#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4h s SER 11 N 0.00 5.35 0.26 1.96 1.04 -1.26 -4.91 113.70 116.14 2x4h s SER 11 Ca 0.00 0.77 0.11 0.00 0.48 0.00 0.00 55.95 57.31 2x4h s SER 11 Cb 0.00 -1.62 0.30 0.00 0.10 0.00 0.00 66.02 64.80 2x4h s SER 11 CO 0.00 -1.28 1.58 0.03 0.98 0.00 0.00 173.24 174.55 2x4h h ARG 12 N -0.42 0.00 -0.15 4.02 3.08 -1.97 -1.65 114.38 117.29 2x4h h ARG 12 Ca -0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 2x4h h ARG 12 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2x4h h ARG 12 CO 0.62 0.65 -0.02 0.00 -1.07 0.00 0.00 179.97 180.14 2x4h h ARG 13 N 0.00 0.28 -0.99 0.04 3.08 -2.00 -1.84 114.38 112.95 2x4h h ARG 13 Ca -0.01 -0.10 0.16 0.00 0.07 0.00 0.00 59.98 60.10 2x4h h ARG 13 Cb 1.17 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.11 2x4h h ARG 13 CO 0.08 0.55 0.62 0.93 -1.07 0.00 0.00 179.97 181.08 2x4h h GLU 14 N -0.01 0.80 -0.80 0.04 5.08 -1.95 -2.38 114.58 115.35 2x4h h GLU 14 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2x4h h GLU 14 Cb 0.44 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2x4h h GLU 14 CO 0.01 0.53 0.42 0.35 -1.00 0.00 0.00 179.01 179.32 2x4h h PHE 15 N 0.82 1.12 -0.02 4.33 3.57 -0.95 -1.37 116.94 124.44 2x4h h PHE 15 Ca 0.54 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 62.02 2x4h h PHE 15 Cb 0.76 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2x4h h PHE 15 CO -0.00 0.79 -0.14 0.77 -2.23 0.00 0.00 178.31 177.50 2x4h h SER 16 N 1.12 -0.41 -0.56 0.41 0.02 -0.84 -1.07 113.55 112.23 2x4h h SER 16 Ca 0.28 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.40 2x4h h SER 16 Cb 0.06 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.69 2x4h h SER 16 CO -0.04 -0.19 0.07 1.88 -1.14 0.00 0.00 176.83 177.41 2x4h h TYR 17 N -0.22 0.10 -0.19 3.45 -1.99 -1.07 -0.87 116.97 116.19 2x4h h TYR 17 Ca 0.06 0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.71 2x4h h TYR 17 Cb 0.29 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 2x4h h TYR 17 CO -0.21 -0.07 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.46 2x4h h LEU 18 N 0.20 0.41 -0.55 3.88 3.38 -0.98 -0.87 115.31 120.77 2x4h h LEU 18 Ca 0.29 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2x4h h LEU 18 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2x4h h LEU 18 CO -0.41 0.74 -0.49 -0.07 0.09 0.00 0.00 178.44 178.30 2x4h h LEU 19 N 0.34 0.66 0.12 1.67 3.38 -0.53 -0.23 115.31 120.71 2x4h h LEU 19 Ca 0.04 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2x4h h LEU 19 Cb 0.79 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2x4h h LEU 19 CO 0.06 1.03 -0.06 0.74 0.09 0.00 0.00 178.44 180.31 2x4h h THR 20 N 0.48 1.06 -0.90 0.22 2.02 -0.99 -2.48 112.91 112.32 2x4h h THR 20 Ca 0.02 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.46 2x4h h THR 20 Cb 1.02 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.93 2x4h h THR 20 CO 0.10 0.19 0.56 0.40 0.37 0.00 0.00 175.52 177.14 2x4h h ILE 21 N -0.56 1.00 -0.69 3.11 2.04 -1.17 -2.28 117.51 118.96 2x4h h ILE 21 Ca -0.02 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2x4h h ILE 21 Cb 0.44 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2x4h h ILE 21 CO 0.03 0.18 0.14 0.50 0.00 0.00 0.00 178.15 179.00 2x4h h LYS 22 N 0.98 1.13 -0.75 2.37 3.64 -1.04 -1.78 116.57 121.11 2x4h h LYS 22 Ca 0.41 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2x4h h LYS 22 Cb 0.26 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2x4h h LYS 22 CO -0.20 1.01 0.46 -0.09 -2.27 0.00 0.00 179.45 178.36 2x4h h ARG 23 N 1.06 0.86 -0.33 1.90 2.43 -0.93 0.70 114.38 120.08 2x4h h ARG 23 Ca 0.21 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2x4h h ARG 23 Cb 0.41 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2x4h h ARG 23 CO 0.01 0.57 -0.05 1.88 -1.51 0.00 0.00 179.97 180.87 2x4h h TYR 24 N 0.89 0.68 -0.46 2.20 -1.99 -1.38 -2.73 116.97 114.18 2x4h h TYR 24 Ca 0.31 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 2x4h h TYR 24 Cb 0.06 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.60 2x4h h TYR 24 CO -0.04 0.76 0.15 -0.91 -0.00 0.00 0.00 178.16 178.12 2x4h h ASN 25 N 0.40 0.62 -0.56 3.88 -0.26 -0.50 -2.16 115.58 117.01 2x4h h ASN 25 Ca 0.09 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 2x4h h ASN 25 Cb 0.52 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 2x4h h ASN 25 CO 0.03 0.60 0.17 0.44 -1.06 0.00 0.00 177.43 177.60 2x4h h ASP 26 N 0.67 0.83 1.16 5.81 3.32 0.50 -2.22 116.42 126.48 2x4h h ASP 26 Ca 0.16 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2x4h h ASP 26 Cb 0.