#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s ILE 2 N 0.00 2.88 -0.27 2.02 1.01 -0.56 -1.44 121.20 124.85 2h1o s ILE 2 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2h1o s ILE 2 Cb 0.00 -2.15 0.06 0.00 0.01 0.00 0.00 42.46 40.38 2h1o s ILE 2 CO 0.00 0.56 -0.08 -0.22 0.00 0.00 0.00 174.94 175.20 2h1o s LEU 3 N -0.21 3.58 0.19 2.97 2.96 -0.39 -0.04 118.68 127.74 2h1o s LEU 3 Ca -0.00 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 2h1o s LEU 3 Cb -0.13 -1.58 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 2h1o s LEU 3 CO 0.03 -0.21 1.19 -0.76 -1.32 0.00 0.00 176.35 175.28 2h1o s LEU 4 N 1.12 4.46 0.33 -0.68 1.43 -1.02 -1.57 118.68 122.74 2h1o s LEU 4 Ca -0.08 2.23 -0.03 0.00 -1.03 0.00 0.00 54.13 55.23 2h1o s LEU 4 Cb -0.20 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2h1o s LEU 4 CO -0.04 -0.35 0.57 -0.62 0.23 0.00 0.00 176.35 176.13 2h1o s ASP 5 N 0.05 6.37 0.15 2.29 2.15 -0.93 -4.63 116.67 122.13 2h1o s ASP 5 Ca 0.52 0.64 -0.29 0.00 0.43 0.00 0.00 52.55 53.85 2h1o s ASP 5 Cb -0.32 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2h1o s ASP 5 CO 0.37 -0.26 1.55 0.74 -0.17 0.00 0.00 175.17 177.40 2h1o h THR 6 N 1.04 0.03 0.00 1.71 2.02 -1.91 0.75 112.91 116.55 2h1o h THR 6 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2h1o h THR 6 Cb 1.20 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2h1o h THR 6 CO 0.64 0.00 0.10 -0.55 0.37 0.00 0.00 175.52 176.08 2h1o h ASN 7 N -0.24 0.00 0.00 4.18 7.08 -1.94 -1.82 115.58 122.84 2h1o h ASN 7 Ca 0.14 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.29 2h1o h ASN 7 Cb 0.55 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.78 2h1o h ASN 7 CO -0.72 0.00 -0.54 0.58 -2.08 0.00 0.00 177.43 174.67 2h1o h VAL 8 N 0.00 0.68 -0.64 6.14 2.07 -1.16 -3.19 116.25 120.15 2h1o h VAL 8 Ca 0.00 -1.67 0.13 0.00 0.82 0.00 0.00 66.70 65.98 2h1o h VAL 8 Cb 0.20 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2h1o h VAL 8 CO 0.00 0.23 0.43 -0.29 0.02 0.00 0.00 177.57 177.96 2h1o h ILE 9 N -1.00 0.83 -0.04 4.57 6.09 -1.19 -1.15 117.51 125.62 2h1o h ILE 9 Ca -0.11 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2h1o h ILE 9 Cb 0.77 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.53 2h1o h ILE 9 CO -0.07 0.06 0.00 -1.54 -3.07 0.00 0.00 178.15 173.53 2h1o n SER 10 N -4.45 1.64 -0.02 2.19 3.41 -0.70 -4.38 113.62 111.30 2h1o n SER 10 Ca 0.11 -1.56 -0.12 0.00 -0.26 0.00 0.00 58.87 57.04 2h1o n SER 10 Cb 0.48 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 2h1o n SER 10 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h1o h GLU 11 N 2.51 0.13 -0.12 4.33 4.57 -1.19 -3.06 114.58 121.74 2h1o h GLU 11 Ca 0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2h1o h GLU 11 Cb 0.53 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2h1o h GLU 11 CO 0.00 0.31 0.11 -1.35 -1.18 0.00 0.00 179.01 176.90 2h1o h PRO 12 N -0.08 0.00 0.00 0.92 0.11 -1.76 -1.22 132.00 129.97 2h1o h PRO 12 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2h1o h PRO 12 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2h1o h PRO 12 CO 0.00 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.72 2h1o h LEU 13 N 0.00 0.00-10.35 2.35 3.38 -1.80 -3.44 115.31 105.44 2h1o h LEU 13 Ca 0.06 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.52 2h1o h LEU 13 Cb 0.28 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.14 2h1o h LEU 13 CO -0.00 0.00 0.34 -0.13 0.09 0.00 0.00 178.44 178.74 2h1o s ARG 14 N -3.33 2.40 0.15 1.13 0.52 -0.46 -4.98 118.95 114.38 2h1o s ARG 14 Ca 0.05 0.91 -0.21 0.00 -0.52 0.00 0.00 55.73 55.96 2h1o s ARG 14 Cb 0.10 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.67 2h1o s ARG 14 CO 0.47 -1.46 1.64 -1.35 0.02 0.00 0.00 175.30 174.62 2h1o h PRO 15 N -0.99 -0.18 -2.29 3.54 0.11 -1.88 -3.11 132.00 127.20 2h1o h PRO 15 Ca -0.45 0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 2h1o h PRO 15 Cb 1.24 0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 2h1o h PRO 15 CO 0.56 -0.12 -0.38 1.04 -0.21 0.00 0.00 178.00 178.89 2h1o n GLN 16 N -5.35 3.54 -1.60 1.05 1.13 -1.26 -5.08 117.38 109.81 2h1o n GLN 16 Ca -0.01 -4.82 -0.44 0.00 -1.94 0.00 0.00 57.00 49.79 2h1o n GLN 16 Cb 0.26 -2.28 -0.01 0.00 0.11 0.00 0.00 30.24 28.32 2h1o n GLN 16 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2h1o n PRO 17 N -0.13 1.41 -2.19 -1.09 -0.04 -1.18 -4.84 135.00 126.94 2h1o n PRO 17 Ca 0.33 0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 63.86 2h1o n PRO 17 Cb 0.37 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 2h1o n PRO 17 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2h1o s ASN 18 N -0.55 6.35 0.61 3.54 3.84 -1.26 -4.88 114.94 122.59 2h1o s ASN 18 Ca 0.58 1.38 0.38 0.00 0.21 0.00 0.00 52.86 55.42 2h1o s ASN 18 Cb -0.68 -2.53 2.00 0.00 -0.55 0.00 0.00 41.25 39.49 2h1o s ASN 18 CO 0.60 -1.32 2.24 -0.33 -2.79 0.00 0.00 