#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou n LEU 2 N 0.00 -0.55 0.10 3.17 4.77 -1.26 -4.08 117.00 119.15 1sou n LEU 2 Ca 0.00 0.93 0.12 0.00 -0.03 0.00 0.00 56.01 57.03 1sou n LEU 2 Cb 0.00 -0.35 0.45 0.00 -2.33 0.00 0.00 43.42 41.19 1sou n LEU 2 CO 0.00 -0.27 0.86 2.29 -1.33 0.00 0.00 177.39 178.94 1sou n LYS 3 N -1.86 0.18 0.22 3.23 2.85 -1.26 -1.89 118.16 119.62 1sou n LYS 3 Ca 0.00 0.31 0.05 0.00 -1.05 0.00 0.00 58.31 57.62 1sou n LYS 3 Cb 0.16 -1.78 0.48 0.00 -0.65 0.00 0.00 35.03 33.23 1sou n LYS 3 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1sou h SER 4 N 0.00 0.00 0.22 -5.58 0.02 -1.94 0.48 113.55 106.76 1sou h SER 4 Ca 0.00 -0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1sou h SER 4 Cb 0.47 -0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.04 1sou h SER 4 CO 0.00 0.22 -1.39 -0.08 -1.14 0.00 0.00 176.83 174.43 1sou h GLU 5 N 0.00 0.57 -0.82 3.45 4.81 -1.52 -2.96 114.58 118.12 1sou h GLU 5 Ca -0.00 -0.89 0.00 0.00 -0.13 0.00 0.00 59.36 58.34 1sou h GLU 5 Cb 0.38 0.32 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1sou h GLU 5 CO 0.03 1.42 0.52 1.25 -0.73 0.00 0.00 179.01 181.50 1sou h LEU 6 N 0.20 0.95 -0.84 1.64 5.85 -1.44 -1.38 115.31 120.29 1sou h LEU 6 Ca -0.23 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1sou h LEU 6 Cb 2.08 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 1sou h LEU 6 CO 0.26 0.71 0.53 -0.09 -0.34 0.00 0.00 178.44 179.51 1sou h ARG 7 N 1.12 0.97 -0.35 1.25 2.43 -0.90 -2.08 114.38 116.82 1sou h ARG 7 Ca 0.30 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1sou h ARG 7 Cb -0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1sou h ARG 7 CO -0.06 0.64 -0.41 -0.22 -1.51 0.00 0.00 179.97 178.41 1sou h LYS 8 N 1.00 0.86 -0.07 0.20 3.64 -1.17 -1.52 116.57 119.52 1sou h LYS 8 Ca 0.35 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1sou h LYS 8 Cb 0.09 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1sou h LYS 8 CO -0.15 1.11 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.87 1sou h LYS 9 N 0.70 -0.05 -0.45 1.90 3.64 -0.83 -0.90 116.57 120.58 1sou h LYS 9 Ca 0.05 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1sou h LYS 9 Cb 1.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1sou h LYS 9 CO 0.10 -0.04 -0.00 0.28 -2.27 0.00 0.00 179.45 177.52 1sou h VAL 10 N -0.06 1.26 -0.55 2.00 2.07 -1.38 -2.98 116.25 116.62 1sou h VAL 10 Ca 0.04 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1sou h VAL 10 Cb 0.12 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1sou h VAL 10 CO -0.10 0.36 0.35 0.25 0.02 0.00 0.00 177.57 178.46 1sou h LEU 11 N 0.65 0.64 0.54 2.57 5.85 -1.01 -1.74 115.31 122.81 1sou h LEU 11 Ca 0.13 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1sou h LEU 11 Cb 0.50 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1sou h LEU 11 CO 0.02 0.47 -0.32 0.45 -0.34 0.00 0.00 178.44 178.73 1sou h HIS 12 N 0.75 -0.84 0.00 1.25 3.86 -1.00 -1.79 115.15 117.37 1sou h HIS 12 Ca 0.20 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1sou h HIS 12 Cb -0.07 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1sou h HIS 12 CO 0.00 -0.48 -0.25 0.87 0.86 0.00 0.00 177.93 178.93 1sou h LYS 13 N -0.79 0.00 0.92 2.45 1.57 -1.59 -2.35 116.57 116.79 1sou h LYS 13 Ca -0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1sou h LYS 13 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1sou h LYS 13 CO 0.08 0.25 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.68 1sou h ARG 14 N 0.00 -1.20 -0.01 3.15 2.43 -1.21 -2.94 114.38 114.61 1sou h ARG 14 Ca -0.00 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1sou h ARG 14 Cb 0.55 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1sou h ARG 14 CO 0.03 -0.80 0.00 0.44 -1.51 0.00 0.00 179.97 178.13 1sou n ILE 15 N -5.39 0.01 0.94 1.20 -5.35 -0.68 -2.72 119.36 107.37 1sou n ILE 15 Ca -0.15 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.43 1sou n ILE 15 Cb 0.49 -0.02 0.15 0.00 -1.74 0.00 0.00 39.64 38.52 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N -0.50 0.62 -4.65 7.28 5.15 -0.90 -4.94 115.26 117.32 1sou n ASN 16 Ca 0.01 -0.38 -0.35 0.00 -0.60 0.00 0.00 54.58 53.27 1sou n ASN 16 Cb 0.01 0.45 0.11 0.00 -0.53 0.00 0.00 39.78 39.82 1sou n ASN 16 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sou n LEU 17 N -1.57 3.98 -4.85 1.20 4.77 -1.10 -4.98 117.00 114.45 1sou n LEU 17 Ca 0.05 0.63 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 1sou n LEU 17 Cb 0.35 -1.