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2x4h h ASP 26 CO -0.01 0.82 0.00 0.77 -1.72 0.00 0.00 179.24 179.10 2x4h h SER 27 N 0.79 0.00 0.00 6.45 4.64 -1.32 -3.47 113.55 120.64 2x4h h SER 27 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2x4h h SER 27 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2x4h h SER 27 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2x4h n GLY 28 N 0.33 0.76 3.58 -0.77 0.00 -0.84 -5.12 105.19 103.12 2x4h n GLY 28 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2x4h n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x4h s GLU 29 N -1.44 0.49 0.18 1.61 2.56 -0.86 -5.00 118.70 116.25 2x4h s GLU 29 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 54.97 54.67 2x4h s GLU 29 Cb 0.00 0.23 -0.08 0.00 2.00 0.00 0.00 34.13 36.28 2x4h s GLU 29 CO 0.00 -0.18 1.05 0.20 -0.56 0.00 0.00 175.26 175.77 2x4h s GLY 30 N -1.53 2.94 0.07 -1.50 0.00 -1.26 -2.22 107.32 103.82 2x4h s GLY 30 Ca 0.03 0.75 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 2x4h s GLY 30 CO -0.03 1.53 1.18 0.00 0.00 0.00 0.00 173.10 175.79 2x4h s ALA 31 N -0.42 3.38 0.26 3.20 0.00 -0.09 -4.50 121.76 123.59 2x4h s ALA 31 Ca 0.47 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2x4h s ALA 31 Cb -0.28 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 2x4h s ALA 31 CO 0.34 -0.41 0.94 0.15 0.00 0.00 0.00 175.76 176.78 2x4h s LYS 32 N 0.89 4.80 0.28 0.00 -0.14 -1.26 -2.17 119.74 122.14 2x4h s LYS 32 Ca 0.58 1.45 0.02 0.00 -1.36 0.00 0.00 55.97 56.66 2x4h s LYS 32 Cb -0.29 -3.17 0.62 0.00 -1.68 0.00 0.00 37.83 33.30 2x4h s LYS 32 CO 0.30 0.47 1.76 0.82 -0.76 0.00 0.00 175.35 177.94 2x4h h ILE 33 N 3.03 0.71 -0.44 2.17 1.08 -1.97 -1.41 117.51 120.67 2x4h h ILE 33 Ca -0.45 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 63.69 2x4h h ILE 33 Cb 1.20 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2x4h h ILE 33 CO 0.67 0.12 -0.10 0.78 -0.69 0.00 0.00 178.15 178.93 2x4h h ASN 34 N 0.67 0.86 -0.53 1.72 2.35 -1.94 -2.72 115.58 115.98 2x4h h ASN 34 Ca 0.51 -0.36 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2x4h h ASN 34 Cb 0.77 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2x4h h ASN 34 CO -0.38 1.02 -0.08 0.03 -1.65 0.00 0.00 177.43 176.37 2x4h h ARG 35 N 0.68 1.01 -0.47 0.81 2.47 -1.81 -2.01 114.38 115.07 2x4h h ARG 35 Ca 0.11 -0.35 0.03 0.00 -1.26 0.00 0.00 59.98 58.51 2x4h h ARG 35 Cb 0.64 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 2x4h h ARG 35 CO 0.04 1.04 0.24 0.82 0.56 0.00 0.00 179.97 182.67 2x4h h ILE 36 N 0.91 0.98 -0.09 2.04 2.04 -1.26 -0.76 117.51 121.37 2x4h h ILE 36 Ca 0.15 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2x4h h ILE 36 Cb 0.63 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2x4h h ILE 36 CO 0.04 0.09 0.05 0.00 0.00 0.00 0.00 178.15 178.33 2x4h h ALA 37 N 1.24 0.11 0.12 1.87 0.00 -1.31 -0.98 119.26 120.31 2x4h h ALA 37 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2x4h h ALA 37 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2x4h h ALA 37 CO -0.13 -0.38 -0.49 -0.22 0.00 0.00 0.00 179.25 178.03 2x4h h LYS 38 N 0.09 -0.68 -0.79 0.00 3.64 -1.18 0.30 116.57 117.96 2x4h h LYS 38 Ca 0.03 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2x4h h LYS 38 Cb 0.02 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2x4h h LYS 38 CO -0.01 -0.45 0.52 -0.44 -2.27 0.00 0.00 179.45 176.80 2x4h h ASP 39 N -0.70 0.89 0.57 4.20 3.32 -1.03 -2.41 116.42 121.26 2x4h h ASP 39 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2x4h h ASP 39 Cb 0.70 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2x4h h ASP 39 CO -0.26 0.64 -0.27 0.18 -1.72 0.00 0.00 179.24 177.81 2x4h n LEU 40 N -4.55 0.42 -3.51 1.55 4.77 -0.38 -4.97 117.00 110.32 2x4h n LEU 40 Ca 0.08 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 2x4h n LEU 40 Cb 0.02 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2x4h n LEU 40 CO 0.36 0.09 -0.00 0.29 -1.33 0.00 0.00 177.39 176.80 2x4h n LYS 41 N -1.30 -3.98 -4.34 3.23 4.76 0.99 -5.03 118.16 112.48 2x4h n LYS 41 Ca 0.08 0.71 -0.20 0.00 -2.87 0.00 0.00 58.31 56.04 2x4h n LYS 41 Cb 0.33 -5.35 -0.13 0.00 -1.84 0.00 0.00 35.03 28.04 2x4h n LYS 41 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2x4h s ILE 42 N -3.49 1.07 0.41 -0.18 1.01 -0.77 -5.05 121.20 114.20 2x4h s ILE 42 Ca 0.20 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 2x4h s ILE 42 Cb -0.04 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.36 2x4h s ILE 42 CO 0.78 -0.00 1.44 0.00 0.00 0.00 0.00 174.94 177.16 2x4h s ALA 43 N -0.84 3.38 0.34 9.38 0.00 -1.26 -4.53 121.76 128.23 2x4h s ALA 43 Ca 0.01 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.51 2x4h s ALA 43 Cb -0.08 -3.59 0.70 0.00 0.00 0.00 0.00 23.12 20.15 2x4h s ALA 43 CO 0.01 -1.10 1.93 -1.35 0.00 0.00 0.00 175.76 175.25 2x4h h PRO 44 N 2.65 0.80 0.00 0.00 0.11 -1.93 -2.09 132.00 131.54 2x4h h PRO 44 Ca -0.51 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 2x4h h PRO 44 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2x4h h PRO 44 CO 0.63 0.53 -0.26 0.66 -0.21 0.00 0.00 178.00 179.34 2x4h h SER 45 N 0.82 0.00 -0.21 -2.05 4.64 -1.97 -0.06 113.55 114.72 2x4h h SER 45 Ca 0.36 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.48 2x4h h SER 45 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2x4h h SER 45 CO -0.14 0.26 -0.63 0.28 -0.87 0.00 0.00 176.83 175.73 2x4h h SER 46 N 0.00 0.92 -0.29 4.97 0.02 -1.76 -2.85 113.55 114.56 2x4h h SER 46 Ca -0.00 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2x4h h SER 46 Cb 0.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2x4h h SER 46 CO 0.03 1.35 0.12 0.58 -1.14 0.00 0.00 176.83 177.77 2x4h h VAL 47 N 0.55 1.18 -0.09 2.27 2.07 -1.00 -0.50 116.25 120.72 2x4h h VAL 47 Ca -0.02 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.00 2x4h h VAL 47 Cb 1.26 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2x4h h VAL 47 CO 0.14 0.18 -0.18 0.15 0.02 0.00 0.00 177.57 177.88 2x4h h PHE 48 N 0.32 -0.47 -0.83 1.57 3.57 -1.12 0.11 116.94 120.09 2x4h h PHE 48 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2x4h h PHE 48 Cb 0.18 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2x4h h PHE 48 CO -0.01 -0.26 0.47 1.49 -2.23 0.00 0.00 178.31 177.78 2x4h h GLU 49 N -0.24 1.15 -0.21 1.11 4.57 -1.39 -2.49 114.58 117.08 2x4h h GLU 49 Ca 0.09 -0.13 -0.20 0.00 -1.18 0.00 0.00 59.36 57.94 2x4h h GLU 49 Cb 0.37 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2x4h h GLU 49 CO -0.24 0.84 -0.67 1.49 -1.18 0.00 0.00 179.01 179.25 2x4h h GLU 50 N 1.16 0.82 -1.00 1.92 4.57 -0.81 -2.94 114.58 118.30 2x4h h GLU 50 Ca 0.30 -0.61 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2x4h h GLU 50 Cb 0.01 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2x4h h GLU 50 CO -0.05 1.22 0.65 0.28 -1.18 0.00 0.00 179.01 179.93 2x4h h VAL 51 N 0.58 1.26 -0.12 0.32 2.07 -0.66 0.12 116.25 119.82 2x4h h VAL 51 Ca -0.02 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2x4h h VAL 51 Cb 1.29 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2x4h h VAL 51 CO 0.14 0.25 -0.21 0.77 0.02 0.00 0.00 177.57 178.54 2x4h h SER 52 N 1.36 0.19 0.92 0.57 4.64 -1.41 0.19 113.55 120.00 2x4h h SER 52 Ca 0.36 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.43 2x4h h SER 52 Cb -0.14 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2x4h h SER 52 CO -0.08 0.42 -0.95 0.45 -0.87 0.00 0.00 176.83 175.79 2x4h h HIS 53 N 0.18 0.03 -0.02 4.77 -0.00 -1.27 -0.38 115.15 118.46 2x4h h HIS 53 Ca 0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2x4h h HIS 53 Cb 0.49 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2x4h h HIS 53 CO 0.01 0.96 0.01 -0.07 -0.00 0.00 0.00 177.93 178.84 2x4h h LEU 54 N 0.01 0.00 0.09 2.43 3.38 -0.01 -0.32 115.31 120.89 2x4h h LEU 54 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 2x4h h LEU 54 Cb 1.68 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.45 2x4h h LEU 54 CO 0.13 0.00 -1.05 -0.08 0.09 0.00 0.00 178.44 177.53 2x4h h GLU 55 N 0.00 0.55 -0.40 1.13 4.81 -0.40 -0.78 114.58 119.48 2x4h h GLU 55 Ca 0.01 -0.71 -0.04 0.00 -0.13 0.00 0.00 59.36 58.49 2x4h h GLU 55 Cb 0.04 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2x4h h GLU 55 CO -0.00 1.31 0.09 0.93 -0.73 0.00 0.00 179.01 180.61 2x4h h GLU 56 N 0.12 0.59 0.00 1.92 5.08 -0.75 -0.17 114.58 121.37 2x4h h GLU 56 Ca -0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2x4h h GLU 56 Cb 1.75 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2x4h h GLU 56 CO 0.20 0.55 0.00 1.63 -1.00 0.00 0.00 179.01 180.39 2x4h n LYS 57 N -4.32 0.08 -1.07 2.33 5.02 -0.16 -4.91 118.16 115.12 2x4h n LYS 57 Ca 0.02 0.21 -0.02 0.00 -2.02 0.00 0.00 58.31 