177.10 175.50 2h1o h GLU 19 N 10.79 0.00 -0.23 0.43 5.08 -2.00 -1.78 114.58 126.88 2h1o h GLU 19 Ca -0.31 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 2h1o h GLU 19 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2h1o h GLU 19 CO 1.02 0.02 -0.46 -0.09 -1.00 0.00 0.00 179.01 178.51 2h1o h ARG 20 N 0.00 0.71 -0.32 2.33 9.65 -1.89 -1.55 114.38 123.30 2h1o h ARG 20 Ca -0.00 -0.46 -0.11 0.00 -1.10 0.00 0.00 59.98 58.31 2h1o h ARG 20 Cb 0.15 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2h1o h ARG 20 CO 0.00 1.09 -0.25 0.28 2.80 0.00 0.00 179.97 183.89 2h1o h VAL 21 N 0.43 1.27 -0.17 0.20 2.07 -1.45 -1.69 116.25 116.91 2h1o h VAL 21 Ca 0.01 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2h1o h VAL 21 Cb 1.06 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2h1o h VAL 21 CO 0.10 0.43 0.04 0.58 0.02 0.00 0.00 177.57 178.74 2h1o h VAL 22 N 0.56 1.21 -0.63 2.57 2.07 -1.39 -0.92 116.25 119.71 2h1o h VAL 22 Ca 0.08 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2h1o h VAL 22 Cb 0.72 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2h1o h VAL 22 CO 0.06 0.20 0.31 0.00 0.02 0.00 0.00 177.57 178.16 2h1o h ALA 23 N 0.84 0.84 -0.24 1.67 0.00 -1.10 -0.07 119.26 121.20 2h1o h ALA 23 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2h1o h ALA 23 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2h1o h ALA 23 CO 0.00 -0.06 0.12 2.35 0.00 0.00 0.00 179.25 181.66 2h1o h TRP 24 N 0.56 0.33 -0.32 0.00 7.01 -1.02 -1.67 115.95 120.85 2h1o h TRP 24 Ca 0.30 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.31 2h1o h TRP 24 Cb 0.26 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 2h1o h TRP 24 CO -0.11 0.31 0.22 -0.07 -2.79 0.00 0.00 178.44 176.00 2h1o h LEU 25 N 0.26 0.29 0.00 0.65 3.38 -0.65 0.12 115.31 119.35 2h1o h LEU 25 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2h1o h LEU 25 Cb 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2h1o h LEU 25 CO -0.01 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.19 2h1o n ASP 26 N -4.49 0.00 -0.85 -0.43 8.00 -0.09 -2.86 116.55 115.83 2h1o n ASP 26 Ca 0.03 -0.56 0.07 0.00 0.71 0.00 0.00 54.79 55.04 2h1o n ASP 26 Cb 0.15 -0.07 0.21 0.00 -0.02 0.00 0.00 41.12 41.39 2h1o n ASP 26 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2h1o n SER 27 N -1.07 3.39 -4.89 -2.24 3.41 0.40 -5.02 113.62 107.60 2h1o n SER 27 Ca 0.16 -2.22 -0.24 0.00 -0.26 0.00 0.00 58.87 56.31 2h1o n SER 27 Cb 0.10 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 2h1o n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h1o s LEU 28 N -1.40 4.11 -0.57 1.04 1.43 -1.13 -5.07 118.68 117.09 2h1o s LEU 28 Ca 0.32 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 2h1o s LEU 28 Cb 0.19 -2.67 0.09 0.00 0.03 0.00 0.00 46.19 43.83 2h1o s LEU 28 CO 0.17 0.01 0.70 -0.63 0.23 0.00 0.00 176.35 176.83 2h1o s ILE 29 N -1.87 4.80 0.45 -0.59 1.09 -1.26 -4.93 121.20 118.89 2h1o s ILE 29 Ca 0.33 -0.80 0.31 0.00 -1.10 0.00 0.00 60.65 59.40 2h1o s ILE 29 Cb -0.10 -4.45 0.51 0.00 -1.06 0.00 0.00 42.46 37.36 2h1o s ILE 29 CO 0.27 -1.05 1.65 0.25 -0.10 0.00 0.00 174.94 175.95 2h1o h LEU 30 N 9.99 0.22 0.00 2.97 5.85 -1.95 0.96 115.31 133.36 2h1o h LEU 30 Ca -0.29 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2h1o h LEU 30 Cb 1.09 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2h1o h LEU 30 CO 1.07 -0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 178.43 2h1o n GLU 31 N -4.57 0.60 0.00 1.25 4.71 -1.26 -2.32 120.64 119.05 2h1o n GLU 31 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 2h1o n GLU 31 Cb 1.42 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 30.69 2h1o n GLU 31 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2h1o n ASP 32 N -0.66 1.36 -4.29 1.62 8.00 0.33 -4.99 116.55 117.93 2h1o n ASP 32 Ca 0.05 -1.68 -0.33 0.00 0.71 0.00 0.00 54.79 53.54 2h1o n ASP 32 Cb 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 2h1o n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1o s VAL 33 N -0.68 2.71 0.48 2.53 1.01 -0.98 -1.49 120.40 123.97 2h1o s VAL 33 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2h1o s VAL 33 Cb 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2h1o s VAL 33 CO 0.00 0.52 0.33 -0.31 0.00 0.00 0.00 175.10 175.64 2h1o s TYR 34 N 0.63 2.15 -0.03 5.22 1.51 0.94 -4.95 117.35 122.81 2h1o s TYR 34 Ca -0.08 -0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 2h1o s TYR 34 Cb -0.16 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 2h1o s TYR 34 CO 0.03 -0.20 0.17 -0.51 -1.11 0.00 0.00 175.55 173.93 2h1o s LEU 35 N -4.13 1.41 0.11 -1.29 1.43 -0.97 -2.44 118.68 112.79 2h1o s LEU 35 Ca 0.38 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 2h1o s LEU 35 Cb -0.01 0.69 -0.07 0.00 0.03 0.00 0.00 46.19 46.83 2h1o s LEU 35 CO 0.22 -0.25 0.57 -0.55 0.23 0.00 0.00 176.35 176.58 2h1o s SER 36 N -0.77 6.97 0.26 2.29 0.15 -1.26 -0.23 113.70 121.12 2h1o s SER 36 Ca -0.09 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.75 2h1o s SER 36 Cb -0.05 -2.34 0.51 0.00 -1.71 0.00 0.00 66.02 62.43 2h1o s SER 36 CO 0.01 0.20 1.78 0.00 1.20 0.00 0.00 173.24 176.43 2h1o h ALA 37 N 4.11 1.28 -0.93 5.45 0.00 -0.80 0.50 119.26 128.87 2h1o h ALA 37 Ca -0.49 0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.60 2h1o h ALA 37 Cb 1.