#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2b h ALA 2 N 0.00 0.87 -0.71 -5.12 0.00 -2.05 -3.07 119.26 109.18 2x2b h ALA 2 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2x2b h ALA 2 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2x2b h ALA 2 CO 0.00 0.65 0.34 0.22 0.00 0.00 0.00 179.25 180.46 2x2b h ASP 3 N 0.40 0.91 -0.32 0.00 3.58 -2.05 -0.77 116.42 118.17 2x2b h ASP 3 Ca 0.03 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2x2b h ASP 3 Cb 0.92 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2x2b h ASP 3 CO 0.08 0.77 0.09 0.74 -2.88 0.00 0.00 179.24 178.04 2x2b h THR 4 N 1.00 1.21 -0.08 2.25 2.02 -1.98 -1.87 112.91 115.46 2x2b h THR 4 Ca 0.25 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 2x2b h THR 4 Cb 0.10 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2x2b h THR 4 CO -0.03 0.23 -0.55 0.25 0.37 0.00 0.00 175.52 175.79 2x2b h LEU 5 N 0.36 0.26 -0.61 2.58 5.85 -1.45 -1.16 115.31 121.14 2x2b h LEU 5 Ca 0.10 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2x2b h LEU 5 Cb 0.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2x2b h LEU 5 CO -0.00 0.76 0.26 -0.08 -0.34 0.00 0.00 178.44 179.03 2x2b h GLU 6 N 0.18 0.90 -0.36 1.25 4.81 -1.07 -0.17 114.58 120.13 2x2b h GLU 6 Ca 0.00 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2x2b h GLU 6 Cb 1.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2x2b h GLU 6 CO 0.08 0.76 -0.13 0.00 -0.73 0.00 0.00 179.01 178.99 2x2b h ARG 7 N 0.85 0.72 -0.42 1.92 3.08 -1.01 -0.80 114.38 118.72 2x2b h ARG 7 Ca 0.21 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2x2b h ARG 7 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2x2b h ARG 7 CO -0.02 0.90 0.18 0.28 -1.07 0.00 0.00 179.97 180.24 2x2b h VAL 8 N 0.51 1.19 -0.47 2.04 2.07 -1.12 -3.04 116.25 117.42 2x2b h VAL 8 Ca 0.08 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2x2b h VAL 8 Cb 0.66 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2x2b h VAL 8 CO 0.04 0.21 -0.14 0.74 0.02 0.00 0.00 177.57 178.45 2x2b h THR 9 N 0.53 1.27 -0.78 2.57 2.02 -0.91 -2.29 112.91 115.31 2x2b h THR 9 Ca 0.14 -1.25 0.04 0.00 0.77 0.00 0.00 66.41 66.11 2x2b h THR 9 Cb 0.16 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2x2b h THR 9 CO -0.01 0.43 0.49 0.50 0.37 0.00 0.00 175.52 177.30 2x2b h LYS 10 N 0.79 0.91 -0.26 6.66 3.64 -1.11 -1.38 116.57 125.83 2x2b h LYS 10 Ca 0.12 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2x2b h LYS 10 Cb 0.66 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2x2b h LYS 10 CO 0.05 0.60 -0.18 0.82 -2.27 0.00 0.00 179.45 178.47 2x2b h ILE 11 N 0.94 1.31 -0.32 2.00 2.04 -1.37 0.73 117.51 122.84 2x2b h ILE 11 Ca 0.32 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2x2b h ILE 11 Cb 0.06 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2x2b h ILE 11 CO -0.13 0.41 0.17 0.40 0.00 0.00 0.00 178.15 179.00 2x2b h ILE 12 N 0.30 1.13 -0.62 -0.67 2.04 -1.24 -0.19 117.51 118.27 2x2b h ILE 12 Ca 0.05 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2x2b h ILE 12 Cb 0.72 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2x2b h ILE 12 CO 0.05 0.14 0.38 0.58 0.00 0.00 0.00 178.15 179.30 2x2b h VAL 13 N 0.39 1.08 -0.29 1.67 2.07 -1.17 0.11 116.25 120.11 2x2b h VAL 13 Ca 0.11 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2x2b h VAL 13 Cb 0.06 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2x2b h VAL 13 CO -0.02 0.14 0.15 0.44 0.02 0.00 0.00 177.57 178.30 2x2b h ASP 14 N 0.76 