56.51 2x4h n LYS 57 Cb 0.20 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x4h n GLY 58 N 0.57 0.57 0.08 0.72 0.00 -0.08 -4.92 105.19 102.14 2x4h n GLY 58 Ca 0.04 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.42 2x4h n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x4h h LEU 59 N 0.00 0.00 -8.27 0.99 3.38 -1.37 -3.44 115.31 106.60 2x4h h LEU 59 Ca -0.05 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 2x4h h LEU 59 Cb 0.18 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 2x4h h LEU 59 CO 0.07 0.07 -0.69 0.68 0.09 0.00 0.00 178.44 178.67 2x4h s VAL 60 N -3.23 0.34 -0.08 1.22 -7.23 -1.01 -2.35 120.40 108.05 2x4h s VAL 60 Ca 0.04 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2x4h s VAL 60 Cb 0.12 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.66 2x4h s VAL 60 CO 0.75 -0.90 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.80 2x4h s LYS 61 N -3.61 1.40 0.05 4.82 2.47 -0.53 -4.25 119.74 120.09 2x4h s LYS 61 Ca 0.06 -0.25 -0.16 0.00 -1.56 0.00 0.00 55.97 54.05 2x4h s LYS 61 Cb 0.05 -1.36 -0.06 0.00 -1.46 0.00 0.00 37.83 35.00 2x4h s LYS 61 CO -0.08 -0.14 0.48 0.21 0.16 0.00 0.00 175.35 175.98 2x4h s LYS 62 N 1.26 4.02 0.30 4.03 2.20 -1.26 -1.83 119.74 128.47 2x4h s LYS 62 Ca -0.04 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 2x4h s LYS 62 Cb -0.14 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 2x4h s LYS 62 CO -0.03 0.64 0.34 1.63 -0.36 0.00 0.00 175.35 177.57 2x4h n LYS 63 N 1.63 0.49 -0.29 4.03 5.02 -1.02 -5.00 118.16 123.02 2x4h n LYS 63 Ca -0.11 -2.74 -0.06 0.00 -2.02 0.00 0.00 58.31 53.38 2x4h n LYS 63 Cb 0.52 2.41 0.07 0.00 -0.02 0.00 0.00 35.03 38.01 2x4h n LYS 63 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2x4h h GLU 64 N 0.00 1.17 0.00 1.97 4.81 -2.03 -2.88 114.58 117.62 2x4h h GLU 64 Ca -0.22 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2x4h h GLU 64 Cb 1.06 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2x4h h GLU 64 CO 0.31 0.92 0.00 0.38 -0.73 0.00 0.00 179.01 179.90 2x4h h ASP 65 N 1.14 0.00 -3.42 1.04 3.04 -1.98 -3.49 116.42 112.76 2x4h h ASP 65 Ca 0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 2x4h h ASP 65 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 2x4h h ASP 65 CO -0.03 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.78 2x4h n GLY 66 N 1.10 0.72 3.76 7.15 0.00 -1.09 -4.24 105.19 112.59 2x4h n GLY 66 Ca 0.04 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2x4h n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4h s VAL 67 N -2.15 4.13 0.03 1.61 0.11 -0.92 -2.45 120.40 120.76 2x4h s VAL 67 Ca 0.00 1.98 0.05 0.00 -2.93 0.00 0.00 61.98 61.08 2x4h s VAL 67 Cb 0.00 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 2x4h s VAL 67 CO 0.00 0.38 -0.14 0.26 -3.33 0.00 0.00 175.10 172.27 2x4h s TRP 68 N -1.32 1.23 0.12 1.54 0.52 -0.76 -0.91 118.94 119.35 2x4h s TRP 68 Ca 0.44 -0.32 -0.19 0.00 0.02 0.00 0.00 56.10 56.04 2x4h s TRP 68 Cb -0.23 -0.75 -0.07 0.00 -1.15 0.00 0.00 33.47 31.27 2x4h s TRP 68 CO 0.29 0.02 0.61 -1.50 0.02 0.00 0.00 176.95 176.39 2x4h s ILE 69 N -0.71 4.69 0.67 2.03 2.07 -1.26 -1.45 121.20 127.23 2x4h s ILE 69 Ca 0.03 1.23 0.01 0.00 -1.41 0.00 0.00 60.65 60.51 2x4h s ILE 69 Cb -0.07 -3.90 0.11 0.00 0.13 0.00 0.00 42.46 38.73 2x4h s ILE 69 CO 0.01 0.46 0.92 0.42 -1.91 0.00 0.00 174.94 174.84 2x4h s THR 70 N -1.23 2.22 0.20 4.00 -4.23 -0.99 -4.91 115.64 110.70 2x4h s THR 70 Ca 0.33 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 2x4h s THR 70 Cb -0.19 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.23 2x4h s THR 70 CO 0.20 0.00 1.75 -1.13 -0.54 0.00 0.00 174.62 174.90 2x4h h ASN 71 N -0.31 0.20 -0.89 3.99 -0.73 -1.93 -1.40 115.58 114.52 2x4h h ASN 71 Ca -0.36 0.07 0.08 0.00 1.87 0.00 0.00 56.30 57.96 2x4h h ASN 71 Cb 1.27 0.05 -0.06 0.00 0.27 0.00 0.00 38.32 39.86 2x4h h ASN 71 CO 0.42 0.13 0.57 0.78 -0.37 0.00 0.00 177.43 178.97 2x4h h ASN 72 N 0.39 0.84 -0.22 1.15 2.35 -1.89 -0.91 115.58 117.29 2x4h h ASN 72 Ca 0.28 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 2x4h h ASN 72 Cb 0.33 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2x4h h ASN 72 CO -0.28 0.52 -0.28 1.23 -1.65 0.00 0.00 177.43 176.97 2x4h h GLY 73 N 0.95 0.62 1.19 2.83 0.00 -1.44 -1.65 103.07 105.58 2x4h h GLY 73 Ca 0.39 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2x4h h GLY 73 CO -0.16 0.60 0.14 -0.84 0.00 0.00 0.00 176.54 176.29 2x4h h