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2h1o h ALA 37 CO 0.64 -0.02 0.60 0.82 0.00 0.00 0.00 179.25 181.29 2h1o h ILE 38 N 0.69 0.91 -0.12 0.00 1.08 -1.92 0.40 117.51 118.56 2h1o h ILE 38 Ca 0.45 -0.30 -0.22 0.00 -0.39 0.00 0.00 64.86 64.40 2h1o h ILE 38 Cb 0.58 -0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.30 2h1o h ILE 38 CO -0.33 0.16 -0.80 0.74 -0.69 0.00 0.00 178.15 177.23 2h1o h THR 39 N 0.87 1.30 -0.51 -0.27 2.02 -0.52 -2.03 112.91 113.77 2h1o h THR 39 Ca 0.45 -2.06 -0.09 0.00 0.77 0.00 0.00 66.41 65.48 2h1o h THR 39 Cb 0.52 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2h1o h THR 39 CO -0.22 0.64 -0.06 0.58 0.37 0.00 0.00 175.52 176.84 2h1o h VAL 40 N 0.46 1.26 -0.48 3.16 2.07 0.47 -1.67 116.25 121.52 2h1o h VAL 40 Ca -0.06 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2h1o h VAL 40 Cb 1.43 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2h1o h VAL 40 CO 0.16 0.41 0.17 0.00 0.02 0.00 0.00 177.57 178.33 2h1o h ALA 41 N 1.10 1.41 -0.33 1.67 0.00 -0.17 0.28 119.26 123.21 2h1o h ALA 41 Ca 0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2h1o h ALA 41 Cb 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2h1o h ALA 41 CO 0.03 0.45 -0.48 1.49 0.00 0.00 0.00 179.25 180.74 2h1o h GLU 42 N 0.69 0.90 0.20 0.00 4.81 -0.84 -2.10 114.58 118.23 2h1o h GLU 42 Ca 0.16 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2h1o h GLU 42 Cb 0.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2h1o h GLU 42 CO -0.01 1.17 -0.10 0.52 -0.73 0.00 0.00 179.01 179.86 2h1o h MET 43 N 0.70 -0.26 -0.65 1.92 2.86 -0.77 -0.85 114.93 117.88 2h1o h MET 43 Ca 0.03 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.81 2h1o h MET 43 Cb 1.09 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 2h1o h MET 43 CO 0.11 -0.01 0.44 0.00 1.06 0.00 0.00 176.91 178.51 2h1o h ARG 44 N -0.48 0.36 -0.05 1.72 2.47 -0.99 0.00 114.38 117.42 2h1o h ARG 44 Ca -0.03 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.43 2h1o h ARG 44 Cb 0.37 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2h1o h ARG 44 CO 0.05 0.24 -0.94 1.25 0.56 0.00 0.00 179.97 181.13 2h1o h LEU 45 N 0.38 0.83 -0.94 3.04 5.85 -1.21 -1.31 115.31 121.94 2h1o h LEU 45 Ca 0.31 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2h1o h LEU 45 Cb 0.70 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2h1o h LEU 45 CO -0.09 1.42 0.61 1.23 -0.34 0.00 0.00 178.44 181.27 2h1o h GLY 46 N 0.66 1.38 0.58 3.75 0.00 0.45 0.19 103.07 110.08 2h1o h GLY 46 Ca -0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2h1o h GLY 46 CO 0.18 0.39 -0.04 -2.08 0.00 0.00 0.00 176.54 174.99 2h1o h VAL 47 N 1.18 1.14 -0.05 4.60 2.07 -1.23 -3.14 116.25 120.82 2h1o h VAL 47 Ca 0.38 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2h1o h VAL 47 Cb 0.01 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2h1o h VAL 47 CO -0.12 0.22 0.05 0.00 0.02 0.00 0.00 177.57 177.73 2h1o h ALA 48 N 0.31 1.70 -0.02 1.67 0.00 -0.69 -1.77 119.26 120.47 2h1o h ALA 48 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h1o h ALA 48 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2h1o h ALA 48 CO 0.02 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2h1o n LEU 49 N -4.00 0.31 -4.78 0.00 4.77 0.62 -4.87 117.00 109.05 2h1o n LEU 49 Ca -0.02 -0.12 -0.37 0.00 -0.03 0.00 0.00 56.01 55.47 2h1o n LEU 49 Cb 0.14 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2h1o n LEU 49 CO 0.29 0.06 0.60 -0.76 -1.33 0.00 0.00 177.39 176.25 2h1o s LEU 50 N -1.69 4.40 0.44 2.23 1.43 -0.67 -5.02 118.68 119.80 2h1o s LEU 50 Ca 0.33 1.77 -0.26 0.00 -1.03 0.00 0.00 54.13 54.95 2h1o s LEU 50 Cb 0.16 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 2h1o s LEU 50 CO 0.26 -0.00 1.45 0.18 0.23 0.00 0.00 176.35 178.47 2h1o n LEU 51 N 0.78 5.14 -4.74 1.79 4.32 -1.26 -4.89 117.00 118.14 2h1o n LEU 51 Ca 0.00 1.14 -0.41 0.00 -0.02 0.00 0.00 56.01 56.72 2h1o n LEU 51 Cb 0.50 -1.61 -0.02 0.00 -1.62 0.00 0.00 43.42 40.66 2h1o n LEU 51 CO 0.45 -0.07 1.12 0.20 -1.22 0.00 0.00 177.39 177.86 2h1o s ASN 52 N -0.41 6.64 0.00 -1.43 0.01 -1.26 -4.52 114.94 113.98 2h1o s ASN 52 Ca 0.60 2.66 0.00 0.00 -0.71 0.00 0.00 52.86 55.41 2h1o s ASN 52 Cb -0.45 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.59 2h1o s ASN 52 CO 0.58 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 2h1o n GLY 53 N 2.34 -1.47 0.37 0.66 0.00 -1.26 -4.98 105.19 100.85 2h1o n GLY 53 Ca 0.07 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 