g h LEU 13 Cb 0.29 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i1g h LEU 13 CO -0.27 -0.18 0.29 1.05 0.09 0.00 0.00 178.44 179.42 1i1g h GLU 14 N -0.14 0.00 0.04 1.13 -0.00 -0.01 0.12 114.58 115.73 1i1g h GLU 14 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.19 1i1g h GLU 14 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.02 1i1g h GLU 14 CO -0.28 0.00 -1.56 0.87 -0.00 0.00 0.00 179.01 178.04 1i1g h LYS 15 N 0.00 0.08 -1.02 1.06 1.79 0.07 -3.44 116.57 115.11 1i1g h LYS 15 Ca 0.00 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1i1g h LYS 15 Cb 0.57 0.05 -0.21 0.00 -1.58 0.00 0.00 32.23 31.06 1i1g h LYS 15 CO 0.00 0.80 -0.40 0.34 -1.08 0.00 0.00 179.45 179.11 1i1g s ASP 16 N -6.50 -1.56 0.00 0.86 -1.08 0.31 -5.04 116.67 103.67 1i1g s ASP 16 Ca -0.06 0.00 0.08 0.00 -0.52 0.00 0.00 52.55 52.05 1i1g s ASP 16 Cb 0.08 2.00 0.49 0.00 -1.46 0.00 0.00 42.92 44.03 1i1g s ASP 16 CO 0.82 -0.28 1.19 0.00 0.52 0.00 0.00 175.17 177.43 1i1g n ALA 17 N 5.24 2.40 1.09 3.66 0.00 -0.54 -0.50 120.51 131.86 1i1g n ALA 17 Ca 0.06 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1i1g n ALA 17 Cb 0.54 -1.13 0.13 0.00 0.00 0.00 0.00 19.45 18.99 1i1g n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1i1g n ARG 18 N -0.65 1.13 -1.65 0.00 1.74 -1.26 -4.95 116.66 111.02 1i1g n ARG 18 Ca 0.06 -0.87 -0.50 0.00 -0.77 0.00 0.00 57.85 55.77 1i1g n ARG 18 Cb 0.03 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.93 1i1g n ARG 18 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1i1g n THR 19 N -0.18 0.13 -2.17 0.55 -1.04 0.35 -4.83 114.28 107.09 1i1g n THR 19 Ca 0.10 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 1i1g n THR 19 Cb 0.43 -1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 1i1g n THR 19 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1i1g s PRO 20 N 1.62 4.40 0.17 -2.82 0.04 -1.26 -4.89 135.00 132.26 1i1g s PRO 20 Ca 0.86 2.14 -0.23 0.00 0.04 0.00 0.00 61.00 63.82 1i1g s PRO 20 Cb -0.84 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 30.66 1i1g s PRO 20 CO 0.47 -0.14 1.40 1.19 0.04 0.00 0.00 177.00 179.96 1i1g n PHE 21 N 1.06 -0.21 -0.48 0.56 0.99 -1.26 0.28 117.46 118.40 1i1g n PHE 21 Ca 0.01 1.13 0.40 0.00 -0.00 0.00 0.00 57.45 58.98 1i1g n PHE 21 Cb 0.42 -0.69 0.68 0.00 -1.00 0.00 0.00 39.48 38.89 1i1g n PHE 21 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i1g h THR 22 N 0.00 0.09 0.13 4.37 2.02 -1.91 0.98 112.91 118.58 1i1g h THR 22 Ca 0.22 -0.02 -0.27 0.00 0.77 0.00 0.00 66.41 67.11 1i1g h THR 22 Cb 0.45 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1i1g h THR 22 CO -0.87 0.01 -1.23 -0.08 0.37 0.00 0.00 175.52 173.71 1i1g h GLU 23 N 0.05 0.30 -0.05 6.66 4.81 0.37 -3.15 114.58 123.58 1i1g h GLU 23 Ca 0.84 -0.49 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1i1g h GLU 23 Cb 2.78 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 32.31 1i1g h GLU 23 CO -0.37 1.22 -0.10 0.82 -0.73 0.00 0.00 179.01 179.85 1i1g h ILE 24 N 0.09 0.73 0.06 2.32 2.04 0.13 0.98 117.51 123.86 1i1g h ILE 24 Ca -0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1i1g h ILE 24 Cb 1.95 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1i1g h ILE 24 CO 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 178.12 1i1g h ALA 25 N 0.86 -0.76 -0.44 1.87 0.00 -1.22 0.40 119.26 119.97 1i1g h ALA 25 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1i1g h ALA 25 Cb 0.23 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1i1g h ALA 25 CO -0.14 -0.82 0.52 1.57 0.00 0.00 0.00 179.25 180.39 1i1g h LYS 26 N -0.34 0.00 -0.15 0.00 -0.00 -1.46 0.66 116.57 115.28 1i1g h LYS 26 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.48 1i1g h LYS 26 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.57 1i1g h LYS 26 CO -0.13 0.00 -0.58 0.87 -0.00 0.00 0.00 179.45 179.61 1i1g h LYS 27 N 0.00 0.49 -0.01 0.07 1.57 0.23 -3.21 116.57 115.71 1i1g h LYS 27 Ca 0.21 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1i1g h LYS 27 Cb 1.26 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1i1g h LYS 27 CO -0.00 0.93 -0.42 1.28 -0.57 0.00 0.00 179.45 180.67 1i1g n LEU 28 N -3.93 1.01 0.00 2.94 4.77 0.22 -4.94 117.00 117.07 1i1g n LEU 28 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1i1g n LEU 28 Cb 0.62 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1i1g n LEU 28 CO 0.47 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1i1g n GLY 29 N 1.41 1.56 0.00 -0.72 0.00 -0.39 -4.97 105.19 102.08 1i1g n GLY 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1i1g n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i1g n ILE 30 N -2.00 0.00 -4.56 -0.61 5.41 -1.22 -4.97 119.36 111.41 1i1g n ILE 30 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 1i1g n ILE 30 Cb 0.00 -0.62 -0.11 0.00 -0.71 0.00 0.00 39.64 38.20 1i1g n ILE 30 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i1g s SER 31 N -1.00 3.41 0.06 4.38 1.04 -1.26 -4.33 113.70 115.99 1i1g s SER 31 Ca 0.00 -1.34 -0.20 0.00 0.48 0.00 0.00 55.95 54.89 1i1g s SER 31 Cb 0.00 -0.30 -0.09 0.00 0.10 0.00 0.00 66.02 65.73 1i1g s SER 31 CO 0.00 -0.45 1.32 -0.08 0.98 0.00 0.00 173.24 175.01 1i1g h GLU 32 N 1.92 -0.46 -0.95 4.02 4.81 -1.93 0.82 114.58 122.82 1i1g h GLU 32 Ca -0.43 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.06 1i1g h GLU 32 Cb 1.24 0.10 -0.18 0.00 0.63 0.00 0.00 28.75 30.55 1i1g h GLU 32 CO 0.76 -0.30 -0.10 1.15 -0.73 0.00 0.00 179.01 179.79 1i1g h THR 33 N -0.47 0.07 0.88 0.32 2.02 -1.97 1.18 112.91 114.93 1i1g h THR 33 Ca -0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1i1g h THR 33 Cb 0.46 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1i1g h THR 33 CO -0.14 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.32 1i1g h ALA 34 N 1.94 -1.19 -0.97 6.16 0.00 -1.86 0.51 119.26 123.85 1i1g h ALA 34 Ca 0.51 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.37 1i1g h ALA 34 Cb 0.93 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1i1g h ALA 34 CO -0.92 -1.17 0.62 0.28 0.00 0.00 0.00 179.25 178.05 1i1g h VAL 35 N -1.19 0.68 0.00 0.00 2.07 0.25 0.13 116.25 118.19 1i1g h VAL 35 Ca -0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1i1g h VAL 35 Cb 0.92 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1i1g h VAL 35 CO 0.19 0.10 0.00 0.54 0.02 0.00 0.00 177.57 178.42 1i1g n ARG 36 N -4.62 0.00 -0.29 1.57 1.74 0.35 -1.89 116.66 113.52 1i1g n ARG 36 Ca 0.22 0.30 0.01 0.00 -0.77 0.00 0.00 57.85 57.60 1i1g n ARG 36 Cb 0.67 -1.27 0.05 0.00 -1.02 0.00 0.00 32.46 30.88 1i1g n ARG 36 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1i1g n LYS 37 N -1.37 -0.15 -0.03 5.56 0.00 0.17 0.43 118.16 122.78 1i1g n LYS 37 Ca 0.00 1.19 -0.12 0.00 -0.00 0.00 0.00 58.31 59.39 1i1g n LYS 37 Cb 0.00 -1.77 -0.06 0.00 -0.00 0.00 0.00 35.03 33.20 1i1g n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i1g h ARG 38 N 0.00 -0.43 0.16 -1.58 2.47 -0.89 -0.28 114.38 113.83 1i1g h ARG 38 Ca 0.29 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 59.05 1i1g h ARG 38 Cb 0.49 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 1i1g h ARG 38 CO -0.77 -0.29 -0.21 0.28 0.56 0.00 0.00 179.97 179.54 1i1g h VAL 39 N -0.45 0.54 -0.30 2.04 2.07 0.71 0.22 116.25 121.09 1i1g h VAL 39 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1i1g h VAL 39 Cb 0.61 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1i1g h VAL 39 CO -0.44 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.19 1i1g h LYS 40 N -0.42 0.01 -0.82 1.57 6.56 -1.09 0.81 116.57 123.19 1i1g h LYS 40 Ca 0.01 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1i1g h LYS 40 Cb 0.42 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.03 1i1g h LYS 40 CO -0.08 0.00 0.54 0.00 -2.06 0.00 0.00 179.45 177.85 1i1g h ALA 41 N 1.29 1.47 -0.42 3.86 0.00 -0.24 0.58 119.26 125.80 1i1g h ALA 41 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1i1g h ALA 41 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i1g h ALA 41 CO -0.30 0.46 0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1i1g h LEU 42 N 1.04 0.67 0.21 0.00 3.38 0.17 0.80 115.31 121.58 1i1g h LEU 42 Ca 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i1g h LEU 42 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1i1g h LEU 42 CO -0.09 0.77 -0.19 -0.33 0.09 0.00 0.00 178.44 178.70 1i1g h GLU 43 N 0.55 -0.40 -0.80 1.13 5.08 0.84 0.19 114.58 121.17 1i1g h GLU 43 Ca 0.13 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1i1g h GLU 43 Cb 0.39 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1i1g h GLU 43 CO 0.01 -0.27 0.51 1.49 -1.00 0.00 0.00 179.01 179.75 1i1g h GLU 44 N -0.42 0.97 0.41 2.33 4.57 0.12 -2.87 114.58 119.68 1i1g h GLU 44 Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1i1g h GLU 44 Cb 0.38 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1i1g h GLU 44 CO -0.03 0.64 -0.20 -0.22 -1.18 0.00 0.00 179.01 178.02 1i1g h LYS 45 N 0.99 -0.53 0.00 