THR 74 N 0.26 1.25 -0.41 4.70 2.02 -1.20 -2.14 112.91 117.38 2x4h h THR 74 Ca 0.03 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.33 2x4h h THR 74 Cb 0.85 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2x4h h THR 74 CO 0.07 0.35 0.17 0.03 0.37 0.00 0.00 175.52 176.51 2x4h h ARG 75 N 0.95 0.34 -0.24 6.66 3.08 -1.03 -1.53 114.38 122.62 2x4h h ARG 75 Ca 0.20 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2x4h h ARG 75 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2x4h h ARG 75 CO 0.00 0.23 -0.35 0.77 -1.07 0.00 0.00 179.97 179.55 2x4h h SER 76 N 0.36 0.54 0.23 7.04 0.02 -1.08 -1.21 113.55 119.45 2x4h h SER 76 Ca 0.18 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2x4h h SER 76 Cb 0.14 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2x4h h SER 76 CO -0.16 0.85 -0.31 0.40 -1.14 0.00 0.00 176.83 176.46 2x4h h ILE 77 N 0.44 0.34 -0.44 3.27 2.04 -1.13 -2.24 117.51 119.79 2x4h h ILE 77 Ca 0.05 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 2x4h h ILE 77 Cb 0.82 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2x4h h ILE 77 CO 0.07 0.00 0.04 0.78 0.00 0.00 0.00 178.15 179.03 2x4h h ASN 78 N -0.61 0.65 0.26 1.72 2.35 -0.97 -0.89 115.58 118.09 2x4h h ASN 78 Ca 0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2x4h h ASN 78 Cb 0.59 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2x4h h ASN 78 CO -0.11 0.70 -0.18 0.22 -1.65 0.00 0.00 177.43 176.40 2x4h h TYR 79 N 0.66 -0.48 -0.83 1.19 3.20 -1.22 -0.24 116.97 119.25 2x4h h TYR 79 Ca 0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2x4h h TYR 79 Cb 0.36 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 2x4h h TYR 79 CO 0.02 -0.28 0.47 1.25 -1.64 0.00 0.00 178.16 177.98 2x4h h LEU 80 N -0.44 1.02 -0.21 2.82 5.85 -0.80 -0.92 115.31 122.63 2x4h h LEU 80 Ca -0.02 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2x4h h LEU 80 Cb 0.38 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2x4h h LEU 80 CO 0.00 0.81 -0.10 0.40 -0.34 0.00 0.00 178.44 179.21 2x4h h ILE 81 N 1.16 0.69 -0.42 4.05 2.04 -1.03 -0.17 117.51 123.83 2x4h h ILE 81 Ca 0.30 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.21 2x4h h ILE 81 Cb -0.00 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2x4h h ILE 81 CO -0.05 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.76 2x4h h LYS 82 N -0.07 0.32 -0.06 2.37 3.64 -0.25 -0.67 116.57 121.85 2x4h h LYS 82 Ca 0.11 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2x4h h LYS 82 Cb 0.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2x4h h LYS 82 CO -0.25 0.21 0.01 0.00 -2.27 0.00 0.00 179.45 177.15 2x4h h ALA 83 N 1.27 0.06 -0.18 5.00 0.00 -0.71 0.18 119.26 124.87 2x4h h ALA 83 Ca 0.19 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2x4h h ALA 83 Cb 0.17 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2x4h h ALA 83 CO -0.19 -0.47 -0.15 1.25 0.00 0.00 0.00 179.25 179.69 2x4h h HIS 84 N 0.03 -0.38 -0.02 0.00 -0.00 -0.70 -1.27 115.15 112.81 2x4h h HIS 84 Ca 0.03 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.25 2x4h h HIS 84 Cb 0.03 0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2x4h h HIS 84 CO -0.10 -0.22 -0.77 0.00 -0.00 0.00 0.00 177.93 176.84 2x4h h ARG 85 N -0.16 0.18 -0.56 5.26 3.08 -0.87 -1.96 114.38 119.34 2x4h h ARG 85 Ca 0.11 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2x4h h ARG 85 Cb 0.33 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2x4h h ARG 85 CO -0.28 0.86 0.02 0.28 -1.07 0.00 0.00 179.97 179.78 2x4h h VAL 86 N 0.11 1.26 -0.40 2.04 2.07 -0.51 -2.78 116.25 118.04 2x4h h VAL 86 Ca -0.03 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 2x4h h VAL 86 Cb 1.35 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2x4h h VAL 86 CO 0.12 0.38 -0.24 0.40 0.02 0.00 0.00 177.57 178.25 2x4h h ILE 87 N 0.88 1.27 -0.95 4.57 2.04 -1.02 -2.97 117.51 121.34 2x4h h ILE 87 Ca 0.17 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.67 2x4h h ILE 87 Cb 0.49 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2x4h h ILE 87 CO 0.02 0.46 0.63 -0.33 0.00 0.00 0.00 178.15 178.92 2x4h h GLU 88 N 0.70 1.25 -0.35 2.37 5.08 -1.21 -1.03 114.58 121.39 2x4h h GLU 88 Ca 0.09 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2x4h h GLU 88 Cb 0.76 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2x4h h GLU 88 CO 0.06 0.83 0.11 0.82 -1.00 0.00 0.00 179.01 179.83 2x4h h ILE 89 N 1.29 1.21 -0.74 3.13 2.04 -1.34 0.57 