2h1o n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1o h LYS 54 N 0.00 1.21 0.11 1.61 1.57 -1.99 -2.70 116.57 116.38 2h1o h LYS 54 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2h1o h LYS 54 Cb 0.00 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 2h1o h LYS 54 CO 0.00 0.80 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.23 2h1o h LYS 55 N 1.25 -0.36 -0.98 3.15 3.64 -1.94 -0.13 116.57 121.20 2h1o h LYS 55 Ca 0.35 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.97 2h1o h LYS 55 Cb -0.11 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 2h1o h LYS 55 CO -0.08 -0.24 0.62 -0.22 -2.27 0.00 0.00 179.45 177.26 2h1o h LYS 56 N -0.37 0.53 -0.22 1.90 3.64 -1.77 -1.59 116.57 118.68 2h1o h LYS 56 Ca -0.01 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 2h1o h LYS 56 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2h1o h LYS 56 CO -0.09 0.35 -0.63 -0.91 -2.27 0.00 0.00 179.45 175.89 2h1o h ASN 57 N 0.55 0.89 -0.25 4.20 2.35 -1.08 -2.10 115.58 120.15 2h1o h ASN 57 Ca 0.55 -0.52 -0.19 0.00 -0.55 0.00 0.00 56.30 55.59 2h1o h ASN 57 Cb 1.16 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2h1o h ASN 57 CO -0.29 1.31 -0.57 0.58 -1.65 0.00 0.00 177.43 176.80 2h1o h VAL 58 N 0.58 1.28 -0.25 2.81 2.07 -0.43 -1.81 116.25 120.49 2h1o h VAL 58 Ca -0.01 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.76 2h1o h VAL 58 Cb 1.24 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2h1o h VAL 58 CO 0.13 0.57 0.13 0.25 0.02 0.00 0.00 177.57 178.68 2h1o h LEU 59 N 0.64 0.20 -0.28 2.57 5.85 -1.34 -0.64 115.31 122.31 2h1o h LEU 59 Ca 0.01 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2h1o h LEU 59 Cb 1.18 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2h1o h LEU 59 CO 0.13 0.15 0.11 -0.74 -0.34 0.00 0.00 178.44 177.75 2h1o h HIS 60 N 0.28 0.20 -0.32 1.25 2.76 -1.35 0.26 115.15 118.23 2h1o h HIS 60 Ca 0.10 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2h1o h HIS 60 Cb 0.02 -0.05 -0.08 0.00 1.55 0.00 0.00 27.41 28.85 2h1o h HIS 60 CO -0.09 0.09 -0.45 1.49 -1.30 0.00 0.00 177.93 177.68 2h1o h GLU 61 N 0.24 -0.38 0.59 5.26 4.57 -0.65 -1.11 114.58 123.10 2h1o h GLU 61 Ca 0.12 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2h1o h GLU 61 Cb 0.08 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2h1o h GLU 61 CO -0.11 -0.25 -0.31 0.00 -1.18 0.00 0.00 179.01 177.15 2h1o h ARG 62 N -0.39 -0.80 -1.00 1.92 2.47 -0.76 0.11 114.38 115.93 2h1o h ARG 62 Ca 0.11 0.05 0.37 0.00 -1.26 0.00 0.00 59.98 59.26 2h1o h ARG 62 Cb 0.60 0.18 -0.17 0.00 -1.65 0.00 0.00 29.97 28.94 2h1o h ARG 62 CO -0.53 -0.54 0.53 1.98 0.56 0.00 0.00 179.97 181.98 2h1o h MET 63 N -0.83 0.13 0.01 0.04 4.05 -0.05 0.77 114.93 119.06 2h1o h MET 63 Ca -0.08 -0.01 -0.34 0.00 -0.28 0.00 0.00 59.70 59.00 2h1o h MET 63 Cb 0.66 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.37 2h1o h MET 63 CO 0.11 0.09 -2.08 0.39 0.23 0.00 0.00 176.91 175.65 2h1o n GLU 64 N -5.18 0.67 -0.05 0.39 -0.58 -0.46 -1.49 120.64 113.94 2h1o n GLU 64 Ca 0.35 0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2h1o n GLU 64 Cb 1.14 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 30.21 2h1o n GLU 64 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2h1o n GLN 65 N -2.98 0.67 -0.03 3.49 1.13 0.37 -4.31 117.38 115.72 2h1o n GLN 65 Ca -0.27 0.18 -0.07 0.00 -1.94 0.00 0.00 57.00 54.90 2h1o n GLN 65 Cb 1.09 -1.66 -0.02 0.00 0.11 0.00 0.00 30.24 29.75 2h1o n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2h1o n SER 66 N -3.04 1.46 0.00 1.08 7.64 0.26 -4.64 113.62 116.39 2h1o n SER 66 Ca -0.27 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2h1o n SER 66 Cb 1.08 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2h1o n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h1o n ILE 67 N -3.95 0.00 -0.13 0.44 2.08 -0.72 -3.93 119.36 113.15 2h1o n ILE 67 Ca -0.12 1.20 0.21 0.00 0.56 0.00 0.00 62.75 64.61 2h1o n ILE 67 Cb 0.36 -2.17 0.62 0.00 -0.75 0.00 0.00 39.64 37.69 2h1o n ILE 67 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2h1o h LEU 68 N 0.00 0.17 -2.14 1.39 4.07 -1.48 -1.41 115.31 115.91 2h1o h LEU 68 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2h1o h LEU 68 Cb 0.00 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 2h1o h LEU 68 CO 0.00 0.08 -0.02 -0.65 -1.08 0.00 0.00 178.44 176.77 2h1o h PRO 69 N 0.18 0.00 0.00 1.13 0.11 -1.75 -2.31 132.00 129.35 2h1o h PRO 69 Ca 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.47 2h1o h PRO 69 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2h1o h PRO 69 CO -0.06 0.02 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.67 2h1o h LEU 70 N 0.00 0.00 -2.22 2.35 3.38 -1.37 -2.89 115.31 114.56 2h1o h LEU 70 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h1o h LEU 70 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2h1o h LEU 70 