1.92 3.64 -0.47 -3.47 116.57 118.65 1i1g h LYS 45 Ca 0.32 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1i1g h LYS 45 Cb 0.01 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1i1g h LYS 45 CO -0.11 -0.30 0.00 0.41 -2.27 0.00 0.00 179.45 177.18 1i1g n GLY 46 N -1.04 0.45 0.20 5.01 0.00 0.61 -4.99 105.19 105.43 1i1g n GLY 46 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1i1g n GLY 46 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i1g h ILE 47 N 0.00 1.34 -2.82 -0.61 2.04 -1.63 -3.23 117.51 112.60 1i1g h ILE 47 Ca 0.00 -2.01 -0.70 0.00 1.00 0.00 0.00 64.86 63.15 1i1g h ILE 47 Cb 0.00 1.99 -0.19 0.00 -0.74 0.00 0.00 36.82 37.88 1i1g h ILE 47 CO 0.00 0.62 0.43 -0.63 0.00 0.00 0.00 178.15 178.57 1i1g s ILE 48 N -3.74 4.81 0.32 -0.67 1.01 -1.20 -4.91 121.20 116.81 1i1g s ILE 48 Ca -0.07 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.35 1i1g s ILE 48 Cb 0.10 -4.62 0.12 0.00 0.01 0.00 0.00 42.46 38.07 1i1g s ILE 48 CO 0.86 -1.30 1.81 -0.33 0.00 0.00 0.00 174.94 175.98 1i1g h GLU 49 N 8.95 0.43 0.00 2.79 5.08 -1.89 -3.41 114.58 126.53 1i1g h GLU 49 Ca -0.09 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1i1g h GLU 49 Cb 1.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1i1g h GLU 49 CO 1.07 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 180.07 1i1g n GLY 50 N -0.64 1.29 3.53 -3.84 0.00 -1.26 -5.09 105.19 99.17 1i1g n GLY 50 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1i1g n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1g s TYR 51 N -2.00 3.20 0.00 1.61 1.51 -1.26 -5.05 117.35 115.36 1i1g s TYR 51 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1i1g s TYR 51 Cb 0.00 -2.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 1i1g s TYR 51 CO 0.00 -0.50 0.00 -2.37 -1.11 0.00 0.00 175.55 171.57 1i1g n THR 52 N 5.28 0.00 -4.25 -0.71 5.66 -1.26 -5.16 114.28 113.85 1i1g n THR 52 Ca -0.09 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.74 1i1g n THR 52 Cb 0.49 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.13 1i1g n THR 52 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1i1g s ILE 53 N -0.95 0.72 -0.37 1.09 -4.36 -1.26 -5.02 121.20 111.05 1i1g s ILE 53 Ca 0.00 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.60 1i1g s ILE 53 Cb 0.00 -0.66 0.02 0.00 1.25 0.00 0.00 42.46 43.07 1i1g s ILE 53 CO 0.00 -0.00 0.22 -0.75 0.24 0.00 0.00 174.94 174.65 1i1g s LYS 54 N -0.75 3.01 -0.19 0.37 2.47 -1.26 -5.07 119.74 118.32 1i1g s LYS 54 Ca -0.00 -0.96 -0.05 0.00 -1.56 0.00 0.00 55.97 53.40 1i1g s LYS 54 Cb -0.06 -3.76 -0.03 0.00 -1.46 0.00 0.00 37.83 32.53 1i1g s LYS 54 CO 0.00 -0.63 -0.01 0.42 0.16 0.00 0.00 175.35 175.29 1i1g s ILE 55 N 1.61 3.96 -0.59 5.43 1.01 -1.26 -5.10 121.20 126.26 1i1g s ILE 55 Ca 0.03 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 1i1g s ILE 55 Cb -0.19 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1i1g s ILE 55 CO 0.08 0.45 1.13 0.21 0.00 0.00 0.00 174.94 176.81 1i1g s ASN 56 N 0.78 6.39 0.19 3.58 3.84 -1.26 -4.96 114.94 123.50 1i1g s ASN 56 Ca -0.00 -0.09 -0.12 0.00 0.21 0.00 0.00 52.86 52.86 1i1g s ASN 56 Cb -0.14 -2.52 0.19 0.00 -0.55 0.00 0.00 41.25 38.23 1i1g s ASN 56 CO 0.02 -1.45 1.76 1.55 -2.79 0.00 0.00 177.10 176.19 1i1g h PRO 57 N 9.53 0.42 -0.21 0.43 0.13 -1.98 -2.77 132.00 137.56 1i1g h PRO 57 Ca -0.26 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1i1g h PRO 57 Cb 1.06 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.04 1i1g h PRO 57 CO 1.17 0.28 -0.18 0.87 -0.23 0.00 0.00 178.00 179.91 1i1g h LYS 58 N 0.43 -0.18 0.00 0.86 6.56 -1.94 0.59 116.57 122.89 1i1g h LYS 58 Ca 0.25 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1i1g h LYS 58 Cb 0.24 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1i1g h LYS 58 CO -0.22 -0.12 0.00 1.63 -2.06 0.00 0.00 179.45 178.67 1i1g n LYS 59 N -5.33 0.41 0.00 3.15 5.02 -1.07 -1.29 118.16 119.04 1i1g n LYS 59 Ca -0.01 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1i1g n LYS 59 Cb 0.25 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1i1g n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1i1g n LEU 60 N -1.02 2.30 0.00 -0.35 4.77 -0.45 -4.92 117.00 117.32 1i1g n LEU 60 Ca 0.10 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1i1g n LEU 60 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1i1g n LEU 60 CO 0.08 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1i1g n GLY 61 N 1.05 0.73 3.20 -0.72 0.00 -0.41 -5.00 