117.51 123.66 2x4h h ILE 89 Ca 0.35 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.60 2x4h h ILE 89 Cb -0.15 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2x4h h ILE 89 CO -0.07 0.23 0.42 0.25 0.00 0.00 0.00 178.15 178.98 2x4h h LEU 90 N 0.42 0.61 -0.23 1.44 5.85 -1.28 0.26 115.31 122.39 2x4h h LEU 90 Ca 0.11 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 2x4h h LEU 90 Cb 0.25 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2x4h h LEU 90 CO -0.00 0.38 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.04 2x4h h LEU 91 N 0.75 0.71 -1.34 2.25 3.38 -0.84 -1.64 115.31 118.58 2x4h h LEU 91 Ca 0.34 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2x4h h LEU 91 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2x4h h LEU 91 CO -0.21 1.10 -0.25 0.58 0.09 0.00 0.00 178.44 179.75 2x4h h VAL 92 N 0.35 1.21 0.00 1.22 2.07 -0.62 -2.07 116.25 118.42 2x4h h VAL 92 Ca 0.02 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2x4h h VAL 92 Cb 0.95 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2x4h h VAL 92 CO 0.08 0.30 -0.36 0.78 0.02 0.00 0.00 177.57 178.39 2x4h h ASN 93 N 0.11 0.00 -0.05 0.57 4.21 0.25 -2.47 115.58 118.21 2x4h h ASN 93 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2x4h h ASN 93 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2x4h h ASN 93 CO 0.04 0.36 0.00 2.30 -1.29 0.00 0.00 177.43 178.83 2x4h n ILE 94 N -4.04 0.05 0.00 2.81 -5.35 -0.69 -4.93 119.36 107.22 2x4h n ILE 94 Ca -0.02 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2x4h n ILE 94 Cb 0.40 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 2x4h n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x4h n GLY 95 N 1.16 1.20 3.73 3.28 0.00 -0.93 -5.09 105.19 108.53 2x4h n GLY 95 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2x4h n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x4h s ILE 96 N -2.00 4.92 0.29 -0.61 1.01 -0.82 -5.01 121.20 118.98 2x4h s ILE 96 Ca 0.00 1.54 -0.27 0.00 0.00 0.00 0.00 60.65 61.92 2x4h s ILE 96 Cb 0.00 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 38.25 2x4h s ILE 96 CO 0.00 0.29 0.84 -0.67 0.00 0.00 0.00 174.94 175.40 2x4h n ASP 97 N 3.41 0.45 0.21 3.58 2.03 -1.26 -4.12 116.55 120.85 2x4h n ASP 97 Ca -0.01 1.13 0.07 0.00 0.52 0.00 0.00 54.79 56.50 2x4h n ASP 97 Cb 0.51 -1.19 0.46 0.00 -0.72 0.00 0.00 41.12 40.18 2x4h n ASP 97 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2x4h h LYS 98 N 1.59 0.00 -0.20 -0.67 2.10 -1.96 0.41 116.57 117.85 2x4h h LYS 98 Ca -0.37 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.07 2x4h h LYS 98 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2x4h h LYS 98 CO 0.58 0.29 -0.68 1.96 -2.00 0.00 0.00 179.45 179.60 2x4h h GLN 99 N 0.00 0.78 -0.34 0.07 1.08 -2.00 -1.91 115.11 112.79 2x4h h GLN 99 Ca -0.00 -0.57 -0.16 0.00 -1.45 0.00 0.00 58.65 56.46 2x4h h GLN 99 Cb 0.67 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 2x4h h GLN 99 CO 0.04 1.19 -0.42 1.15 -0.95 0.00 0.00 178.83 179.84 2x4h h THR 100 N 0.56 1.28 -0.85 -0.54 2.02 -1.81 -2.93 112.91 110.64 2x4h h THR 100 Ca -0.02 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 2x4h h THR 100 Cb 1.29 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.12 2x4h h THR 100 CO 0.14 0.53 0.51 0.00 0.37 0.00 0.00 175.52 177.07 2x4h h ALA 101 N 0.83 1.30 0.63 6.16 0.00 -0.16 0.21 119.26 128.23 2x4h h ALA 101 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2x4h h ALA 101 Cb 1.00 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2x4h h ALA 101 CO 0.10 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.64 2x4h h GLU 103 N -1.03 0.59 -0.23 0.00 4.57 -1.45 -2.62 114.58 114.40 2x4h h GLU 103 Ca -0.09 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2x4h h GLU 103 Cb 0.69 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2x4h h GLU 103 CO 0.14 0.39 0.11 1.88 -1.18 0.00 0.00 179.01 180.35 2x4h h TYR 104 N 0.61 0.34 -0.99 0.92 0.05 -0.53 -2.72 116.97 114.65 2x4h h TYR 104 Ca 0.28 -0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.26 2x4h h TYR 104 Cb 0.20 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 37.74 2x4h h TYR 104 CO -0.09 0.34 0.62 1.03 -1.05 0.00 0.00 178.16 179.01 2x4h h SER 105 N 0.24 0.62 0.52 3.88 0.87 -0.73 -0.75 113.55 118.20 2x4h h SER 105 Ca 0.08 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2x4h h SER 105 Cb 0.13 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2x4h h SER 