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 2h1o n PHE 71 N -3.09 0.28 -1.69 1.13 3.01 -0.88 -4.93 117.46 111.29 2h1o n PHE 71 Ca 0.01 -0.26 -0.51 0.00 1.01 0.00 0.00 57.45 57.69 2h1o n PHE 71 Cb 0.31 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 2h1o n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h1o n ALA 72 N 0.70 0.56 0.00 4.37 0.00 -1.09 0.81 120.51 125.85 2h1o n ALA 72 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2h1o n ALA 72 Cb 0.39 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2h1o n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 73 N 4.36 2.55 0.53 0.00 0.00 -1.26 -4.90 105.19 106.47 2h1o n GLY 73 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.33 2h1o n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1o n ARG 74 N -1.53 1.42 -3.34 1.61 1.74 0.24 -4.90 116.66 111.90 2h1o n ARG 74 Ca 0.00 -3.05 -0.46 0.00 -0.77 0.00 0.00 57.85 53.57 2h1o n ARG 74 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 2h1o n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h1o s ILE 75 N -2.96 5.38 0.31 0.55 1.01 -1.20 -2.28 121.20 122.01 2h1o s ILE 75 Ca 0.36 -2.13 -0.29 0.00 0.00 0.00 0.00 60.65 58.59 2h1o s ILE 75 Cb 0.35 -4.37 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 2h1o s ILE 75 CO -0.05 -0.96 1.56 -0.76 0.00 0.00 0.00 174.94 174.73 2h1o s LEU 76 N 0.69 4.34 0.29 2.97 1.43 0.69 -4.62 118.68 124.47 2h1o s LEU 76 Ca 0.12 2.97 -0.06 0.00 -1.03 0.00 0.00 54.13 56.13 2h1o s LEU 76 Cb -0.18 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 2h1o s LEU 76 CO -0.04 -0.90 0.58 -2.16 0.23 0.00 0.00 176.35 174.05 2h1o s PRO 77 N -0.89 3.68 -0.56 1.29 0.04 -1.26 -0.15 135.00 137.14 2h1o s PRO 77 Ca 0.61 0.11 -0.17 0.00 0.04 0.00 0.00 61.00 61.58 2h1o s PRO 77 Cb -0.47 -2.62 0.12 0.00 0.04 0.00 0.00 34.50 31.57 2h1o s PRO 77 CO 0.52 0.20 0.58 0.12 0.04 0.00 0.00 177.00 178.46 2h1o s PHE 78 N -2.07 3.15 0.10 0.56 5.36 -1.26 -4.93 117.98 118.90 2h1o s PHE 78 Ca 0.45 -1.17 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 2h1o s PHE 78 Cb -0.11 -3.88 0.01 0.00 -0.34 0.00 0.00 43.02 38.70 2h1o s PHE 78 CO 0.28 -1.13 0.07 -0.40 -1.46 0.00 0.00 175.22 172.58 2h1o n ASP 79 N 5.66 1.46 -0.02 6.13 5.68 -1.26 -4.95 116.55 129.26 2h1o n ASP 79 Ca -0.12 -1.37 -0.10 0.00 -0.50 0.00 0.00 54.79 52.70 2h1o n ASP 79 Cb 0.41 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.36 2h1o n ASP 79 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2h1o h GLU 80 N 0.00 -0.35 -0.07 0.11 4.22 -1.98 0.17 114.58 116.69 2h1o h GLU 80 Ca -0.07 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.43 2h1o h GLU 80 Cb 0.24 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2h1o h GLU 80 CO 0.11 -0.23 -0.23 -1.35 -2.18 0.00 0.00 179.01 175.13 2h1o h PRO 81 N -0.36 -0.31 -0.07 0.92 0.11 -2.00 0.08 132.00 130.38 2h1o h PRO 81 Ca 0.11 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.26 2h1o h PRO 81 Cb 0.53 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 2h1o h PRO 81 CO -0.37 -0.21 0.05 0.28 -0.21 0.00 0.00 178.00 177.54 2h1o h VAL 82 N -0.32 0.90 0.00 3.15 2.07 -1.85 -0.66 116.25 119.54 2h1o h VAL 82 Ca 0.08 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 2h1o h VAL 82 Cb 0.44 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2h1o h VAL 82 CO -0.25 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 176.88 2h1o h ALA 83 N 1.96 1.16 -0.13 1.67 0.00 0.13 -0.83 119.26 123.22 2h1o h ALA 83 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2h1o h ALA 83 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2h1o h ALA 83 CO -0.00 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2h1o h ALA 84 N 1.54 0.20 -0.04 0.00 0.00 -0.43 -2.66 119.26 117.87 2h1o h ALA 84 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2h1o h ALA 84 Cb 0.85 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2h1o h ALA 84 CO 0.06 0.13 -0.23 0.82 0.00 0.00 0.00 179.25 180.03 2h1o h ILE 85 N -0.04 0.46 -0.79 0.00 1.08 -1.15 -1.94 117.51 115.14 2h1o h ILE 85 Ca 0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 2h1o h ILE 85 Cb 0.76 0.46 -0.13 0.00 -3.07 0.00 0.00 36.82 34.84 2h1o h ILE 85 CO 0.04 0.00 -0.45 0.22 -0.69 0.00 0.00 178.15 177.27 2h1o h TYR 86 N -0.34 -1.34 -0.62 1.37 3.20 -1.14 0.58 116.97 118.68 2h1o h TYR 86 Ca 0.07 0.10 0.12 0.00 3.14 0.00 0.00 58.73 62.17 2h1o h TYR 86 Cb 0.44 0.70 -0.09 0.00 1.54 0.00 0.00 36.73 39.32 2h1o h TYR 86 CO -0.29 -0.41 0.10 0.00 -1.64 0.00 0.00 178.16 175.92 2h1o h ALA 87 N 0.83 0.71 0.60 1.82 0.00 -1.00 -0.12 119.26 122.09 2h1o h ALA 87 Ca 0.23 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2h1o h ALA 87 Cb 0.54 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2h1o h ALA 87 CO -0.83 -0.34 -0.29 0.37 0.00 0.00 0.00 179.25 178.17 2h1o h GLN 88 N 0.22 -0.77 -0.48 0.00 -0.00 -0.39 0.66 115.11 114.33 2h1o h GLN 88 Ca 0.33 0.05 0.05 0.00 -0.00 