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.01 1sou n LEU 17 CO 0.37 -1.86 0.72 -0.44 -1.33 0.00 0.00 177.39 174.84 1sou s SER 18 N -1.87 5.78 0.01 -1.43 0.01 -1.26 -4.86 113.70 110.09 1sou s SER 18 Ca 0.73 1.49 -0.10 0.00 1.31 0.00 0.00 55.95 59.38 1sou s SER 18 Cb -0.32 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1sou s SER 18 CO 0.50 -1.17 1.02 -0.33 0.41 0.00 0.00 173.24 173.68 1sou h GLU 19 N -0.53 -0.35 -0.12 12.44 3.07 -1.99 0.12 114.58 127.22 1sou h GLU 19 Ca -0.44 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.38 1sou h GLU 19 Cb 1.20 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 1sou h GLU 19 CO 0.60 -0.23 -0.19 1.05 -1.40 0.00 0.00 179.01 178.83 1sou h GLU 20 N -0.40 0.20 0.13 2.33 9.09 -1.99 -1.80 114.58 122.15 1sou h GLU 20 Ca -0.04 -0.06 0.01 0.00 0.05 0.00 0.00 59.36 59.32 1sou h GLU 20 Cb 0.28 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1sou h GLU 20 CO 0.06 0.40 -0.14 1.49 0.05 0.00 0.00 179.01 180.87 1sou h GLU 21 N 0.19 -0.30 0.00 1.06 4.81 -1.94 -0.63 114.58 117.77 1sou h GLU 21 Ca 0.04 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1sou h GLU 21 Cb 0.46 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1sou h GLU 21 CO 0.03 -0.20 -0.10 0.07 -0.73 0.00 0.00 179.01 178.09 1sou h ARG 22 N -0.31 0.00 -0.25 1.92 0.11 -0.41 -0.55 114.38 114.89 1sou h ARG 22 Ca 0.01 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.94 1sou h ARG 22 Cb 0.30 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.38 1sou h ARG 22 CO -0.05 0.10 -0.44 -0.09 0.10 0.00 0.00 179.97 179.59 1sou h ARG 23 N 0.00 0.74 -0.10 0.08 2.43 -0.72 0.13 114.38 116.94 1sou h ARG 23 Ca -0.00 -0.46 -0.16 0.00 -0.81 0.00 0.00 59.98 58.55 1sou h ARG 23 Cb 0.60 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1sou h ARG 23 CO 0.01 1.08 -0.64 -0.09 -1.51 0.00 0.00 179.97 178.83 1sou h ARG 24 N 0.47 0.37 -0.61 0.20 2.43 -0.74 0.14 114.38 116.63 1sou h ARG 24 Ca 0.02 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1sou h ARG 24 Cb 1.04 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1sou h ARG 24 CO 0.10 0.88 0.19 -0.07 -1.51 0.00 0.00 179.97 179.56 1sou h LEU 25 N 0.27 0.89 -0.95 3.80 3.38 -1.05 -1.40 115.31 120.26 1sou h LEU 25 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1sou h LEU 25 Cb 1.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1sou h LEU 25 CO 0.11 0.86 0.16 0.28 0.09 0.00 0.00 178.44 179.94 1sou h SER 26 N 0.88 0.87 -0.58 -0.43 0.02 -0.47 -2.04 113.55 111.80 1sou h SER 26 Ca 0.20 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1sou h SER 26 Cb 0.29 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1sou h SER 26 CO -0.01 0.84 0.27 -0.08 -1.14 0.00 0.00 176.83 176.71 1sou h GLU 27 N 0.90 0.49 -0.70 3.45 4.57 -0.25 0.17 114.58 123.22 1sou h GLU 27 Ca 0.20 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1sou h GLU 27 Cb 0.30 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1sou h GLU 27 CO -0.00 0.32 0.16 -0.22 -1.18 0.00 0.00 179.01 178.09 1sou h LYS 28 N 0.50 1.12 -0.06 1.92 3.64 -0.86 -0.90 116.57 121.93 1sou h LYS 28 Ca 0.27 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1sou h LYS 28 Cb 0.23 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1sou h LYS 28 CO -0.22 0.99 -0.46 0.28 -2.27 0.00 0.00 179.45 177.78 1sou h VAL 29 N 1.06 1.41 -0.54 2.00 2.07 -0.81 -2.34 116.25 119.10 1sou h VAL 29 Ca 0.22 -1.87 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 1sou h VAL 29 Cb 0.39 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1sou h VAL 29 CO 0.00 0.55 0.13 0.40 0.02 0.00 0.00 177.57 178.67 1sou h ILE 30 N -0.05 1.23 -0.45 4.57 2.04 -0.63 0.15 117.51 124.37 1sou h ILE 30 Ca -0.04 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 1sou h ILE 30 Cb 1.13 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1sou h ILE 30 CO 0.09 0.31 0.00 -1.28 0.00 0.00 0.00 178.15 177.27 1sou h SER 31 N 0.80 0.70 -0.00 1.72 0.87 -1.18 0.14 113.55 116.60 1sou h SER 31 Ca 0.18 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1sou h SER 31 Cb 0.30 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1sou h SER 31 CO -0.00 0.76 0.00 -1.13 -0.53 0.00 0.00 176.83 175.93 1sou h ASN 32 N 0.69 0.01 -0.09 6.23 -0.00 -0.72 -2.04 115.58 119.65 1sou h ASN 32 Ca 0.14 -0.31 -0.02 0.00 -0.00 0.00 0.00 56.30 56.11 1sou h ASN 32 Cb 0.42 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 1sou h ASN 32 CO 0.02 0.31 0.02 0.25 -0.00 0.00 0.00 177.43 178.02 1sou h LEU 33 N -0.30 0.20 -0.64 0.34 5.85 -0.52 -1.65 115.31 118.59 1sou h LEU 33 Ca 0.00 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1sou h LEU 33 Cb 0.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1sou h LEU 33 CO 0.00 0.23 -0.61 0.50 -0.34 0.00 0.00 178.44 178.22 1sou h LYS 34 N 0.23 0.23 0.00 1.25 1.63 -0.56 -2.81 116.57 116.53 1sou h LYS 34 Ca 0.06 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1sou h LYS 34 Cb 0.13 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1sou h LYS 34 CO 0.00 0.77 -0.07 0.66 -3.45 0.00 0.00 179.45 177.36 1sou h SER 35 N 0.17 0.00 -1.68 4.20 4.64 -0.61 -3.45 113.55 116.82 1sou h SER 35 Ca -0.01 -0.01 -0.63 0.00 -0.47 0.00 0.00 61.79 60.67 1sou h SER 35 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1sou h SER 35 CO 0.09 0.01 1.35 -0.11 -0.87 0.00 0.00 176.83 177.30 1sou n LEU 36 N -2.60 2.93 -0.31 5.97 0.00 -0.70 -4.86 117.00 117.43 1sou n LEU 36 Ca 0.05 