105 CO -0.01 0.20 -0.07 0.11 -0.53 0.00 0.00 176.83 176.54 2x4h h LYS 106 N 0.59 0.00 0.00 2.24 1.57 -1.14 0.59 116.57 120.42 2x4h h LYS 106 Ca 0.56 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.30 2x4h h LYS 106 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2x4h h LYS 106 CO -0.32 0.07 -0.18 1.96 -0.57 0.00 0.00 179.45 180.41 2x4h h GLN 107 N 0.00 0.00 0.00 3.15 4.20 -1.19 -3.39 115.11 117.89 2x4h h GLN 107 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x4h h GLN 107 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2x4h h GLN 107 CO 0.01 0.18 0.00 1.97 -0.67 0.00 0.00 178.83 180.32 2x4h n PHE 108 N -3.58 0.00 -0.00 2.96 1.16 -0.99 -4.93 117.46 112.07 2x4h n PHE 108 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.63 2x4h n PHE 108 Cb 0.32 0.02 0.46 0.00 -1.61 0.00 0.00 39.48 38.67 2x4h n PHE 108 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 2x4h h ASP 109 N 0.00 0.41 1.30 5.98 3.04 -1.09 -1.28 116.42 124.78 2x4h h ASP 109 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2x4h h ASP 109 Cb 0.49 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2x4h h ASP 109 CO 0.00 0.28 0.00 0.10 -2.04 0.00 0.00 179.24 177.58 2x4h h TYR 110 N 0.47 0.00 -0.09 4.15 -0.00 -1.86 -3.23 116.97 116.41 2x4h h TYR 110 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.90 2x4h h TYR 110 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.83 2x4h h TYR 110 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 2x4h n LEU 111 N -2.42 2.93 -4.69 0.10 4.77 -0.49 -4.86 117.00 112.34 2x4h n LEU 111 Ca 0.04 -1.09 -0.40 0.00 -0.03 0.00 0.00 56.01 54.52 2x4h n LEU 111 Cb 0.38 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2x4h n LEU 111 CO 0.28 0.52 0.44 -0.63 -1.33 0.00 0.00 177.39 176.67 2x4h s ILE 112 N -1.75 5.00 0.35 -0.08 1.01 -1.18 -5.01 121.20 119.53 2x4h s ILE 112 Ca 0.28 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 62.05 2x4h s ILE 112 Cb 0.19 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.51 2x4h s ILE 112 CO 0.28 0.15 1.21 -2.65 0.00 0.00 0.00 174.94 173.94 2x4h n PRO 113 N 4.53 1.90 -0.28 2.79 -0.01 -1.26 -4.85 135.00 137.81 2x4h n PRO 113 Ca -0.00 0.67 0.09 0.00 -0.01 0.00 0.00 63.50 64.25 2x4h n PRO 113 Cb 0.50 -2.22 0.23 0.00 -0.01 0.00 0.00 33.50 32.00 2x4h n PRO 113 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 2x4h h GLU 114 N 2.30 0.18 0.00 -0.52 5.08 -1.98 -0.80 114.58 118.84 2x4h h GLU 114 Ca -0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2x4h h GLU 114 Cb 1.30 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2x4h h GLU 114 CO 0.61 0.12 -0.02 1.49 -1.00 0.00 0.00 179.01 180.21 2x4h h GLU 115 N 0.19 0.00 -0.07 2.33 4.81 -2.00 -1.83 114.58 118.00 2x4h h GLU 115 Ca 0.49 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.59 2x4h h GLU 115 Cb 0.92 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.30 2x4h h GLU 115 CO -0.64 0.02 -0.43 0.82 -0.73 0.00 0.00 179.01 178.06 2x4h h ILE 116 N 0.00 1.40 -0.50 2.32 2.04 -1.49 -2.22 117.51 119.07 2x4h h ILE 116 Ca -0.00 -1.82 0.06 0.00 1.00 0.00 0.00 64.86 64.10 2x4h h ILE 116 Cb 0.04 2.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2x4h h ILE 116 CO 0.00 0.53 0.20 0.40 0.00 0.00 0.00 178.15 179.29 2x4h h ILE 117 N -0.05 0.87 -0.49 -0.67 1.08 -1.33 0.14 117.51 117.05 2x4h h ILE 117 Ca -0.03 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2x4h h ILE 117 Cb 1.08 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2x4h h ILE 117 CO 0.09 0.07 0.28 0.44 -0.69 0.00 0.00 178.15 178.34 2x4h h ASP 118 N 0.40 0.61 0.47 1.72 5.19 -1.36 0.54 116.42 123.98 2x4h h ASP 118 Ca 0.23 -0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.48 2x4h h ASP 118 Cb 0.22 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2x4h h ASP 118 CO -0.21 0.51 -0.40 0.11 -3.12 0.00 0.00 179.24 176.12 2x4h h LYS 119 N 0.66 0.00 -0.13 3.56 1.79 -1.03 -2.08 116.57 119.34 2x4h h LYS 119 Ca 0.18 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.51 2x4h h LYS 119 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2x4h h LYS 119 CO -0.03 0.40 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.24 2x4h h LEU 120 N 0.00 0.61 -0.20 2.94 3.38 -0.28 -0.87 115.31 120.89 2x4h h LEU 120 Ca -0.00 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.40 2x4h h LEU 120 Cb 0.