0.00 0.00 58.65 59.08 2h1o h GLN 88 Cb 0.51 0.18 -0.07 0.00 0.00 0.00 0.00 27.48 28.10 2h1o h GLN 88 CO -0.45 -0.51 -0.39 0.82 0.00 0.00 0.00 178.83 178.30 2h1o h ILE 89 N -0.86 0.00 -0.09 2.39 2.04 -0.75 0.33 117.51 120.57 2h1o h ILE 89 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2h1o h ILE 89 Cb 0.61 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2h1o h ILE 89 CO 0.13 0.00 0.05 0.03 0.00 0.00 0.00 178.15 178.36 2h1o h ARG 90 N -0.13 0.12 -0.70 2.37 3.08 -1.07 -2.21 114.38 115.84 2h1o h ARG 90 Ca 0.08 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2h1o h ARG 90 Cb 0.34 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 2h1o h ARG 90 CO -0.52 0.16 0.42 0.66 -1.07 0.00 0.00 179.97 179.61 2h1o h SER 91 N 0.06 0.65 0.07 7.04 4.64 -0.49 -1.63 113.55 123.89 2h1o h SER 91 Ca 0.03 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2h1o h SER 91 Cb 0.07 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2h1o h SER 91 CO -0.01 0.43 -0.07 0.22 -0.87 0.00 0.00 176.83 176.54 2h1o h TYR 92 N 0.79 -0.19 -0.62 4.77 3.20 0.00 -1.45 116.97 123.46 2h1o h TYR 92 Ca 0.30 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.29 2h1o h TYR 92 Cb 0.12 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.35 2h1o h TYR 92 CO -0.06 -0.09 -0.32 0.00 -1.64 0.00 0.00 178.16 176.05 2h1o h ALA 93 N -1.64 0.03 -0.74 1.82 0.00 -1.33 -1.00 119.26 116.40 2h1o h ALA 93 Ca -0.01 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2h1o h ALA 93 Cb 0.12 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2h1o h ALA 93 CO -0.01 -0.64 0.34 0.87 0.00 0.00 0.00 179.25 179.81 2h1o h LYS 94 N -0.14 0.52 -0.00 0.00 1.57 -0.60 0.22 116.57 118.14 2h1o h LYS 94 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2h1o h LYS 94 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2h1o h LYS 94 CO -0.70 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 178.77 2h1o n THR 95 N -4.93 0.00 -1.29 -0.16 -2.24 -0.41 -2.74 114.28 102.52 2h1o n THR 95 Ca 0.13 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 2h1o n THR 95 Cb 0.35 -0.09 0.09 0.00 -2.10 0.00 0.00 70.33 68.58 2h1o n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2h1o n HIS 96 N -0.58 0.00 0.00 4.78 8.25 0.68 -5.00 115.22 123.35 2h1o n HIS 96 Ca 0.04 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2h1o n HIS 96 Cb 0.02 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2h1o n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h1o n GLY 97 N -0.93 2.62 3.69 -1.41 0.00 -0.88 -5.02 105.19 103.25 2h1o n GLY 97 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2h1o n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1o s LYS 98 N -0.49 4.18 0.19 1.61 2.47 -0.59 -4.96 119.74 122.14 2h1o s LYS 98 Ca 0.00 0.02 -0.16 0.00 -1.56 0.00 0.00 55.97 54.27 2h1o s LYS 98 Cb 0.00 -3.49 -0.08 0.00 -1.46 0.00 0.00 37.83 32.80 2h1o s LYS 98 CO 0.00 0.10 0.62 -2.00 0.16 0.00 0.00 175.35 174.23 2h1o s GLU 99 N 0.92 4.08 -0.16 4.03 -6.30 -1.26 -1.92 118.70 118.08 2h1o s GLU 99 Ca 0.15 0.63 -0.01 0.00 -2.50 0.00 0.00 54.97 53.24 2h1o s GLU 99 Cb -0.14 -2.87 0.04 0.00 0.00 0.00 0.00 34.13 31.16 2h1o s GLU 99 CO 0.05 0.42 -0.03 0.42 0.02 0.00 0.00 175.26 176.14 2h1o s ILE 100 N -1.53 0.92 0.29 -3.70 -1.09 -1.26 -4.86 121.20 109.99 2h1o s ILE 100 Ca 0.41 -0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 2h1o s ILE 100 Cb -0.15 -1.16 -0.11 0.00 -1.58 0.00 0.00 42.46 39.46 2h1o s ILE 100 CO 0.20 0.08 1.46 0.00 -1.23 0.00 0.00 174.94 175.44 2h1o s ALA 101 N 1.71 3.62 0.27 9.38 0.00 -1.26 -4.74 121.76 130.74 2h1o s ALA 101 Ca 0.01 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 2h1o s ALA 101 Cb -0.15 -3.57 0.61 0.00 0.00 0.00 0.00 23.12 20.00 2h1o s ALA 101 CO -0.07 -0.83 1.65 0.00 0.00 0.00 0.00 175.76 176.51 2h1o h ALA 102 N 4.35 1.11 -0.41 0.00 0.00 -1.99 0.35 119.26 122.67 2h1o h ALA 102 Ca -0.48 0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2h1o h ALA 102 Cb 1.22 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2h1o h ALA 102 CO 0.74 -0.43 -0.34 0.00 0.00 0.00 0.00 179.25 179.21 2h1o h ALA 103 N 1.74 -0.20 -0.13 0.00 0.00 -2.01 -1.52 119.26 117.13 2h1o h ALA 103 Ca 0.50 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2h1o h ALA 103 Cb 0.95 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2h1o h ALA 103 CO -0.64 -0.74 0.03 -0.44 0.00 0.00 0.00 179.25 177.46 2h1o h ASP 104 N -0.26 0.20 -0.91 0.00 3.45 -0.83 -3.08 116.42 114.98 2h1o h ASP 104 Ca 0.17 -0.24 0.23 0.00 0.43 0.00 0.00 57.03 57.61 2h1o h ASP 104 Cb 0.55 -0.05 -0.13 0.00 -0.56 0.00 0.00 39.33 39.14 2h1o h ASP 104 CO -0.55 0.39 0.43 1.23 -1.57 0.00 0.00 179.24 179.16 2h1o h GLY 105 N -0.01 1.60 0.66 2.75 0.00 0.03 0.12 103.07 108.23 2h1o h GLY 105 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2h1o h GLY 105 CO 0.00 -0.27 -0.10 -0.97 0.00 0.00 0.00 176.54 175.20 2h1o h TYR 106 N 0.42 -0.25 0.15 5.60 0.99 -1.21 0.57 116.97 123.24 2h1o h TYR 106 Ca 0.58 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.31 2h1o h TYR 106 Cb 1.10 0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.95 2h1o h TYR 106 CO -0.12 -0.15 -0.07 0.82 -0.00 0.00 0.00 178.16 178.64 2h1o h ILE 107 N -0.14 0.93 -0.34 -2.88 1.08 -1.30 -2.35 117.51 112.51 2h1o h ILE 107 Ca 0.06 -0.31 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 2h1o h ILE 107 Cb 0.22 1.12 -0.08 0.00 -3.07 0.00 0.00 36.82 35.01 2h1o h ILE 107 CO -0.15 0.07 -0.30 0.00 -0.69 0.00 0.00 178.15 177.08 2h1o h ALA 108 N 0.49 -0.18 -0.53 1.87 0.00 -0.39 0.24 119.26 120.77 2h1o h ALA 108 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2h1o h ALA 108 Cb 0.27 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2h1o h ALA 108 CO 0.03 -0.71 0.30 0.00 0.00 0.00 0.00 179.25 178.87 2h1o h ALA 109 N 0.75 1.55 0.55 0.00 0.00 0.14 0.21 119.26 122.45 2h1o h ALA 109 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2h1o h ALA 109 Cb 0.52 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2h1o h ALA 109 CO -0.48 0.39 -0.27 1.15 0.00 0.00 0.00 179.25 180.04 2h1o h THR 110 N 0.72 0.29 -0.55 0.00 2.02 -0.61 -1.30 112.91 113.48 2h1o h THR 110 Ca 0.19 -0.38 0.11 0.00 0.77 0.00 0.00 66.41 67.10 2h1o h THR 110 Cb -0.01 0.40 -0.10 0.00 -1.74 0.00 0.00 68.15 66.70 2h1o h THR 110 CO -0.03 0.04 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 2h1o h ALA 111 N -0.80 0.42 -0.25 6.16 0.00 -0.27 -0.24 119.26 124.28 2h1o h ALA 111 Ca -0.08 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2h1o h ALA 111 Cb 0.64 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2h1o h ALA 111 CO 0.12 -0.42 0.21 -0.22 0.00 0.00 0.00 179.25 178.94 2h1o h LYS 112 N 0.03 0.00 0.00 0.00 3.64 -0.40 -1.42 116.57 118.42 2h1o h LYS 112 Ca 0.27 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2h1o h LYS 112 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2h1o h LYS 112 CO -0.54 0.00 -0.29 0.37 -2.27 0.00 0.00 179.45 176.72 2h1o h GLN 113 N 0.00 0.00 -0.11 1.90 4.15 0.17 -3.21 115.11 118.00 2h1o h GLN 113 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2h1o h GLN 113 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2h1o h GLN 113 CO -0.00 0.29 0.00 0.72 -1.93 0.00 0.00 178.83 177.91 2h1o n HIS 114 N -3.29 0.33 -3.61 3.99 8.25 -0.80 -4.99 115.22 115.10 2h1o n HIS 114 Ca 0.01 -0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 56.43 2h1o n HIS 114 Cb 0.55 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2h1o n HIS 114 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2h1o n SER 115 N -0.85 -5.61 -4.77 0.41 7.64 -0.71 -4.97 113.62 104.76 2h1o n SER 115 Ca 0.15 -0.75 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 2h1o n SER 115 Cb 0.65 -2.71 -0.06 0.00 -1.01 0.00 0.00 64.21 61.07 2h1o n SER 115 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2h1o s MET 116 N -4.60 2.31 -0.31 1.43 -1.94 -0.62 -4.98 119.30 110.59 2h1o s MET 116 Ca 0.05 -1.75 -0.07 0.00 -1.71 0.00 0.00 55.69 52.20 2h1o s MET 116 Cb -0.02 -2.09 0.01 0.00 2.01 0.00 0.00 34.83 34.74 2h1o s MET 116 CO 0.86 -0.12 0.10 0.99 -0.01 0.00 0.00 175.02 176.84 2h1o s THR 117 N -2.56 4.06 0.15 2.05 2.01 -0.52 -4.35 115.64 116.48 2h1o s THR 117 Ca 0.42 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2h1o s THR 117 Cb 0.02 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 2h1o s THR 117 CO 0.24 0.02 1.16 -0.69 -0.69 0.00 0.00 174.62 174.66 2h1o s VAL 118 N 1.50 3.80 -0.23 3.82 1.01 -0.40 -1.26 120.40 128.64 2h1o s VAL 118 Ca 0.02 1.47 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 2h1o s VAL 118 Cb -0.18 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2h1o s VAL 118 CO 0.03 0.21 0.04 0.00 0.00 0.00 0.00 175.10 175.38 2h1o s ALA 119 N 0.16 3.09 0.22 5.51 0.00 -0.61 -0.85 121.76 129.28 2h1o s ALA 119 Ca 0.53 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2h1o s ALA 119 Cb -0.31 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 20.89 2h1o s ALA 119 CO 0.34 -0.41 0.65 -0.08 0.00 0.00 0.00 175.76 176.26 2h1o s THR 120 N 1.46 0.00 -0.12 0.00 -1.32 -0.52 -2.18 115.64 112.96 2h1o s THR 120 Ca 0.05 -0.55 0.16 0.00 -1.21 0.00 0.00 61.69 60.14 2h1o s THR 120 Cb -0.15 -1.53 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 2h1o s THR 120 CO 0.02 -0.01 1.00 -0.09 -2.21 0.00 0.00 174.62 173.33 2h1o h ARG 121 N 2.02 0.00 -3.48 7.08 2.43 -1.92 -3.34 114.38 117.16 2h1o h ARG 121 Ca -0.26 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.20 2h1o h ARG 121 Cb 1.28 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.48 2h1o h ARG 121 CO 0.31 0.37 -0.23 -0.51 -1.51 0.00 0.00 179.97 178.40 2h1o s ASP 122 N -6.00 5.61 0.47 -3.80 1.01 -1.26 -4.92 116.67 107.79 2h1o s ASP 122 Ca -0.01 -3.20 0.29 0.00 0.71 0.00 0.00 52.55 50.34 2h1o s ASP 122 Cb 0.08 -1.90 0.92 0.00 1.01 0.00 0.00 42.92 43.04 2h1o