0.50 -0.01 0.00 0.00 0.00 0.00 56.01 56.55 1sou n LEU 36 Cb 0.47 -1.40 0.16 0.00 0.00 0.00 0.00 43.42 42.65 1sou n LEU 36 CO 0.32 -0.51 1.26 -0.65 0.00 0.00 0.00 177.39 177.81 1sou h PRO 37 N 12.40 1.19 0.00 1.96 0.11 -1.88 -1.47 132.00 144.31 1sou h PRO 37 Ca -0.38 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1sou h PRO 37 Cb 1.28 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1sou h PRO 37 CO 0.98 0.80 -0.21 0.93 -0.21 0.00 0.00 178.00 180.29 1sou h GLU 38 N 1.22 0.00 0.00 1.05 3.07 -1.95 -1.50 114.58 116.46 1sou h GLU 38 Ca 0.33 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1sou h GLU 38 Cb -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1sou h GLU 38 CO -0.07 0.21 -0.45 0.35 -1.40 0.00 0.00 179.01 177.65 1sou h PHE 39 N 0.00 0.00 0.00 4.33 3.57 -1.57 0.39 116.94 123.66 1sou h PHE 39 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1sou h PHE 39 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1sou h PHE 39 CO 0.00 0.45 -0.40 -0.22 -2.23 0.00 0.00 178.31 175.91 1sou h LYS 40 N 0.00 0.00 0.06 1.11 3.64 -1.01 -3.23 116.57 117.14 1sou h LYS 40 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1sou h LYS 40 Cb 0.97 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1sou h LYS 40 CO 0.06 0.40 -0.51 0.87 -2.27 0.00 0.00 179.45 178.00 1sou h LYS 41 N 0.00 0.25 -7.09 1.90 1.79 -0.81 -3.47 116.57 109.14 1sou h LYS 41 Ca -0.00 -0.34 -0.56 0.00 -2.18 0.00 0.00 60.65 57.56 1sou h LYS 41 Cb 1.29 0.12 0.16 0.00 -1.58 0.00 0.00 32.23 32.21 1sou h LYS 41 CO 0.05 1.10 0.53 0.45 -1.08 0.00 0.00 179.45 180.51 1sou n SER 42 N -4.31 2.22 0.00 0.86 2.88 0.13 -4.95 113.62 110.46 1sou n SER 42 Ca -0.12 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1sou n SER 42 Cb 0.67 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1sou n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sou n LYS 43 N -1.68 4.90 -3.20 -1.46 4.81 -1.26 -4.91 118.16 115.36 1sou n LYS 43 Ca 0.15 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.13 1sou n LYS 43 Cb 0.47 -0.55 -0.03 0.00 0.02 0.00 0.00 35.03 34.95 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1sou s LYS 44 N -0.28 3.46 -0.34 1.64 -0.14 -1.26 -0.43 119.74 122.39 1sou s LYS 44 Ca 0.00 -2.05 -0.08 0.00 -1.36 0.00 0.00 55.97 52.48 1sou s LYS 44 Cb 0.00 -4.51 0.03 0.00 -1.68 0.00 0.00 37.83 31.67 1sou s LYS 44 CO 0.00 -1.45 0.12 0.08 -0.76 0.00 0.00 175.35 173.35 1sou s VAL 45 N 1.28 4.00 -0.28 3.17 1.01 -0.21 -0.64 120.40 128.73 1sou s VAL 45 Ca 0.19 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 1sou s VAL 45 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1sou s VAL 45 CO -0.06 -0.15 0.34 0.00 0.00 0.00 0.00 175.10 175.23 1sou s ALA 46 N 1.45 3.55 -0.21 5.51 0.00 0.46 -0.95 121.76 131.58 1sou s ALA 46 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1sou s ALA 46 Cb -0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1sou s ALA 46 CO 0.04 -0.67 0.06 -0.51 0.00 0.00 0.00 175.76 174.68 1sou s LEU 47 N 2.02 3.64 0.00 0.00 1.02 -0.41 -0.40 118.68 124.54 1sou s LEU 47 Ca 0.13 -0.05 0.22 0.00 0.02 0.00 0.00 54.13 54.45 1sou s LEU 47 Cb -0.16 -1.94 1.23 0.00 0.02 0.00 0.00 46.19 45.34 1sou s LEU 47 CO 0.10 0.09 1.80 0.00 0.02 0.00 0.00 176.35 178.36 1sou n TYR 48 N 4.11 0.02 -2.42 0.29 9.36 -1.01 -4.25 117.16 123.25 1sou n TYR 48 Ca -0.16 -0.01 -0.05 0.00 3.32 0.00 0.00 57.90 61.00 1sou n TYR 48 Cb 0.52 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -0.72 2.96 -0.06 0.00 0.04 -1.26 -4.94 135.00 131.02 1sou s PRO 50 Ca -0.25 -1.28 -0.29 0.00 0.04 0.00 0.00 61.00 59.22 1sou s PRO 50 Cb 0.02 -5.31 -0.02 0.00 0.04 0.00 0.00 34.50 29.23 1sou s PRO 50 CO 0.67 -3.35 0.95 0.96 0.04 0.00 0.00 177.00 176.27 1sou s ILE 51 N 8.74 4.85 -1.49 0.56 -5.25 -1.26 -3.10 121.20 124.25 1sou s ILE 51 Ca 0.63 1.96 -0.03 0.00 -0.99 0.00 0.00 60.65 62.22 1sou s ILE 51 Cb -0.00 -4.28 0.01 0.00 2.95 0.00 0.00 42.46 41.15 1sou s ILE 51 CO 0.09 0.10 0.31 0.29 -1.79 0.00 0.00 174.94 173.94 1sou n LYS 52 N 4.44 -3.31 -3.71 0.37 5.02 -1.26 -4.95 118.16 114.76 1sou n LYS 52 Ca 0.06 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.79 1sou n LYS 52 Cb 0.50 -5.56 -0.11 0.00 -0.02 0.00 0.00 35.03 29.84 1sou n LYS 52 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sou s GLY 53 N -2.40 1.93 0.52 0.72 0.00 -1.18 -4.85 107.32 102.06 1sou s GLY 53 Ca 0.18 -2.18 0.23 0.00 0.00 0.00 0.00 44.72 42.95 1sou s GLY 53 CO 0.22 0.93 2.01 0.83 0.00 0.00 0.00 173.10 177.10 1sou h GLU 54 N 8.23 0.04 -6.21 2.90 3.07 -1.89 -3.29 114.58 117.42 1sou h GLU 54 Ca -0.20 -0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.12 1sou h GLU 54 Cb 1.07 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.89 1sou h GLU 54 CO 0.70 0.03 1.19 0.08 -1.40 0.00 0.00 179.01 179.60 1sou s VAL 55 N -5.06 3.71 -0.47 3.13 1.01 -1.26 -4.58 120.40 116.88 1sou s VAL 55 Ca -0.05 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1sou s VAL 55 Cb 0.19 -4.78 