105.19 104.05 1i1g n GLY 61 Ca 0.10 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1i1g n GLY 61 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i1g n TYR 62 N -2.57 4.05 0.45 1.61 4.02 0.19 -4.57 117.16 120.34 1i1g n TYR 62 Ca 0.00 -3.28 0.09 0.00 -0.01 0.00 0.00 57.90 54.69 1i1g n TYR 62 Cb 0.05 -1.69 0.38 0.00 -0.02 0.00 0.00 39.34 38.05 1i1g n TYR 62 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1i1g n SER 63 N 2.95 0.26 -3.77 7.72 3.41 -1.24 -4.01 113.62 118.94 1i1g n SER 63 Ca 0.29 0.57 -0.29 0.00 -0.26 0.00 0.00 58.87 59.18 1i1g n SER 63 Cb 0.38 -0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 63.58 1i1g n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i1g s LEU 64 N -3.58 3.46 -0.28 1.04 1.43 -1.16 -4.96 118.68 114.62 1i1g s LEU 64 Ca 0.06 -3.11 -0.29 0.00 -1.03 0.00 0.00 54.13 49.76 1i1g s LEU 64 Cb 0.09 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1i1g s LEU 64 CO 0.31 -0.20 1.50 -0.69 0.23 0.00 0.00 176.35 177.50 1i1g s VAL 65 N -0.33 3.86 -0.14 -1.59 1.01 -1.26 -2.61 120.40 119.33 1i1g s VAL 65 Ca 0.21 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1i1g s VAL 65 Cb -0.15 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1i1g s VAL 65 CO -0.07 -0.43 -0.17 -0.89 0.00 0.00 0.00 175.10 173.53 1i1g s THR 66 N 5.09 2.51 -0.49 3.92 2.01 0.96 -1.97 115.64 127.68 1i1g s THR 66 Ca 0.66 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 1i1g s THR 66 Cb -0.20 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1i1g s THR 66 CO 0.28 0.53 0.92 -0.63 -0.69 0.00 0.00 174.62 175.02 1i1g s ILE 67 N 0.72 4.46 -0.19 1.82 1.01 0.65 -0.80 121.20 128.87 1i1g s ILE 67 Ca -0.08 0.58 -0.07 0.00 0.00 0.00 0.00 60.65 61.08 1i1g s ILE 67 Cb -0.16 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1i1g s ILE 67 CO 0.01 -0.91 0.06 -0.89 0.00 0.00 0.00 174.94 173.22 1i1g s THR 68 N 3.77 4.69 0.25 2.92 2.01 0.62 0.32 115.64 130.22 1i1g s THR 68 Ca 0.34 -0.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 1i1g s THR 68 Cb -0.11 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 1i1g s THR 68 CO 0.24 0.44 0.78 -0.83 -0.69 0.00 0.00 174.62 174.56 1i1g s GLY 69 N 0.56 2.65 -0.22 4.40 0.00 0.50 -1.20 107.32 114.01 1i1g s GLY 69 Ca 0.03 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 1i1g s GLY 69 CO 0.01 0.63 0.03 0.14 0.00 0.00 0.00 173.10 173.91 1i1g s VAL 70 N -1.56 0.77 0.68 1.40 1.01 -1.25 -0.02 120.40 121.44 1i1g s VAL 70 Ca 0.45 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1i1g s VAL 70 Cb -0.17 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1i1g s VAL 70 CO 0.22 -0.27 1.02 -0.62 0.00 0.00 0.00 175.10 175.45 1i1g s ASP 71 N 1.73 5.23 0.16 3.32 -1.08 0.14 -2.57 116.67 123.61 1i1g s ASP 71 Ca -0.00 0.80 -0.21 0.00 -0.52 0.00 0.00 52.55 52.62 1i1g s ASP 71 Cb -0.17 -1.59 0.06 0.00 -1.46 0.00 0.00 42.92 39.75 1i1g s ASP 71 CO -0.11 -1.38 0.57 -0.89 0.52 0.00 0.00 175.17 173.88 1i1g s THR 72 N -3.24 0.01 0.22 1.71 2.01 -1.26 -2.27 115.64 112.82 1i1g s THR 72 Ca 0.58 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1i1g s THR 72 Cb -0.11 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 1i1g s THR 72 CO 0.48 -0.06 1.08 -0.54 -0.69 0.00 0.00 174.62 174.89 1i1g s LYS 73 N -3.78 4.64 0.10 4.92 -0.14 -0.69 -4.73 119.74 120.06 1i1g s LYS 73 Ca 0.03 1.73 -0.21 0.00 -1.36 0.00 0.00 55.97 56.16 1i1g s LYS 73 Cb -0.01 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.84 1i1g s LYS 73 CO -0.11 0.17 1.36 -1.35 -0.76 0.00 0.00 175.35 174.66 1i1g h PRO 74 N 4.53 -0.07 0.00 -1.68 0.11 -2.00 -0.37 132.00 132.53 1i1g h PRO 74 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i1g h PRO 74 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1i1g h PRO 74 CO 0.70 -0.04 0.52 -0.85 -0.21 0.00 0.00 178.00 178.11 1i1g n GLU 75 N -4.49 0.01 -0.33 1.05 0.28 -1.26 -1.73 120.64 114.17 1i1g n GLU 75 Ca 0.00 0.17 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 1i1g n GLU 75 Cb 0.19 -2.04 0.07 0.00 1.43 0.00 0.00 31.44 31.09 1i1g n GLU 75 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1i1g n LYS 76 N -1.26 0.66 0.03 3.44 5.02 -0.15 -4.89 118.16 121.01 1i1g n LYS 76 Ca -0.00 -1.85 -0.13 0.00 -2.02 0.00 0.00 58.31 54.31 1i1g n LYS 76 Cb 0.52 -0.99 -0.08 0.00 -0.02 0.00 0.00 35.03 34.45 1i1g n LYS 76 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1i1g h LEU 77 N 0.06 -1.40 -0.91 -0.35 6.46 -1.39 0.27 115.31 118.05 1i1g h LEU 77 Ca -0.01 