0.23 0.16 0.57 3.32 -0.30 -2.18 116.42 118.98 2x2b h ASP 14 Ca 0.25 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 57.02 2x2b h ASP 14 Cb 0.01 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2x2b h ASP 14 CO -0.10 0.17 -1.41 0.03 -1.72 0.00 0.00 179.24 176.22 2x2b h ARG 15 N 0.32 0.35 0.00 3.56 2.47 -0.78 -3.38 114.38 116.91 2x2b h ARG 15 Ca 0.12 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2x2b h ARG 15 Cb 0.03 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2x2b h ARG 15 CO -0.08 1.28 -0.87 1.28 0.56 0.00 0.00 179.97 182.15 2x2b n LEU 16 N -3.84 0.75 -1.36 3.04 4.77 0.36 -4.99 117.00 115.73 2x2b n LEU 16 Ca -0.21 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 2x2b n LEU 16 Cb 0.97 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 2x2b n LEU 16 CO 0.49 0.17 -0.16 0.61 -1.33 0.00 0.00 177.39 177.17 2x2b n GLY 17 N 1.47 0.65 3.95 -0.72 0.00 -0.82 -4.98 105.19 104.74 2x2b n GLY 17 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2x2b n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x2b s VAL 18 N -2.62 4.08 0.48 1.61 -7.23 -1.26 -5.07 120.40 110.39 2x2b s VAL 18 Ca 0.00 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 2x2b s VAL 18 Cb 0.00 -3.50 -0.07 0.00 0.56 0.00 0.00 36.38 33.37 2x2b s VAL 18 CO 0.00 -0.35 1.17 -1.81 -0.31 0.00 0.00 175.10 173.81 2x2b s ASP 19 N -4.20 6.02 0.28 4.85 1.11 -1.26 -4.75 116.67 118.71 2x2b s ASP 19 Ca 0.48 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.53 2x2b s ASP 19 Cb -0.10 -2.60 0.54 0.00 1.07 0.00 0.00 42.92 41.83 2x2b s ASP 19 CO 0.38 -1.02 1.82 -0.08 1.18 0.00 0.00 175.17 177.44 2x2b h GLU 20 N 1.86 0.86 -0.17 8.23 4.81 -1.97 -1.36 114.58 126.84 2x2b h GLU 20 Ca -0.50 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2x2b h GLU 20 Cb 1.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2x2b h GLU 20 CO 0.59 0.57 0.27 0.00 -0.73 0.00 0.00 179.01 179.72 2x2b h ALA 21 N 1.54 1.69 -0.00 2.92 0.00 -2.03 -0.36 119.26 123.01 2x2b h ALA 21 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2x2b h ALA 21 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2x2b h ALA 21 CO -0.29 -0.36 -0.35 -0.25 0.00 0.00 0.00 179.25 178.01 2x2b n ASP 22 N -3.49 0.35 -3.75 0.00 8.00 -0.51 -4.50 116.55 112.65 2x2b n ASP 22 Ca 0.02 -0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 2x2b n ASP 22 Cb 0.38 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2x2b n ASP 22 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2x2b n VAL 23 N -1.49 4.37 -3.02 2.53 0.31 -0.15 -4.85 118.33 116.03 2x2b n VAL 23 Ca 0.06 -4.08 -0.28 0.00 -0.01 0.00 0.00 64.34 60.02 2x2b n VAL 23 Cb 0.34 -2.36 -0.02 0.00 -0.91 0.00 0.00 33.84 30.88 2x2b n VAL 23 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2x2b s LYS 24 N 0.62 3.65 0.26 5.55 1.02 -1.26 -5.01 119.74 124.58 2x2b s LYS 24 Ca 0.45 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.60 2x2b s LYS 24 Cb 0.12 -2.50 0.48 0.00 -0.52 0.00 0.00 37.83 35.41 2x2b s LYS 24 CO -0.03 0.03 1.81 -0.07 -0.92 0.00 0.00 175.35 176.17 2x2b h LEU 25 N 1.13 0.76 0.00 3.17 3.38 -1.93 -2.05 115.31 119.78 2x2b h LEU 25 Ca -0.47 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2x2b h LEU 25 Cb 1.