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1sou s VAL 55 CO 0.73 -1.71 1.02 -0.62 0.00 0.00 0.00 175.10 174.52 1sou s ASP 56 N 4.84 6.56 0.00 3.32 -1.08 -1.24 -4.86 116.67 124.21 1sou s ASP 56 Ca 0.44 0.29 0.23 0.00 -0.52 0.00 0.00 52.55 52.98 1sou s ASP 56 Cb -0.06 -2.50 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 1sou s ASP 56 CO 0.09 -1.14 1.47 0.18 0.52 0.00 0.00 175.17 176.28 1sou n LEU 57 N 7.48 3.63 -0.16 -1.34 4.77 -1.26 -4.43 117.00 125.68 1sou n LEU 57 Ca 0.09 -1.69 -0.11 0.00 -0.03 0.00 0.00 56.01 54.27 1sou n LEU 57 Cb 0.49 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1sou n LEU 57 CO 0.68 0.84 0.72 0.74 -1.33 0.00 0.00 177.39 179.04 1sou h THR 58 N 4.33 1.27 0.00 -5.08 2.02 -1.96 -2.49 112.91 111.00 1sou h THR 58 Ca 0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1sou h THR 58 Cb 0.97 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1sou h THR 58 CO 0.00 0.43 0.00 -2.65 0.37 0.00 0.00 175.52 173.67 1sou n PRO 59 N -4.21 0.04 0.00 6.66 -0.02 -1.26 -1.28 135.00 134.93 1sou n PRO 59 Ca 0.00 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1sou n PRO 59 Cb 0.40 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.72 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sou n LEU 60 N -1.30 0.38 0.06 2.45 7.94 -0.94 -4.15 117.00 121.44 1sou n LEU 60 Ca 0.01 0.13 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 1sou n LEU 60 Cb 0.03 -0.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.62 1sou n LEU 60 CO 0.02 0.09 0.74 -0.26 -1.11 0.00 0.00 177.39 176.87 1sou h PHE 61 N 0.00 -0.48 -0.83 1.96 -1.00 -1.32 -2.10 116.94 113.17 1sou h PHE 61 Ca 0.00 0.02 0.17 0.00 2.81 0.00 0.00 57.97 60.96 1sou h PHE 61 Cb 0.50 0.21 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 1sou h PHE 61 CO 0.00 -0.27 0.55 -1.35 -1.61 0.00 0.00 178.31 175.63 1sou h PRO 62 N -0.31 0.44 -0.09 1.51 0.11 -1.80 0.16 132.00 132.02 1sou h PRO 62 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1sou h PRO 62 Cb 0.37 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1sou h PRO 62 CO -0.16 0.29 -0.00 0.93 -0.21 0.00 0.00 178.00 178.85 1sou h GLU 63 N 0.46 0.16 -0.33 1.05 4.39 -1.67 -3.01 114.58 115.62 1sou h GLU 63 Ca 0.42 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.90 1sou h GLU 63 Cb 0.94 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1sou h GLU 63 CO -0.15 0.42 -0.44 0.28 -1.16 0.00 0.00 179.01 177.95 1sou h VAL 64 N -0.12 1.28 0.00 3.13 2.07 -0.66 -2.98 116.25 118.95 1sou h VAL 64 Ca 0.02 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1sou h VAL 64 Cb 0.35 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1sou h VAL 64 CO 0.00 0.53 0.00 0.18 0.02 0.00 0.00 177.57 178.31 1sou n LEU 65 N -4.07 0.15 0.00 2.57 4.77 0.47 -0.69 117.00 120.20 1sou n LEU 65 Ca -0.03 0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 56.44 1sou n LEU 65 Cb 0.57 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1sou n LEU 65 CO 0.49 -0.41 0.16 0.50 -1.33 0.00 0.00 177.39 176.80 1sou h LYS 66 N 0.00 -0.12 0.00 3.23 1.63 -1.38 -3.42 116.57 116.51 1sou h LYS 66 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1sou h LYS 66 Cb 0.19 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1sou h LYS 66 CO 0.00 0.15 0.00 -0.85 -3.45 0.00 0.00 179.45 175.30 1sou n GLU 67 N -4.83 1.86 -2.81 1.90 -0.00 -1.19 -5.10 120.64 110.47 1sou n GLU 67 Ca -0.04 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 56.90 1sou n GLU 67 Cb 0.16 -0.13 0.10 0.00 -0.00 0.00 0.00 31.44 31.56 1sou n GLU 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1sou s LYS 68 N -0.27 1.86 -0.31 3.44 1.02 0.13 -5.07 119.74 120.54 1sou s LYS 68 Ca 0.00 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 54.47 1sou s LYS 68 Cb 0.00 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1sou s LYS 68 CO 0.00 -1.27 0.11 -1.21 -0.92 0.00 0.00 175.35 172.05 1sou s GLU 69 N -4.96 3.04 -0.46 1.68 0.41 0.43 -4.58 118.70 114.25 1sou s GLU 69 Ca 0.66 -0.90 -0.26 0.00 -0.41 0.00 0.00 54.97 54.05 1sou s GLU 69 Cb -0.05 -3.44 0.03 0.00 -1.78 0.00 0.00 34.13 28.89 1sou s GLU 69 CO 0.43 -0.49 0.98 -1.17 -0.49 0.00 0.00 175.26 174.51 1sou s LEU 70 N 1.51 3.92 -0.37 1.80 2.96 0.45 -1.05 118.68 127.90 1sou s LEU 70 Ca 0.02 0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 54.02 1sou s LEU 70 Cb -0.18 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1sou s LEU 70 CO 0.03 -1.09 0.25 -0.63 -1.32 0.00 0.00 176.35 173.60 1sou s ILE 71 N 3.91 5.14 0.01 6.68 1.01 -0.13 -0.93 121.20 136.89 1sou s ILE 71 Ca 0.40 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1sou s ILE 71 Cb -0.09 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1sou s ILE 71 CO 0.27 -0.16 -0.01 -0.76 0.00 0.00 0.00 174.94 174.28 1sou s LEU 72 N 1.68 3.43 -0.28 2.97 1.43 -0.46 -1.29 118.68 126.15 1sou s LEU 72 Ca 0.05 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 1sou s LEU 72 Cb -0.18 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1sou