0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 1i1g h LEU 77 Cb 1.21 0.53 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1i1g h LEU 77 CO 0.00 -0.43 -0.07 -0.26 -0.62 0.00 0.00 178.44 177.06 1i1g h PHE 78 N -0.54 0.78 -0.62 1.25 -1.00 -1.90 -1.44 116.94 113.47 1i1g h PHE 78 Ca 0.01 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.61 1i1g h PHE 78 Cb 0.59 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 1i1g h PHE 78 CO -0.51 0.77 0.17 0.93 -1.61 0.00 0.00 178.31 178.06 1i1g h GLU 79 N 0.66 0.98 0.14 1.51 5.08 -1.84 -2.16 114.58 118.96 1i1g h GLU 79 Ca 0.12 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1i1g h GLU 79 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1i1g h GLU 79 CO 0.03 0.88 -0.07 0.28 -1.00 0.00 0.00 179.01 179.13 1i1g h VAL 80 N 0.90 0.91 -0.89 3.13 2.07 -0.35 -3.12 116.25 118.90 1i1g h VAL 80 Ca 0.20 -0.19 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1i1g h VAL 80 Cb 0.32 1.03 -0.13 0.00 -1.52 0.00 0.00 31.29 31.00 1i1g h VAL 80 CO -0.00 0.05 0.36 0.00 0.02 0.00 0.00 177.57 178.00 1i1g h ALA 81 N 0.57 1.41 -0.02 1.67 0.00 -1.07 0.23 119.26 122.05 1i1g h ALA 81 Ca -0.02 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1i1g h ALA 81 Cb 0.22 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i1g h ALA 81 CO 0.03 -0.38 -0.66 0.93 0.00 0.00 0.00 179.25 179.17 1i1g h GLU 82 N 0.35 0.08 0.00 0.00 5.08 -1.37 0.19 114.58 118.90 1i1g h GLU 82 Ca 0.56 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.70 1i1g h GLU 82 Cb 1.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1i1g h GLU 82 CO -0.56 0.71 -0.78 0.87 -1.00 0.00 0.00 179.01 178.25 1i1g h LYS 83 N 0.06 0.00 -0.30 2.33 1.57 -0.59 -1.75 116.57 117.88 1i1g h LYS 83 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1i1g h LYS 83 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1i1g h LYS 83 CO 0.09 0.78 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.22 1i1g h LEU 84 N 0.00 0.86 -0.73 2.94 3.38 -0.98 -1.07 115.31 119.72 1i1g h LEU 84 Ca -0.01 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.69 1i1g h LEU 84 Cb 1.44 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 1i1g h LEU 84 CO 0.10 1.19 0.20 0.50 0.09 0.00 0.00 178.44 180.51 1i1g h LYS 85 N 0.64 0.29 0.00 1.13 3.64 -0.45 -2.66 116.57 119.15 1i1g h LYS 85 Ca 0.04 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1i1g h LYS 85 Cb 1.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1i1g h LYS 85 CO 0.10 0.19 -0.31 0.93 -2.27 0.00 0.00 179.45 178.09 1i1g h GLU 86 N 0.30 0.00 -6.55 1.90 5.08 -0.27 -3.42 114.58 111.62 1i1g h GLU 86 Ca 0.41 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.24 1i1g h GLU 86 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1i1g h GLU 86 CO -0.48 0.31 0.43 0.71 -1.00 0.00 0.00 179.01 178.98 1i1g s TYR 87 N -4.21 3.65 -2.00 4.33 1.51 -1.01 -4.94 117.35 114.70 1i1g s TYR 87 Ca -0.03 1.64 0.06 0.00 -1.01 0.00 0.00 57.07 57.73 1i1g s TYR 87 Cb 0.14 -3.19 0.38 0.00 -0.11 0.00 0.00 41.96 39.18 1i1g s TYR 87 CO 0.70 -0.33 0.85 -3.47 -1.11 0.00 0.00 175.55 172.19 1i1g n ASP 88 N 3.08 0.00 -0.16 2.29 2.03 -1.26 -1.99 116.55 120.54 1i1g n ASP 88 Ca 0.04 -0.20 0.04 0.00 0.52 0.00 0.00 54.79 55.20 1i1g n ASP 88 Cb 0.48 -0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 1i1g n ASP 88 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1i1g n PHE 89 N -1.00 0.00 -2.85 -0.67 1.16 -1.26 -4.75 117.46 108.09 1i1g n PHE 89 Ca 0.05 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.20 1i1g n PHE 89 Cb 0.02 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.87 1i1g n PHE 89 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1i1g s VAL 90 N -1.38 4.57 -1.78 1.97 1.01 -0.84 -1.65 120.40 122.30 1i1g s VAL 90 Ca 0.07 -1.44 0.27 0.00 0.00 0.00 0.00 61.98 60.88 1i1g s VAL 90 Cb 0.07 -4.84 0.67 0.00 0.00 0.00 0.00 36.38 32.28 1i1g s VAL 90 CO 0.25 -1.60 1.97 0.29 0.00 0.00 0.00 175.10 176.01 1i1g n LYS 91 N 6.99 0.68 -3.65 2.72 5.02 -0.40 -4.86 118.16 124.66 1i1g n LYS 91 Ca 0.26 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1i1g n LYS 91 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1i1g n LYS 91 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1i1g s GLU 92 N -2.22 0.03 -0.09 1.97 -1.05 -1.23 -4.95 118.70 111.15 1i1g s GLU 92 Ca 0.35 0.04 0.03 0.00 -0.15 0.00 0.00 54.97 55.24 1i1g s GLU 92 Cb 0.19 0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1i1g s GLU 92 CO 0.35 -0.00 -0.17 -1.17 0.95 0.00 0.00 175.26 175.22 1i1g s LEU 93 N 0.54 1.81 0.12 1.83 2.96 -1.26 -1.56 118.68 123.12 1i1g s LEU 93 Ca -0.01 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1i1g s LEU 93 Cb -0.03 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1i1g s LEU 93 CO -0.13 0.06 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.53 1i1g s TYR 94 N 0.70 1.28 -0.11 5.38 1.51 -0.56 -4.98 117.35 120.57 1i1g s TYR 94 Ca -0.13 -0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 1i1g s TYR 94 Cb -0.16 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1i1g s TYR 94 CO 0.03 0.10 0.37 -0.51 -1.11 0.00 0.00 175.55 174.43 1i1g s LEU 95 N -2.51 4.31 0.34 -1.29 1.43 -1.26 -1.25 118.68 118.44 1i1g s LEU 95 Ca 0.08 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1i1g s LEU 95 Cb -0.04 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1i1g s LEU 95 CO 0.02 0.12 0.13 -0.55 0.23 0.00 0.00 176.35 176.31 1i1g s SER 96 N 0.15 2.01 0.00 2.29 0.15 0.72 -4.97 113.70 114.05 1i1g s SER 96 Ca 0.21 -1.56 0.07 0.00 0.70 0.00 0.00 55.95 55.37 1i1g s SER 96 Cb -0.14 0.34 0.19 0.00 -1.71 0.00 0.00 66.02 64.69 1i1g s SER 96 CO 0.08 -0.85 1.13 -1.54 1.20 0.00 0.00 173.24 173.26 1i1g n SER 97 N -0.99 2.53 -3.06 5.45 3.41 -1.26 -4.52 113.62 115.18 1i1g n SER 97 Ca -0.01 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1i1g n SER 97 Cb 0.65 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1i1g n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1g n GLY 98 N 0.17 -0.93 0.20 5.00 0.00 -1.26 -4.95 105.19 103.42 1i1g n GLY 98 Ca 0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 1i1g n GLY 98 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i1g h ASP 99 N -0.00 0.21 -4.04 1.61 3.32 -1.96 -3.40 116.42 112.16 1i1g h ASP 99 Ca 0.00 -0.08 -0.69 0.00 0.02 0.00 0.00 57.03 56.28 1i1g h ASP 99 Cb 0.00 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 39.19 1i1g h ASP 99 CO 0.00 0.56 -0.87 -1.00 -1.72 0.00 0.00 179.24 176.21 1i1g s HIS 100 N -4.24 2.47 0.02 4.55 3.76 -1.26 -5.02 115.29 115.57 1i1g s HIS 100 Ca -0.04 -0.64 -0.27 0.00 -0.15 0.00 0.00 55.06 53.96 1i1g s HIS 100 Cb 0.14 -1.61 -0.16 0.00 1.11 0.00 0.00 32.58 32.06 1i1g s HIS 100 CO 0.76 -0.16 1.21 0.52 -0.85 0.00 0.00 174.74 176.22 1i1g h MET 101 N 5.97 -0.74 -7.31 1.40 2.86 -1.79 -3.39 114.93 111.94 1i1g h MET 101 Ca -0.34 0.05 -0.52 0.00 -2.06 0.00 0.00 59.70 56.84 1i1g h MET 101 Cb 1.17 0.17 0.14 0.00 0.06 0.00 0.00 31.60 33.13 1i1g h MET 101 CO 0.48 -0.43 0.31 0.42 1.06 0.00 0.00 176.91 178.75 1i1g s ILE 102 N -4.83 3.22 -0.34 -1.22 1.01 -1.06 -0.20 121.20 117.77 1i1g s ILE 102 Ca -0.14 0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1i1g s ILE 102 Cb 0.02 -2.85 0.19 0.00 0.01 0.00 0.00 42.46 39.83 1i1g s ILE 102 CO 0.49 -0.51 0.59 -0.32 0.00 0.00 0.00 174.94 175.19 1i1g s MET 103 N -4.85 0.66 -0.08 2.79 1.75 -0.38 -3.75 119.30 115.44 1i1g s MET 103 Ca 0.62 0.18 -0.08 0.00 -1.25 0.00 0.00 55.69 55.16 1i1g s MET 103 Cb -0.18 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 1i1g s MET 103 CO 0.56 -1.11 0.20 0.00 -0.65 0.00 0.00 175.02 174.02 1i1g s ALA 104 N 2.39 3.86 -0.70 4.11 0.00 -0.34 -1.50 121.76 129.57 1i1g s ALA 104 Ca 0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 1i1g s ALA 104 Cb -0.08 -2.03 0.18 0.00 0.00 0.00 0.00 23.12 21.19 1i1g s ALA 104 CO -0.18 0.61 0.61 0.08 0.00 0.00 0.00 175.76 176.88 1i1g s VAL 105 N -1.09 4.93 0.13 0.00 1.01 -0.60 -0.28 120.40 124.50 1i1g s VAL 105 Ca 0.19 -2.40 -0.02 0.00 0.00 0.00 0.00 61.98 59.75 1i1g s VAL 105 Cb -0.13 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1i1g s VAL 105 CO 0.08 -0.94 0.32 -0.63 0.00 0.00 0.00 175.10 173.93 1i1g s ILE 106 N 0.42 5.25 -0.37 2.22 1.01 0.02 -1.28 121.20 128.47 1i1g s ILE 106 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1i1g s ILE 106 Cb -0.17 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.73 1i1g s ILE 106 CO -0.05 0.02 0.15 0.26 0.00 0.00 0.00 174.94 175.31 1i1g s TRP 107 N -1.66 3.46 0.42 3.97 0.51 -0.66 -0.03 118.94 124.94 1i1g s TRP 107 Ca 0.38 -2.14 0.08 0.00 -2.12 0.00 0.00 56.10 52.30 1i1g s TRP 107 Cb -0.12 -2.84 -0.01 0.00 -0.81 0.00 0.00 33.47 29.69 1i1g s TRP 107 CO 0.27 -0.90 0.44 0.00 -0.51 0.00 0.00 176.95 176.25 1i1g s ALA 108 N 1.21 4.22 -0.27 0.98 0.00 -1.07 -4.92 121.76 121.91 1i1g s ALA 108 Ca 0.04 -1.80 0.17 0.00 0.00 0.00 0.00 51.96 50.36 1i1g s ALA 108 Cb -0.22 -1.24 -0.24 0.00 0.00 0.00 