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2x2b h LEU 25 CO 0.64 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.95 2x2b n GLU 26 N -4.71 0.06 -2.21 1.13 1.02 -1.26 -0.16 120.64 114.50 2x2b n GLU 26 Ca 0.16 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 2x2b n GLU 26 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2x2b n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x2b s ALA 27 N -2.93 3.60 0.07 0.62 0.00 -0.77 -4.87 121.76 117.49 2x2b s ALA 27 Ca 0.14 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 2x2b s ALA 27 Cb 0.16 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 2x2b s ALA 27 CO 0.43 -1.03 0.64 -1.54 0.00 0.00 0.00 175.76 174.27 2x2b s SER 28 N 2.13 7.13 0.22 0.00 1.04 -1.26 -1.67 113.70 121.29 2x2b s SER 28 Ca 0.64 1.34 -0.07 0.00 0.48 0.00 0.00 55.95 58.34 2x2b s SER 28 Cb -0.30 -2.40 0.29 0.00 0.10 0.00 0.00 66.02 63.70 2x2b s SER 28 CO 0.25 0.18 1.82 -0.26 0.98 0.00 0.00 173.24 176.22 2x2b h PHE 29 N 4.92 0.80 0.01 5.02 0.04 -1.59 0.02 116.94 126.17 2x2b h PHE 29 Ca -0.47 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 2x2b h PHE 29 Cb 1.21 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2x2b h PHE 29 CO 0.66 0.39 -0.01 0.87 -0.60 0.00 0.00 178.31 179.62 2x2b h LYS 30 N 0.79 -0.02 -0.02 1.51 1.57 -1.80 -0.56 116.57 118.05 2x2b h LYS 30 Ca 0.33 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 2x2b h LYS 30 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2x2b h LYS 30 CO -0.19 0.50 -0.77 0.93 -0.57 0.00 0.00 179.45 179.36 2x2b h GLU 31 N -0.99 0.19 0.00 3.15 5.08 -1.86 -3.28 114.58 116.87 2x2b h GLU 31 Ca -0.00 -0.17 -0.26 0.00 -1.00 0.00 0.00 59.36 57.93 2x2b h GLU 31 Cb 0.53 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2x2b h GLU 31 CO 0.00 0.87 -1.96 -0.25 -1.00 0.00 0.00 179.01 176.67 2x2b n ASP 32 N -3.73 2.03 -0.81 1.42 8.00 -0.06 -4.70 116.55 118.70 2x2b n ASP 32 Ca -0.03 -0.04 0.07 0.00 0.71 0.00 0.00 54.79 55.50 2x2b n ASP 32 Cb 0.73 0.39 0.19 0.00 -0.02 0.00 0.00 41.12 42.41 2x2b n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2x2b n LEU 33 N -2.71 3.15 0.00 0.64 4.77 -0.87 -4.98 117.00 117.00 2x2b n LEU 33 Ca -0.26 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 2x2b n LEU 33 Cb 0.90 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2x2b n LEU 33 CO 0.24 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2x2b n GLY 34 N 0.80 0.43 3.77 -0.72 0.00 -0.99 -4.91 105.19 103.56 2x2b n GLY 34 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2x2b n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2b s ALA 35 N -2.02 3.23 0.55 4.61 0.00 -0.25 -4.99 121.76 122.89 2x2b s ALA 35 Ca 0.00 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.05 2x2b s ALA 35 Cb 0.00 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.80 2x2b s ALA 35 CO 0.00 -0.52 0.63 -0.40 0.00 0.00 0.00 175.76 175.47 2x2b n ASP 36 N 0.30 2.27 -0.21 0.00 5.68 -1.26 -4.18 116.55 119.15 2x2b n ASP 36 Ca 0.03 -2.60 0.06 0.00 -0.50 0.00 0.00 54.79 51.78 2x2b n ASP 36 Cb 0.45 -0.27 0.33 0.00 -1.14 0.00 0.00 41.12 40.49 2x2b n ASP 36 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2x2b h SER 37 N 0.29 0.72 -0.45 -1.12 0.02 -1.99 -1.02 113.55 110.00 2x2b h SER 37 Ca -0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 2x2b h SER 37 Cb 1.21 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2x2b h SER 37 CO 0.43 0.46 0.09 -0.07 -1.14 0.00 0.00 176.83 176.60 2x2b h LEU 38 N 0.81 0.69 -0.64 5.07 3.38 -2.00 -2.46 115.31 120.16 2x2b h LEU 38 Ca 0.33 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2x2b h LEU 38 Cb 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2x2b h LEU 38 CO -0.11 0.76 0.37 0.44 0.09 0.00 0.00 178.44 179.98 2x2b h ASP 39 N 0.59 0.57 -0.38 -0.43 3.32 -1.61 -2.04 116.42 116.45 2x2b h ASP 39 Ca 0.14 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2x2b h ASP 39 Cb 0.35 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2x2b h ASP 39 CO 0.00 0.38 0.09 0.58 -1.72 0.00 0.00 179.24 178.58 2x2b h VAL 40 N 0.70 1.23 -0.55 -1.35 2.07 -1.12 0.24 116.25 117.47 2x2b h VAL 40 Ca 0.28 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2x2b h VAL 40 Cb 0.12 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2x2b h VAL 40 CO -0.15 0.27 0.26 0.58 0.02 0.00 0.00 177.57 178.55 2x2b h VAL 41 N 0.46 0.90 -0.55 2.57 2.07 -1.30 -1.21 116.25 119.20 2x2b h VAL 41 Ca 0.12 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2x2b h VAL 41 Cb 0.31 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2x2b h VAL 41 CO 0.00 0.09 0.35 -0.08 0.02 0.00 0.00 177.57 177.95 2x2b h GLU 42 N 0.49 0.74 -0.43 1.57 4.22 -0.69 -1.13 114.58 119.34 2x2b h GLU 42 Ca 0.26 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.66 2x2b h GLU 42 Cb 0.21 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2x2b h GLU 42 CO -0.20 0.51 0.26 -0.07 -2.18 0.00 0.00 179.01 177.32 2x2b h LEU 43 N 0.74 0.42 -0.69 1.64 3.38 0.13 -1.39 115.31 119.54 2x2b h LEU 43 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2x2b h LEU 43 Cb -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2x2b h LEU 43 CO -0.04 0.30 0.19 0.58 0.09 0.00 0.00 178.44 179.55 2x2b h VAL 44 N 0.52 1.26 -0.52 1.22 2.07 -0.84 0.11 116.25 120.06 2x2b h VAL 44 Ca 0.17 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2x2b h VAL 44 Cb 0.01 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2x2b h VAL 44 CO -0.08 0.36 0.32 0.24 0.02 0.00 0.00 177.57 178.43 2x2b h MET 45 N 1.02 0.61 -0.57 1.57 2.86 -0.94 0.89 114.93 120.38 2x2b h MET 45 Ca 0.22 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2x2b h MET 45 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2x2b h MET 45 CO -0.00 0.41 -0.05 1.49 1.06 0.00 0.00 176.91 179.81 2x2b h GLU 46 N 0.63 1.03 -0.48 1.72 4.81 -0.61 -2.50 114.58 119.19 2x2b h GLU 46 Ca 0.20 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 2x2b h GLU 46 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2x2b h GLU 46 CO -0.08 1.04 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.02 2x2b h LEU 47 N 0.93 0.97 -0.94 1.64 3.38 -0.31 -1.62 115.31 119.36 2x2b h LEU 47 Ca 0.16 -0.37 0.14 0.00 0.09 0.00 0.00 57.88 57.90 2x2b h LEU 47 Cb 0.61 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 2x2b h LEU 47 CO 0.04 1.12 0.56 -0.33 0.09 0.00 0.00 178.44 179.91 2x2b h GLU 48 N 0.81 0.79 0.18 1.13 5.08 -0.64 -2.29 114.58 119.63 2x2b h GLU 48 Ca 0.12 -0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 58.12 2x2b h GLU 48 Cb 0.71 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2x2b h GLU 48 CO 0.05 0.52 -1.47 -0.44 -1.00 0.00 0.00 179.01 176.68 2x2b h ASP 49 N 0.81 0.59 -0.63 1.42 3.32 -1.21 -0.93 116.42 119.80 2x2b h ASP 49 Ca 0.50 -0.70 0.05 0.00 0.02 0.00 0.00 57.03 56.89 2x2b h ASP 49 Cb 0.63 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 2x2b h ASP 49 CO -0.32 1.56 0.41 -0.08 -1.72 0.00 0.00 179.24 179.10 2x2b h GLU 50 N 0.10 0.67 -0.38 3.56 4.57 -1.13 -2.98 114.58 118.99 2x2b h GLU 50 Ca -0.23 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2x2b h GLU 50 Cb 2.