s LEU 72 CO 0.09 0.27 0.73 -2.16 0.23 0.00 0.00 176.35 175.52 1sou s PRO 73 N -1.58 4.04 -0.24 1.29 0.05 -1.26 -0.42 135.00 136.87 1sou s PRO 73 Ca 0.19 0.61 -0.07 0.00 0.05 0.00 0.00 61.00 61.78 1sou s PRO 73 Cb -0.11 -3.69 -0.03 0.00 0.05 0.00 0.00 34.50 30.71 1sou s PRO 73 CO 0.10 -0.56 0.08 0.21 0.05 0.00 0.00 177.00 176.88 1sou s LYS 74 N 2.77 3.71 -0.59 4.56 2.20 0.40 -4.93 119.74 127.86 1sou s LYS 74 Ca 0.30 -0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 1sou s LYS 74 Cb -0.15 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1sou s LYS 74 CO 0.10 -0.13 1.28 0.08 -0.36 0.00 0.00 175.35 176.33 1sou s VAL 75 N 1.46 3.90 -0.45 4.02 1.01 -1.26 -0.38 120.40 128.71 1sou s VAL 75 Ca 0.06 0.78 0.26 0.00 0.00 0.00 0.00 61.98 63.07 1sou s VAL 75 Cb -0.15 -4.64 0.29 0.00 0.00 0.00 0.00 36.38 31.88 1sou s VAL 75 CO 0.04 -1.33 1.77 1.05 0.00 0.00 0.00 175.10 176.63 1sou h GLU 76 N 10.14 0.00 0.00 2.72 -0.00 -1.57 -3.45 114.58 122.42 1sou h GLU 76 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1sou h GLU 76 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 1sou h GLU 76 CO 1.19 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.61 1sou n GLY 77 N 0.40 1.11 0.00 1.06 0.00 -1.26 -4.95 105.19 101.55 1sou n GLY 77 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1sou n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sou n ASN 78 N 0.00 0.00 -4.89 1.61 2.85 -1.26 -5.12 115.26 108.45 1sou n ASN 78 Ca 0.00 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.27 1sou n ASN 78 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1sou s GLU 79 N -1.00 2.66 -0.13 1.20 2.12 -1.26 -4.77 118.70 117.51 1sou s GLU 79 Ca 0.00 -1.40 -0.04 0.00 0.36 0.00 0.00 54.97 53.90 1sou s GLU 79 Cb 0.00 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 1sou s GLU 79 CO 0.00 -0.09 -0.00 0.42 -0.54 0.00 0.00 175.26 175.05 1sou s ILE 80 N -2.39 4.23 -0.09 -3.70 1.01 -1.26 -1.32 121.20 117.69 1sou s ILE 80 Ca 0.46 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.90 1sou s ILE 80 Cb -0.05 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1sou s ILE 80 CO 0.28 0.53 -0.23 -0.55 0.00 0.00 0.00 174.94 174.97 1sou s SER 81 N -0.13 3.23 0.19 3.58 0.15 0.49 -4.92 113.70 116.31 1sou s SER 81 Ca 0.04 -0.50 -0.23 0.00 0.70 0.00 0.00 55.95 55.97 1sou s SER 81 Cb -0.13 -1.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.90 1sou s SER 81 CO 0.02 0.20 0.75 -0.76 1.20 0.00 0.00 173.24 174.65 1sou s LEU 82 N 0.11 4.47 -0.05 3.45 1.43 -1.26 -0.46 118.68 126.38 1sou s LEU 82 Ca -0.11 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.58 1sou s LEU 82 Cb -0.16 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1sou s LEU 82 CO 0.06 0.12 -0.19 -0.31 0.23 0.00 0.00 176.35 176.26 1sou s TYR 83 N -1.33 2.56 -0.47 0.29 2.02 0.44 -0.40 117.35 120.46 1sou s TYR 83 Ca 0.39 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.58 1sou s TYR 83 Cb -0.20 -1.60 0.08 0.00 -0.40 0.00 0.00 41.96 39.83 1sou s TYR 83 CO 0.23 0.03 0.38 0.50 -1.57 0.00 0.00 175.55 175.12 1sou s ARG 84 N -0.52 2.93 0.09 -0.62 3.52 0.49 -1.35 118.95 123.48 1sou s ARG 84 Ca 0.07 -1.38 0.04 0.00 -0.13 0.00 0.00 55.73 54.32 1sou s ARG 84 Cb -0.11 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 1sou s ARG 84 CO 0.01 -1.03 -0.10 0.08 -0.81 0.00 0.00 175.30 173.45 1sou s VAL 85 N 1.61 0.92 -0.33 7.11 1.01 -0.10 -4.32 120.40 126.30 1sou s VAL 85 Ca 0.04 -1.58 0.16 0.00 0.00 0.00 0.00 61.98 60.60 1sou s VAL 85 Cb -0.24 -1.29 0.45 0.00 0.00 0.00 0.00 36.38 35.29 1sou s VAL 85 CO 0.06 -0.52 1.19 0.00 0.00 0.00 0.00 175.10 175.83 1sou n HIS 86 N 0.67 -0.28 -3.60 5.22 1.44 -1.26 -0.41 115.22 116.99 1sou n HIS 86 Ca -0.17 -2.24 -0.08 0.00 -2.01 0.00 0.00 57.72 53.22 1sou n HIS 86 Cb 0.57 0.48 -0.05 0.00 0.12 0.00 0.00 29.99 31.12 1sou n HIS 86 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1sou s SER 87 N -2.46 -0.28 0.10 4.39 0.15 -1.26 -4.76 113.70 109.57 1sou s SER 87 Ca 0.23 0.34 -0.27 0.00 0.70 0.00 0.00 55.95 56.94 1sou s SER 87 Cb 0.41 0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 64.89 1sou s SER 87 CO -0.04 -0.24 1.45 -0.65 1.20 0.00 0.00 173.24 174.96 1sou h PRO 88 N 2.58 -0.42 0.00 5.44 0.11 -1.98 -3.42 132.00 134.31 1sou h PRO 88 Ca -0.17 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1sou h PRO 88 Cb 1.17 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sou h PRO 88 CO 0.27 -0.28 0.00 0.00 -0.21 0.00 0.00 178.00 177.78 1sou n ALA 89 N -2.95 0.00 -1.74 -0.75 0.00 -1.26 -0.60 120.51 113.21 1sou n ALA 89 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1sou n ALA 89 Cb 0.30 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.89 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N -2.21 3.83 0.00 0.00 1.43 0.23 -1.35 118.68 120.60 1sou s LEU 91 Ca 0.33 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1sou s LEU 91 Cb 0.33 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1sou