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2x4h h LEU 120 CO 0.05 1.11 -0.04 0.22 0.09 0.00 0.00 178.44 179.87 2x4h h TYR 121 N 0.14 -0.08 -0.13 1.13 3.20 -0.65 0.36 116.97 120.94 2x4h h TYR 121 Ca -0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2x4h h TYR 121 Cb 1.06 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2x4h h TYR 121 CO 0.11 -0.07 0.03 -0.91 -1.64 0.00 0.00 178.16 175.67 2x4h h ASN 122 N 0.01 0.01 -0.39 -2.11 2.35 -1.42 0.22 115.58 114.25 2x4h h ASN 122 Ca 0.09 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2x4h h ASN 122 Cb 0.14 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2x4h h ASN 122 CO -0.19 0.03 0.26 0.22 -1.65 0.00 0.00 177.43 176.10 2x4h h TYR 123 N 0.08 0.44 -0.00 1.19 3.20 -0.63 -1.93 116.97 119.32 2x4h h TYR 123 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2x4h h TYR 123 Cb 0.05 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2x4h h TYR 123 CO -0.12 0.27 -0.14 1.28 -1.64 0.00 0.00 178.16 177.81 2x4h n LEU 124 N -4.48 0.39 0.00 2.82 4.77 0.12 -4.91 117.00 115.71 2x4h n LEU 124 Ca 0.03 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2x4h n LEU 124 Cb 0.11 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2x4h n LEU 124 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2x4h n GLY 125 N 1.34 1.11 3.59 -0.72 0.00 -0.73 -4.43 105.19 105.34 2x4h n GLY 125 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2x4h n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x4h n LYS 126 N -1.74 -2.24 -1.71 1.61 5.02 0.75 -4.89 118.16 114.96 2x4h n LYS 126 Ca 0.00 0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 56.52 2x4h n LYS 126 Cb 0.00 -4.76 0.07 0.00 -0.02 0.00 0.00 35.03 30.32 2x4h n LYS 126 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x4h s PRO 127 N -5.60 2.53 0.00 1.97 0.04 -1.26 -4.95 135.00 127.72 2x4h s PRO 127 Ca 0.37 1.91 0.18 0.00 0.04 0.00 0.00 61.00 63.49 2x4h s PRO 127 Cb -0.11 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2x4h s PRO 127 CO 0.82 -1.57 0.88 -1.13 0.04 0.00 0.00 177.00 176.04 2x4h n SER 128 N -2.08 1.59 -3.84 6.66 3.41 -1.26 -4.77 113.62 113.33 2x4h n SER 128 Ca 0.15 -1.30 -0.12 0.00 -0.26 0.00 0.00 58.87 57.33 2x4h n SER 128 Cb 0.49 0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 64.85 2x4h n SER 128 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2x4h s TYR 129 N -2.11 -0.09 0.94 7.33 2.02 -1.26 -1.57 117.35 122.62 2x4h s TYR 129 Ca 0.13 0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.94 2x4h s TYR 129 Cb 0.14 0.02 0.16 0.00 -0.40 0.00 0.00 41.96 41.88 2x4h s TYR 129 CO 0.48 -0.05 1.09 0.00 -1.57 0.00 0.00 175.55 175.50 2x4h h PRO 131 N -1.76 0.00 -0.26 0.00 0.11 -1.89 -0.01 132.00 128.19 2x4h h PRO 131 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2x4h h PRO 131 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2x4h h PRO 131 CO 0.53 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.04 2x4h n HIS 132 N -3.16 0.34 -0.61 0.65 8.25 -1.26 -4.95 115.22 114.49 2x4h n HIS 132 Ca 0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2x4h n HIS 132 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2x4h n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x4h n GLY 133 N 1.10 1.28 3.75 -1.41 0.00 -0.02 -5.04 105.19 104.85 2x4h n GLY 133 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2x4h n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4h s LEU 134 N 0.00 4.54 0.55 0.99 1.43 -1.26 -4.79 118.68 120.15 2x4h s LEU 134 Ca 0.00 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 55.07 2x4h s LEU 134 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2x4h s LEU 134 CO 0.00 -0.12 1.09 -1.61 0.23 0.00 0.00 176.35 175.94 2x4h s GLU 135 N -1.00 3.38 -0.36 1.70 2.02 -1.26 -1.09 118.70 122.08 2x4h s GLU 135 Ca 0.46 1.46 -0.07 0.00 0.02 0.00 0.00 54.97 56.84 2x4h s GLU 135 Cb -0.30 -2.02 0.06 0.00 0.10 0.00 0.00 34.13 31.96 2x4h s GLU 135 CO 0.37 -0.80 0.14 0.42 0.02 0.00 0.00 175.26 175.42 2x4h s ILE 136 N -2.00 3.81 0.17 -1.63 1.01 -0.61 -4.78 121.20 117.16 2x4h s ILE 136 Ca 0.69 -1.29 -0.33 0.00 0.00 0.00 0.00 60.65 59.72 2x4h s ILE 136 Cb -0.20 -3.24 -0.16 0.00 0.01 0.00 0.00 42.46 38.87 2x4h s ILE 136 CO 0.29 -0.30 1.15 -2.65 0.00 0.00 0.00 174.94 173.43 2x4h n PRO 137 N 4.81 1.12 0.00 2.79 -0.02 -1.26 -4.89 135.00 137.55 2x4h n PRO 137 Ca -0.11 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 2x4h n PRO 137 Cb 0.44 -1.89 0.61 0.00 -0.02 0.00 0.00 33.50 32.64 2x4h n PRO 137 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76