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 2x2b h GLU 50 CO 0.22 0.44 0.00 1.19 -1.18 0.00 0.00 179.01 179.68 2x2b n PHE 51 N -4.47 0.66 -3.78 0.92 3.72 -0.88 -4.99 117.46 108.64 2x2b n PHE 51 Ca 0.08 -0.58 -0.24 0.00 -0.05 0.00 0.00 57.45 56.67 2x2b n PHE 51 Cb 0.18 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2x2b n PHE 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2x2b n ASP 52 N 0.44 -1.79 -4.03 4.37 10.43 -0.65 -4.97 116.55 120.36 2x2b n ASP 52 Ca 0.15 -0.84 -0.09 0.00 2.57 0.00 0.00 54.79 56.59 2x2b n ASP 52 Cb 0.56 -3.89 -0.11 0.00 1.84 0.00 0.00 41.12 39.52 2x2b n ASP 52 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2x2b s MET 53 N -6.18 0.45 -0.17 -1.24 0.23 -0.45 -5.05 119.30 106.88 2x2b s MET 53 Ca 0.14 -0.85 -0.05 0.00 -1.03 0.00 0.00 55.69 53.89 2x2b s MET 53 Cb -0.07 0.10 -0.03 0.00 -1.53 0.00 0.00 34.83 33.30 2x2b s MET 53 CO 0.83 -0.06 0.01 -2.00 -2.03 0.00 0.00 175.02 171.76 2x2b s GLU 54 N -2.38 3.78 -0.16 3.16 2.56 -1.26 -4.51 118.70 119.89 2x2b s GLU 54 Ca -0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 54.97 54.37 2x2b s GLU 54 Cb -0.03 -3.06 -0.04 0.00 2.00 0.00 0.00 34.13 32.99 2x2b s GLU 54 CO -0.04 0.22 0.10 0.42 -0.56 0.00 0.00 175.26 175.40 2x2b s ILE 55 N 0.47 5.15 0.71 -3.70 1.01 -1.26 -5.11 121.20 118.48 2x2b s ILE 55 Ca -0.01 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2x2b s ILE 55 Cb -0.14 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2x2b s ILE 55 CO 0.02 0.51 1.07 -0.94 0.00 0.00 0.00 174.94 175.60 2x2b s SER 56 N -0.12 5.11 0.15 3.58 1.04 -1.26 -4.86 113.70 117.35 2x2b s SER 56 Ca 0.09 1.70 -0.24 0.00 0.48 0.00 0.00 55.95 57.98 2x2b s SER 56 Cb -0.12 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2x2b s SER 56 CO 0.01 -1.63 1.61 0.44 0.98 0.00 0.00 173.24 174.64 2x2b h ASP 57 N -0.78 -1.01 -0.59 7.02 3.32 -1.99 -1.12 116.42 121.27 2x2b h ASP 57 Ca -0.44 0.17 0.11 0.00 0.02 0.00 0.00 57.03 56.89 2x2b h ASP 57 Cb 1.22 0.46 -0.09 0.00 0.22 0.00 0.00 39.33 41.14 2x2b h ASP 57 CO 0.55 -0.33 0.11 -0.08 -1.72 0.00 0.00 179.24 177.78 2x2b h GLU 58 N -0.30 0.24 -0.23 3.56 4.81 -2.01 -2.51 114.58 118.14 2x2b h GLU 58 Ca 0.14 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 2x2b h GLU 58 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2x2b h GLU 58 CO -0.46 0.16 -0.62 -0.44 -0.73 0.00 0.00 179.01 176.91 2x2b h ASP 59 N 0.24 0.92 -0.07 1.04 3.32 -1.90 -3.26 116.42 116.72 2x2b h ASP 59 Ca 0.31 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2x2b h ASP 59 Cb 0.46 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2x2b h ASP 59 CO -0.41 1.32 0.01 0.00 -1.72 0.00 0.00 179.24 178.44 2x2b h ALA 60 N 0.68 1.74 0.00 3.45 0.00 -0.94 -2.04 119.26 122.15 2x2b h ALA 60 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x2b h ALA 60 Cb 1.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2x2b h ALA 60 CO 0.13 0.20 -0.02 0.93 0.00 0.00 0.00 179.25 180.49 2x2b h GLU 61 N 0.21 0.00 -0.00 0.00 5.08 -1.49 -2.64 114.58 115.73 2x2b h GLU 61 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2x2b h GLU 61 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x2b h GLU 61 CO 0.00 0.02 -0.21 1.63 -1.00 0.00 0.00 179.01 179.45 2x2b n LYS 62 N -3.14 0.15 -2.42 2.33 5.02 -0.77 -4.65 118.16 114.69 2x2b n LYS 62 Ca -0.00 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.80 2x2b n LYS 62 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2x2b n LYS 62 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2x2b n ILE 63 N -1.38 3.97 0.09 -0.18 5.41 -1.00 -4.76 119.36 121.52 2x2b n ILE 63 Ca 0.08 -4.05 -0.22 0.00 1.00 0.00 0.00 62.75 59.57 2x2b