s ASP 122 CO 0.79 -0.31 1.81 0.71 0.21 0.00 0.00 175.17 178.39 2h1o h THR 123 N 4.76 0.00 -0.00 -1.27 1.35 -1.98 -3.35 112.91 112.43 2h1o h THR 123 Ca 0.06 -0.68 0.03 0.00 -0.55 0.00 0.00 66.41 65.27 2h1o h THR 123 Cb 0.90 1.66 -0.05 0.00 -1.73 0.00 0.00 68.15 68.93 2h1o h THR 123 CO 0.77 0.00 -0.39 1.23 -0.25 0.00 0.00 175.52 176.88 2h1o h GLY 124 N 2.94 -0.70 0.01 5.82 0.00 -1.98 -0.61 103.07 108.55 2h1o h GLY 124 Ca 0.00 0.47 0.14 0.00 0.00 0.00 0.00 47.33 47.94 2h1o h GLY 124 CO 0.00 -0.24 0.12 1.76 0.00 0.00 0.00 176.54 178.18 2h1o h SER 125 N -0.54 -0.06 0.60 0.19 0.02 -1.89 -2.23 113.55 109.64 2h1o h SER 125 Ca 0.05 0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 2h1o h SER 125 Cb 0.63 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2h1o h SER 125 CO -0.30 -0.04 -0.80 -0.26 -1.14 0.00 0.00 176.83 174.28 2h1o h PHE 126 N 0.23 0.22 -0.83 3.45 -1.00 -1.59 -2.83 116.94 114.59 2h1o h PHE 126 Ca 0.36 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 61.03 2h1o h PHE 126 Cb 0.59 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 2h1o h PHE 126 CO -0.28 0.89 0.50 0.74 -1.61 0.00 0.00 178.31 178.55 2h1o h PHE 127 N 0.09 1.08 -0.92 -0.55 0.04 -0.75 -2.11 116.94 113.83 2h1o h PHE 127 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2h1o h PHE 127 Cb 1.40 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 2h1o h PHE 127 CO 0.02 0.72 0.55 0.00 -0.60 0.00 0.00 178.31 179.00 2h1o h ALA 128 N 1.41 1.25 -0.00 2.45 0.00 -1.24 -1.87 119.26 121.27 2h1o h ALA 128 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2h1o h ALA 128 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2h1o h ALA 128 CO -0.06 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2h1o n ALA 129 N -2.40 2.56 -3.32 0.00 0.00 -0.84 -4.82 120.51 111.70 2h1o n ALA 129 Ca 0.10 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 2h1o n ALA 129 Cb 0.06 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.40 2h1o n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h1o n ASP 130 N -0.67 -6.23 -3.85 0.00 4.64 -0.70 -4.95 116.55 104.80 2h1o n ASP 130 Ca 0.08 -0.75 -0.22 0.00 -1.38 0.00 0.00 54.79 52.53 2h1o n ASP 130 Cb 0.04 -4.97 -0.17 0.00 -1.04 0.00 0.00 41.12 34.98 2h1o n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2h1o s VAL 131 N -3.40 0.51 0.14 5.18 1.01 -0.92 -5.00 120.40 117.91 2h1o s VAL 131 Ca 0.44 -0.04 -0.34 0.00 0.00 0.00 0.00 61.98 62.03 2h1o s VAL 131 Cb -0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 36.38 35.56 2h1o s VAL 131 CO 0.76 0.25 1.16 0.00 0.00 0.00 0.00 175.10 177.27 2h1o n ALA 132 N 4.51 -1.18 -2.39 5.51 0.00 -1.26 -4.39 120.51 121.31 2h1o n ALA 132 Ca -0.17 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 2h1o n ALA 132 Cb 0.50 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 2h1o n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h1o s VAL 133 N -0.06 0.82 -0.10 0.00 0.11 -1.26 -1.28 120.40 118.63 2h1o s VAL 133 Ca 0.77 -1.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.06 2h1o s VAL 133 Cb -0.92 -1.43 0.05 0.00 -1.53 0.00 0.00 36.38 32.56 2h1o s VAL 133 CO 0.52 -0.67 0.21 0.12 -3.33 0.00 0.00 175.10 171.94 2h1o s PHE 134 N -2.84 -0.29 -0.47 1.54 5.36 -0.03 -4.91 117.98 116.33 2h1o s PHE 134 Ca 0.07 0.76 -0.18 0.00 -0.96 0.00 0.00 56.93 56.62 2h1o s PHE 134 Cb -0.00 -0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.61 2h1o s PHE 134 CO -0.02 -0.29 0.52 1.21 -1.46 0.00 0.00 175.22 175.19 2h1o s ASN 135 N 2.08 6.20 0.00 6.13 3.84 -1.25 -1.44 114.94 130.50 2h1o s ASN 135 Ca -0.01 -0.92 0.13 0.00 0.21 0.00 0.00 52.86 52.27 2h1o s ASN 135 Cb -0.12 -2.25 0.77 0.00 -0.55 0.00 0.00 41.25 39.10 2h1o s ASN 135 CO -0.07 -0.75 1.22 -0.81 -2.79 0.00 0.00 177.10 173.90 2h1o n PRO 136 N 5.81 0.57 0.00 0.43 -0.04 -1.26 -2.39 135.00 138.12 2h1o n PRO 136 Ca -0.08 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 2h1o n PRO 136 Cb 0.46 -1.35 0.76 0.00 -0.04 0.00 0.00 33.50 33.32 2h1o n PRO 136 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2h1o n TRP 137 N -0.85 0.00 -2.89 0.54 8.01 -1.26 -3.88 117.44 117.11 2h1o n TRP 137 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2h1o n TRP 137 Cb 0.04 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.24 2h1o n TRP 137 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2h1o n HIS 138 N -0.87 -0.32 -2.71 -5.99 8.25 -1.00 -4.95 115.22 107.63 2h1o n HIS 138 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2h1o n HIS 138 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2h1o n HIS 138 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2h1o n LEU 139 N 0.00 0.00 0.00 2.41 4.77 -1.26 -4.95 117.00 117.97 2h1o n LEU 139 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2h1o n LEU 139 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2h1o n LEU 139 CO 0.00 -0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.43