0.00 23.12 21.43 1i1g s ALA 108 CO -0.02 -0.24 0.48 0.36 0.00 0.00 0.00 175.76 176.34 1i1g n LYS 109 N -1.65 0.85 -3.64 0.00 2.85 -1.26 -2.99 118.16 112.33 1i1g n LYS 109 Ca 0.05 -0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 57.15 1i1g n LYS 109 Cb 0.61 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.61 1i1g n LYS 109 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1i1g s ASP 110 N -3.50 -0.26 0.28 -5.58 3.84 -1.26 -3.60 116.67 106.58 1i1g s ASP 110 Ca -0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 52.55 52.28 1i1g s ASP 110 Cb 0.11 0.44 0.58 0.00 -1.38 0.00 0.00 42.92 42.67 1i1g s ASP 110 CO 0.70 -0.77 1.60 1.23 -0.00 0.00 0.00 175.17 177.93 1i1g h GLY 111 N 2.00 1.01 2.00 2.12 0.00 -1.98 0.77 103.07 109.00 1i1g h GLY 111 Ca -0.23 0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1i1g h GLY 111 CO 0.28 -0.39 -0.45 1.05 0.00 0.00 0.00 176.54 177.03 1i1g h GLU 112 N 0.06 0.00 -0.05 4.80 4.11 -1.98 0.32 114.58 121.85 1i1g h GLU 112 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.91 1i1g h GLU 112 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1i1g h GLU 112 CO -0.81 0.45 -0.05 0.22 0.07 0.00 0.00 179.01 178.89 1i1g h ASP 113 N 0.00 0.13 0.00 3.06 3.58 -0.11 -0.11 116.42 122.97 1i1g h ASP 113 Ca -0.00 -0.49 0.03 0.00 0.42 0.00 0.00 57.03 56.99 1i1g h ASP 113 Cb 0.87 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 1i1g h ASP 113 CO 0.06 0.59 -0.44 0.25 -2.88 0.00 0.00 179.24 176.82 1i1g h LEU 114 N -0.33 -1.34 -1.19 2.28 6.46 0.22 0.16 115.31 121.56 1i1g h LEU 114 Ca 0.01 0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.06 1i1g h LEU 114 Cb 0.56 0.52 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 1i1g h LEU 114 CO 0.01 -0.47 0.59 0.00 -0.62 0.00 0.00 178.44 177.95 1i1g h ALA 115 N -0.11 1.71 0.31 1.25 0.00 -0.36 0.37 119.26 122.44 1i1g h ALA 115 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1g h ALA 115 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i1g h ALA 115 CO -0.32 0.05 -0.15 0.93 0.00 0.00 0.00 179.25 179.76 1i1g h GLU 116 N 0.81 -0.40 -0.79 0.00 5.08 -0.00 -2.77 114.58 116.49 1i1g h GLU 116 Ca 0.46 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.98 1i1g h GLU 116 Cb 0.61 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.81 1i1g h GLU 116 CO -0.22 -0.27 -0.32 0.82 -1.00 0.00 0.00 179.01 178.02 1i1g h ILE 117 N -0.47 0.11 0.22 3.13 2.04 -0.42 0.74 117.51 122.87 1i1g h ILE 117 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1i1g h ILE 117 Cb 0.32 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1i1g h ILE 117 CO 0.07 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.26 1i1g h ILE 118 N -0.06 0.00 -0.01 -0.67 2.04 -0.29 0.14 117.51 118.66 1i1g h ILE 118 Ca 0.32 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.96 1i1g h ILE 118 Cb 0.58 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1i1g h ILE 118 CO -0.83 0.00 -0.92 0.77 0.00 0.00 0.00 178.15 177.17 1i1g h SER 119 N -0.61 0.52 0.38 1.72 4.64 -1.12 3.26 113.55 122.34 1i1g h SER 119 Ca -0.03 -0.41 -0.31 0.00 -0.47 0.00 0.00 61.79 60.57 1i1g h SER 119 Cb 0.56 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1i1g h SER 119 CO -0.12 1.20 -1.79 0.59 -0.87 0.00 0.00 176.83 175.84 1i1g n ASN 120 N -3.75 1.26 -0.09 4.97 3.02 0.25 -4.07 115.26 116.85 1i1g n ASN 120 Ca -0.06 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.70 1i1g n ASN 120 Cb 0.82 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 1i1g n ASN 120 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i1g n LYS 121 N -3.18 0.51 0.09 3.52 4.76 -0.05 -4.23 118.16 119.58 1i1g n LYS 121 Ca -0.21 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1i1g n LYS 121 Cb 1.05 -1.37 -0.13 0.00 -1.84 0.00 0.00 35.03 32.73 1i1g n LYS 121 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i1g h ILE 122 N -0.92 1.55 0.00 -0.18 2.04 -0.28 -3.28 117.51 116.44 1i1g h ILE 122 Ca -0.20 -3.17 -0.03 0.00 1.00 0.00 0.00 64.86 62.46 1i1g h ILE 122 Cb 1.12 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1i1g h ILE 122 CO -0.12 0.92 -0.16 1.23 0.00 0.00 0.00 178.15 180.01 1i1g h GLY 123 N 2.01 0.00 -3.14 5.37 0.00 0.58 -2.68 103.07 105.21 1i1g h GLY 123 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1i1g h GLY 123 CO 0.18 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.00 1i1g n LYS 124 N -3.40 4.26 -2.97 4.80 5.02 -1.24 -4.87 118.16 119.76 1i1g n LYS 124 Ca -0.00 -2.66 -0.41 0.00 -2.02 0.00 0.00 58.31 53.22 1i1g n LYS 124 Cb 0.36 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 1i1g n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1i1g s ILE 125 N -2.45 4.90 -0.30 -0.18 1.01 -1.01 -4.98 121.20 118.19 1i1g s ILE 125 Ca 0.46 1.43 -0.42 0.00 0.00 0.00 0.00 60.65 62.12 1i1g s ILE 125 Cb 0.35 -4.05 -0.19 0.00 0.01 0.00 0.00 42.46 38.58 1i1g s ILE 125 CO 0.14 -0.00 1.32 -1.84 0.00 0.00 0.00 174.94 174.55 1i1g n GLU 126 N 5.65 0.00 0.00 2.79 -0.00 -1.26 -1.43 120.64 126.39 1i1g n GLU 126 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1i1g n GLU 126 Cb 0.48 -1.41 0.00 0.00 -0.00 0.00 0.00 31.44 30.52 1i1g n GLU 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i1g n GLY 127 N 2.89 2.18 3.66 -1.84 0.00 -1.26 -4.67 105.19 106.15 1i1g n GLY 127 Ca 0.25 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1i1g n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1g s VAL 128 N -2.20 3.42 -0.74 1.61 1.01 -0.52 -1.71 120.40 121.27 1i1g s VAL 128 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1i1g s VAL 128 Cb 0.00 -3.33 0.14 0.00 0.00 0.00 0.00 36.38 33.19 1i1g s VAL 128 CO 0.00 -0.04 0.98 0.35 0.00 0.00 0.00 175.10 176.39 1i1g n THR 129 N 5.47 0.57 0.00 3.92 -2.24 -0.96 -4.92 114.28 116.12 1i1g n THR 129 Ca 0.18 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1i1g n THR 129 Cb 0.42 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1i1g n THR 129 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1i1g n LYS 130 N 0.27 0.00 -4.28 -0.78 4.81 -1.25 -4.87 118.16 112.07 1i1g n LYS 130 Ca 0.06 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.16 1i1g n LYS 130 Cb 0.29 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.23 1i1g n LYS 130 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1i1g s VAL 131 N 0.00 4.32 -0.34 3.15 1.01 -1.26 0.26 120.40 127.55 1i1g s VAL 131 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1i1g s VAL 131 Cb 0.00 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.61 1i1g s VAL 131 CO 0.00 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.77 1i1g s PRO 133 N 1.38 4.16 -0.22 0.00 0.04 -1.26 0.19 135.00 139.29 1i1g s PRO 133 Ca 0.12 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1i1g s PRO 133 Cb -0.19 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.11 1i1g s PRO 133 CO -0.19 0.49 -0.04 0.00 0.04 0.00 0.00 177.00 177.30 1i1g s ALA 134 N -0.51 1.76 0.06 8.56 0.00 0.15 -4.94 121.76 126.84 1i1g s ALA 134 Ca 0.27 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1i1g s ALA 134 Cb -0.17 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 1i1g s ALA 134 CO 0.14 -1.15 0.81 0.42 0.00 0.00 0.00 175.76 175.98 1i1g s ILE 135 N 1.49 4.67 -0.10 0.00 1.01 -1.26 -0.26 121.20 126.75 1i1g s ILE 135 Ca -0.04 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.05 1i1g s ILE 135 Cb -0.18 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1i1g s ILE 135 CO -0.07 0.36 1.52 -0.63 0.00 0.00 0.00 174.94 176.13 1i1g s ILE 136 N -0.07 3.82 -0.03 2.92 1.01 -0.83 -4.95 121.20 123.07 1i1g s ILE 136 Ca 0.40 0.98 -0.03 0.00 0.00 0.00 0.00 60.65 62.01 1i1g s ILE 136 Cb -0.21 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1i1g s ILE 136 CO 0.25 -0.10 0.22 -0.07 0.00 0.00 0.00 174.94 175.23 1i1g h LEU 137 N 10.18 -0.09 -8.21 2.97 3.38 -1.94 -3.43 115.31 118.16 1i1g h LEU 137 Ca -0.35 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.31 1i1g h LEU 137 Cb 1.15 0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 1i1g h LEU 137 CO 0.96 0.13 -0.75 -1.83 0.09 0.00 0.00 178.44 177.04 1i1g s GLU 138 N -1.80 0.60 -0.10 1.13 -1.05 -1.26 -5.05 118.70 111.17 1i1g s GLU 138 Ca -0.02 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 53.80 1i1g s GLU 138 Cb 0.00 -0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 33.22 1i1g s GLU 138 CO 0.05 0.09 0.71 0.21 0.95 0.00 0.00 175.26 177.27 1i1g s LYS 139 N -1.51 4.38 -0.01 -4.83 2.47 -1.26 -4.96 119.74 114.03 1i1g s LYS 139 Ca -0.07 0.86 0.10 0.00 -1.56 0.00 0.00 55.97 55.30 1i1g s LYS 139 Cb -0.09 -3.49 -0.13 0.00 -1.46 0.00 0.00 37.83 32.66 1i1g s LYS 139 CO 0.01 -0.04 0.32 1.28 0.16 0.00 0.00 175.35 177.08 1i1g n LEU 140 N 4.20 0.24 0.00 5.43 4.77 -1.26 -5.29 117.00 125.09 1i1g n LEU 140 Ca -0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1i1g n LEU 140 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1i1g n LEU 140 CO 0.47 0.06 0.00 1.17 -1.33 0.00 0.00 177.39 177.76