n ILE 63 Cb 0.32 -2.44 -0.13 0.00 -0.71 0.00 0.00 39.64 36.69 2x2b n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x2b h ALA 64 N 6.75 0.02 -2.07 -1.39 0.00 -1.87 -3.48 119.26 117.22 2x2b h ALA 64 Ca 0.44 -0.77 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 2x2b h ALA 64 Cb 0.77 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 2x2b h ALA 64 CO 1.54 0.70 -0.66 0.95 0.00 0.00 0.00 179.25 181.78 2x2b s THR 65 N -3.00 2.79 0.21 0.00 -4.23 -1.26 -1.41 115.64 108.74 2x2b s THR 65 Ca -0.09 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.24 2x2b s THR 65 Cb 0.06 -2.68 0.17 0.00 1.34 0.00 0.00 72.50 71.40 2x2b s THR 65 CO 0.93 -0.30 1.70 0.58 -0.54 0.00 0.00 174.62 176.99 2x2b h VAL 66 N 1.96 0.61 -0.54 2.29 2.07 -1.31 -1.53 116.25 119.79 2x2b h VAL 66 Ca -0.42 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2x2b h VAL 66 Cb 1.25 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2x2b h VAL 66 CO 0.64 0.04 0.36 1.23 0.02 0.00 0.00 177.57 179.86 2x2b h GLY 67 N 0.24 0.76 1.02 2.17 0.00 -0.80 -1.74 103.07 104.72 2x2b h GLY 67 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2x2b h GLY 67 CO -0.43 0.27 0.30 -0.55 0.00 0.00 0.00 176.54 176.14 2x2b h ASP 68 N 0.73 0.98 -0.15 0.19 3.32 -1.53 0.12 116.42 120.08 2x2b h ASP 68 Ca 0.20 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2x2b h ASP 68 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2x2b h ASP 68 CO -0.04 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 2x2b h ALA 69 N 1.15 0.21 -0.87 3.45 0.00 -0.94 -2.43 119.26 119.83 2x2b h ALA 69 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x2b h ALA 69 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2x2b h ALA 69 CO -0.02 -0.09 0.52 0.28 0.00 0.00 0.00 179.25 179.93 2x2b h VAL 70 N 0.01 1.24 -0.68 0.00 2.07 -1.19 -2.30 116.25 115.40 2x2b h VAL 70 Ca 0.04 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2x2b h VAL 70 Cb 0.37 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2x2b h VAL 70 CO 0.01 0.26 0.39 0.78 0.02 0.00 0.00 177.57 179.02 2x2b h ASN 71 N 1.20 0.59 -0.01 0.57 2.35 -0.88 -0.03 115.58 119.36 2x2b h ASN 71 Ca 0.31 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2x2b h ASN 71 Cb -0.04 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2x2b h ASN 71 CO -0.06 0.38 0.00 0.22 -1.65 0.00 0.00 177.43 176.33 2x2b h TYR 72 N 0.72 0.01 -0.54 1.19 3.20 -1.06 -1.82 116.97 118.66 2x2b h TYR 72 Ca 0.30 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.27 2x2b h TYR 72 Cb 0.17 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 2x2b h TYR 72 CO -0.07 0.20 0.07 0.82 -1.64 0.00 0.00 178.16 177.54 2x2b h ILE 73 N -0.18 0.64 0.00 1.81 2.04 -1.25 -2.16 117.51 118.41 2x2b h ILE 73 Ca 0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2x2b h ILE 73 Cb 0.19 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2x2b h ILE 73 CO -0.00 0.04 -0.12 1.56 0.00 0.00 0.00 178.15 179.63 2x2b h GLN 74 N 0.19 0.00 -0.10 2.37 4.20 -0.79 -2.32 115.11 118.66 2x2b h GLN 74 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2x2b h GLN 74 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2x2b h GLN 74 CO -0.40 0.12 0.00 0.09 -0.67 0.00 0.00 178.83 177.97 2x2b n ASN 75 N -3.40 1.51 -0.55 1.46 3.02 -0.70 -5.08 115.26 111.50 2x2b n ASN 75 Ca -0.01 -1.60 0.07 0.00 -0.03 0.00 0.00 54.58 53.01 2x2b n ASN 75 Cb 0.30 -0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 2x2b n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64