s LEU 91 CO -0.07 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.06 1sou n GLY 92 N 4.30 6.84 3.02 -3.19 0.00 0.03 -4.87 105.19 111.32 1sou n GLY 92 Ca 0.13 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1sou n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sou s VAL 93 N 0.28 2.91 0.00 1.61 1.01 -1.26 -0.04 120.40 124.91 1sou s VAL 93 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.10 1sou s VAL 93 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1sou s VAL 93 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.94 1sou n GLY 94 N 3.62 0.28 3.67 4.51 0.00 -1.26 -4.88 105.19 111.13 1sou n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou s ALA 95 N -3.17 3.63 0.00 4.61 0.00 -1.26 -3.89 121.76 121.68 1sou s ALA 95 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1sou s ALA 95 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1sou s ALA 95 CO 0.00 -1.20 0.00 0.34 0.00 0.00 0.00 175.76 174.90 1sou n PHE 96 N 6.32 0.00 0.00 0.00 7.35 -1.26 -2.93 117.46 126.94 1sou n PHE 96 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1sou n PHE 96 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sou n GLY 97 N 0.00 0.02 3.93 7.13 0.00 -1.25 -5.14 105.19 109.88 1sou n GLY 97 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N -0.88 2.14 -0.55 -0.61 -4.36 -1.15 -4.90 121.20 110.90 1sou s ILE 98 Ca 0.00 -0.20 -0.26 0.00 -0.26 0.00 0.00 60.65 59.93 1sou s ILE 98 Cb 0.00 -2.94 -0.06 0.00 1.25 0.00 0.00 42.46 40.71 1sou s ILE 98 CO 0.00 0.00 2.26 -0.04 0.24 0.00 0.00 174.94 177.40 1sou s MET 99 N -5.45 2.21 -0.31 0.37 -1.94 -1.26 -4.07 119.30 108.85 1sou s MET 99 Ca 0.65 1.12 -0.06 0.00 -1.71 0.00 0.00 55.69 55.69 1sou s MET 99 Cb -0.08 -4.55 0.03 0.00 2.01 0.00 0.00 34.83 32.23 1sou s MET 99 CO 0.47 -3.21 0.07 -2.00 -0.01 0.00 0.00 175.02 170.34 1sou s GLU 100 N 7.97 2.75 -0.43 2.03 -6.30 0.94 -4.89 118.70 120.77 1sou s GLU 100 Ca 0.89 -1.08 -0.28 0.00 -2.50 0.00 0.00 54.97 52.01 1sou s GLU 100 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 34.13 30.60 1sou s GLU 100 CO 0.23 -0.57 1.84 -2.14 0.02 0.00 0.00 175.26 174.64 1sou s PRO 101 N 1.41 3.05 0.19 4.30 0.02 -1.26 -0.79 135.00 141.92 1sou s PRO 101 Ca -0.01 1.16 -0.09 0.00 0.02 0.00 0.00 61.00 62.08 1sou s PRO 101 Cb -0.19 -4.27 0.11 0.00 0.02 0.00 0.00 34.50 30.17 1sou s PRO 101 CO 0.02 -2.20 1.72 0.28 -0.33 0.00 0.00 177.00 176.48 1sou h VAL 102 N 6.87 1.26 -4.63 3.83 2.07 -1.57 -3.46 116.25 120.62 1sou h VAL 102 Ca -0.31 -0.92 -0.47 0.00 0.82 0.00 0.00 66.70 65.82 1sou h VAL 102 Cb 1.17 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.39 1sou h VAL 102 CO 1.10 0.35 -0.38 -0.62 0.02 0.00 0.00 177.57 178.05 1sou n GLU 103 N -4.29 0.77 0.00 1.57 -0.58 -1.26 -5.12 120.64 111.74 1sou n GLU 103 Ca 0.05 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 1sou n GLU 103 Cb 0.24 1.27 0.00 0.00 -0.57 0.00 0.00 31.44 32.38 1sou n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sou n GLY 104 N -0.07 0.74 3.53 0.62 0.00 -1.26 -4.93 105.19 103.82 1sou n GLY 104 Ca -0.09 -2.30 -0.27 0.00 0.00 0.00 0.00 46.02 43.37 1sou n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sou s GLU 105 N -0.80 1.92 0.48 1.61 0.41 -1.26 -4.98 118.70 116.08 1sou s GLU 105 Ca 0.00 -1.33 -0.06 0.00 -0.41 0.00 0.00 54.97 53.16 1sou s GLU 105 Cb 0.00 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 1sou s GLU 105 CO 0.00 0.43 0.80 1.03 -0.49 0.00 0.00 175.26 177.03 1sou s ARG 106 N -2.77 3.58 -0.12 1.61 0.52 -1.26 -0.38 118.95 120.13 1sou s ARG 106 Ca 0.24 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 1sou s ARG 106 Cb -0.09 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1sou s ARG 106 CO 0.14 -0.21 -0.19 0.08 0.02 0.00 0.00 175.30 175.14 1sou s VAL 107 N -2.73 1.77 0.37 3.52 1.01 0.46 -4.70 120.40 120.10 1sou s VAL 107 Ca 0.48 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1sou s VAL 107 Cb -0.10 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 1sou s VAL 107 CO 0.44 0.49 0.80 0.20 0.00 0.00 0.00 175.10 177.03 1sou s ASN 108 N 0.82 6.72 0.67 3.32 0.01 -1.26 -4.09 114.94 121.13 1sou s ASN 108 Ca -0.09 1.33 0.36 0.00 -0.71 0.00 0.00 52.86 53.75 1sou s ASN 108 Cb -0.16 -2.40 1.97 0.00 0.41 0.00 0.00 41.25 41.08 1sou s ASN 108 CO -0.00 -0.31 2.11 -0.65 -1.51 0.00 0.00 177.10 176.74 1sou h PRO 109 N 1.85 0.00 0.00 -0.60 0.11 -1.94 0.06 132.00 131.47 1sou h PRO 109 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sou h PRO 109 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sou h PRO 109 CO 0.64 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.52 1sou n GLU 110 N -2.98 0.05 -0.05 1.05 4.07 -1.26 -2.39 120.64 119.13 1sou n GLU 110 Ca -0.02 0.08 0.05 0.00 -0.06 0.00 0.00 57.16 57.21 1sou n GLU 110 Cb 0.25 -1.50 0.07 0.00 -0.06 0.00 0.00 31.44 30.20 1sou n GLU 110 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1sou n ASP 111 N -1.47 2.16 -4.58 4.31 2.03 0.01 -4.95 116.55 114.05 1sou n ASP 111 Ca 0.07 -1.60 -0.42 0.00 0.52 0.00 0.00 54.79 53.36 1sou n ASP 111 Cb 0.27 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 1sou n ASP 111 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sou s VAL 112 N -0.92 3.74 -0.16 5.18 1.01 -1.01 -4.85 120.40 123.40 1sou s VAL 112 Ca 0.15 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1sou s VAL 112 Cb 0.10 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1sou s VAL 112 CO 0.14 -0.91 0.20 -0.78 0.00 0.00 0.00 175.10 173.75 1sou h ASP 113 N 11.58 0.00 -3.64 3.32 3.58 -1.90 -3.34 116.42 126.02 1sou h ASP 113 Ca -0.28 -0.40 -0.44 0.00 0.42 0.00 0.00 57.03 56.33 1sou h ASP 113 Cb 1.11 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.84 1sou h ASP 113 CO 1.13 1.06 -0.79 0.12 -2.88 0.00 0.00 179.24 177.88 1sou s PHE 114 N -2.18 0.99 -0.01 0.28 2.19 0.19 -2.24 117.98 117.19 1sou s PHE 114 Ca -0.19 -0.28 0.02 0.00 0.33 0.00 0.00 56.93 56.81 1sou s PHE 114 Cb 0.02 -0.75 -0.00 0.00 -1.31 0.00 0.00 43.02 40.98 1sou s PHE 114 CO 0.43 -0.16 -0.08 -1.50 1.83 0.00 0.00 175.22 175.74 1sou s ILE 115 N 0.48 0.63 -0.27 3.12 2.07 -0.80 -0.40 121.20 126.04 1sou s ILE 115 Ca -0.08 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 58.84 1sou s ILE 115 Cb -0.12 -0.54 0.05 0.00 0.13 0.00 0.00 42.46 41.98 1sou s ILE 115 CO 0.01 0.19 -0.07 0.00 -1.91 0.00 0.00 174.94 173.15 1sou s ALA 116 N -0.08 2.65 -0.19 1.50 0.00 0.47 -0.77 121.76 125.34 1sou s ALA 116 Ca 0.02 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1sou s ALA 116 Cb -0.04 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1sou s ALA 116 CO -0.00 -1.10 -0.15 0.54 0.00 0.00 0.00 175.76 175.05 1sou s VAL 117 N 1.20 1.81 -1.29 0.00 0.11 -0.09 -2.41 120.40 119.72 1sou s VAL 117 Ca -0.05 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.93 1sou s VAL 117 Cb -0.19 -1.75 0.14 0.00 -1.53 0.00 0.00 36.38 33.04 1sou s VAL 117 CO -0.04 0.35 1.80 -0.81 -3.33 0.00 0.00 175.10 173.06 1sou n PRO 118 N 4.66 3.38 -0.88 1.54 -0.04 -1.26 -1.97 135.00 140.43 1sou n PRO 118 Ca -0.17 -3.44 -0.31 0.00 -0.04 0.00 0.00 63.50 59.54 1sou n PRO 118 Cb 0.48 -3.08 0.14 0.00 -0.04 0.00 0.00 33.50 31.00 1sou n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sou s GLY 119 N 2.16 1.69 0.01 0.55 0.00 -1.26 -4.91 107.32 105.56 1sou s GLY 119 Ca 0.43 0.50 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 1sou s GLY 119 CO -0.00 0.90 1.40 -2.08 0.00 0.00 0.00 173.10 173.32 1sou h VAL 120 N -1.63 1.26 -2.73 1.40 2.07 -1.94 -3.47 116.25 111.21 1sou h VAL 120 Ca -0.43 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 1sou h VAL 120 Cb 1.26 1.81 -0.22 0.00 -1.52 0.00 0.00 31.29 32.61 1sou h VAL 120 CO 0.45 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 178.06 1sou s ALA 121 N -4.83 -1.05 0.29 1.67 0.00 -1.26 -4.83 121.76 111.75 1sou s ALA 121 Ca -0.15 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1sou s ALA 121 Cb 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1sou s ALA 121 CO 0.67 -0.25 0.09 -0.06 0.00 0.00 0.00 175.76 176.21 1sou s PHE 122 N -0.51 1.70 0.39 0.00 0.08 -0.42 -3.14 117.98 116.08 1sou s PHE 122 Ca -0.06 -1.11 0.03 0.00 0.12 0.00 0.00 56.93 55.90 1sou s PHE 122 Cb -0.03 -1.04 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1sou s PHE 122 CO 0.03 -0.22 0.24 -0.40 -0.10 0.00 0.00 175.22 174.77 1sou n ASP 123 N -0.58 2.41 -0.21 1.36 5.68 -0.95 -0.41 116.55 123.85 1sou n ASP 123 Ca -0.01 -2.42 0.04 0.00 -0.50 0.00 0.00 54.79 51.90 1sou n ASP 123 Cb 0.66 0.02 0.15 0.00 -1.14 0.00 0.00 41.12 40.82 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sou n LEU 124 N 0.00 0.62 -0.05 -2.12 4.77 -0.47 -2.95 117.00 116.81 1sou n LEU 124 Ca -0.04 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.60 1sou n LEU 124 Cb 0.46 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1sou n LEU 124 CO 0.26 0.15 -0.82 1.21 -1.33 0.00 0.00 177.39 176.86 1sou n GLU 125 N -0.21 1.99 0.00 3.23 2.13 -1.26 -5.02 120.64 121.50 1sou n GLU 125 Ca 0.06 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1sou n GLU 125 Cb 0.11 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 2.27 1.42 3.95 8.31 0.00 -1.15 -4.85 105.19 115.14 1sou n GLY 126 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -1.79 3.39 0.03 1.61 1.51 -1.26 -0.44 117.35 120.39 1sou s TYR 127 Ca 0.00 0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 56.35 1sou s TYR 127 Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1sou s TYR 127 CO 0.00 -0.05 0.15 -0.98 -1.11 0.00 0.00 175.55 173.56 1sou s ARG 128 N -4.40 3.26 0.00 -0.62 1.70 -1.26 -2.25 118.95 115.38 1sou s ARG 128 Ca 0.43 -0.46 -0.25 0.00 -0.47 0.00 0.00 55.73 54.99 1sou s ARG 128 Cb -0.10 -2.96 -0.14 0.00 -0.57 0.00 0.00 34.95 31.18 1sou s ARG 128 CO 0.37 0.63 1.07 1.25 -1.08 0.00 0.00 175.30 177.54 1sou h LEU 129 N 3.58 -0.63 0.00 -1.89 5.85 -1.87 -3.47 115.31 116.88 1sou h LEU 129 Ca -0.47 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1sou h LEU 129 Cb 1.17 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1sou h LEU 129 CO 0.69 -0.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1sou n GLY 130 N -0.40 1.67 3.62 3.75 0.00 -1.26 -4.85 105.19 107.72 1sou n GLY 130 Ca -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1sou n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sou s PHE 131 N 0.00 -1.04 0.00 1.61 5.36 -1.26 -4.98 117.98 117.67 1sou s PHE 131 Ca 0.00 1.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1sou s PHE 131 Cb 0.00 0.62 0.00 0.00 -0.34 0.00 0.00 43.02 43.30 1sou s PHE 131 CO 0.00 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 1sou n GLY 132 N 4.59 3.92 3.47 13.12 0.00 -1.26 -5.00 105.19 124.04 1sou n GLY 132 Ca -0.17 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1sou n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sou s LYS 133 N -2.64 2.25 0.00 1.61 2.20 -1.26 -4.63 119.74 117.27 1sou s LYS 133 Ca 0.00 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1sou s LYS 133 Cb 0.00 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1sou s LYS 133 CO 0.00 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1sou n GLY 134 N 1.82 0.59 2.78 5.54 0.00 -1.26 -3.39 105.19 111.26 1sou n GLY 134 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1sou n GLY 134 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sou n TYR 135 N -2.37 -1.75 0.29 1.61 9.36 -1.26 -4.88 117.16 118.15 1sou n TYR 135 Ca 0.00 0.64 0.16 0.00 3.32 0.00 0.00 57.90 62.02 1sou n TYR 135 Cb 0.05 -3.84 0.86 0.00 -0.63 0.00 0.00 39.34 35.79 1sou n TYR 135 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1sou h TYR 136 N -0.94 0.00 0.00 2.98 0.05 -1.90 0.22 116.97 117.38 1sou h TYR 136 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1sou h TYR 136 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1sou h TYR 136 CO 0.25 0.06 0.00 -0.40 -1.05 0.00 0.00 178.16 177.01 1sou n ASP 137 N -3.44 0.00 -0.12 3.88 5.75 -1.26 -1.63 116.55 119.73 1sou n ASP 137 Ca -0.02 -1.27 -0.11 0.00 -0.01 0.00 0.00 54.79 53.38 1sou n ASP 137 Cb 0.19 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1sou n ASP 137 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1sou h ARG 138 N 0.00 0.62 -0.16 0.11 2.43 -1.30 0.37 114.38 116.46 1sou h ARG 138 Ca 0.00 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1sou h ARG 138 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sou h ARG 138 CO 0.00 0.76 -0.38 1.25 -1.51 0.00 0.00 179.97 180.09 1sou h LEU 139 N 0.42 0.61 -0.91 3.80 6.46 -1.52 -3.13 115.31 121.04 1sou h LEU 139 Ca 0.09 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1sou h LEU 139 Cb 0.50 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 1sou h LEU 139 CO 0.02 1.07 0.59 -0.07 -0.62 0.00 0.00 178.44 179.43 1sou h LEU 140 N 0.18 0.95 -2.30 2.25 3.38 -1.47 -0.48 115.31 117.83 1sou h LEU 140 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sou h LEU 140 Cb 0.99 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1sou h LEU 140 CO 0.08 0.64 -0.04 0.11 0.09 0.00 0.00 178.44 179.32 1sou h LYS 141 N 1.10 0.00 0.00 1.13 6.56 -0.25 -1.45 116.57 123.66 1sou h LYS 141 Ca 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 1sou h LYS 141 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1sou h LYS 141 CO -0.14 0.04 -0.96 -2.13 -2.06 0.00 0.00 179.45 174.19 1sou n ARG 142 N -3.80 0.16 -1.70 3.15 0.63 -0.32 -4.81 116.66 109.97 1sou n ARG 142 Ca -0.03 -0.01 -0.35 0.00 -0.92 0.00 0.00 57.85 56.54 1sou n ARG 142 Cb 0.13 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1sou s VAL 143 N -3.11 3.11 -1.35 5.15 1.01 -0.45 -4.75 120.40 120.00 1sou s VAL 143 Ca 0.06 0.04 0.15 0.00 0.00 0.00 0.00 61.98 62.23 1sou s VAL 143 Cb 0.16 -3.28 0.55 0.00 0.00 0.00 0.00 36.38 33.81 1sou s VAL 143 CO 0.81 -0.27 1.43 1.17 0.00 0.00 0.00 175.10 178.24 1sou n LYS 144 N 9.04 3.00 -0.58 2.72 4.81 -1.26 -4.90 118.16 130.99 1sou n LYS 144 Ca 0.33 -2.18 0.00 0.00 -0.87 0.00 0.00 58.31 55.59 1sou n LYS 144 Cb 0.53 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 145 N 1.02 1.71 3.62 3.14 0.00 -1.25 -5.03 105.19 108.39 1sou n GLY 145 Ca 0.20 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 3.76 -0.36 0.99 2.96 -0.95 -4.97 118.68 120.11 1sou s LEU 146 Ca 0.00 0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 54.55 1sou s LEU 146 Cb 0.00 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 1sou s LEU 146 CO 0.00 -1.13 0.51 -0.54 -1.32 0.00 0.00 176.35 173.87 1sou s LYS 147 N 4.22 3.56 -0.27 1.98 1.02 -1.26 -1.90 119.74 127.08 1sou s LYS 147 Ca 0.50 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 56.21 1sou s LYS 147 Cb -0.11 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.38 1sou s LYS 147 CO 0.25 -0.68 0.04 0.08 -0.92 0.00 0.00 175.35 174.12 1sou s VAL 148 N 2.39 3.70 -0.08 3.17 1.01 0.05 -1.45 120.40 129.19 1sou s VAL 148 Ca 0.18 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1sou s VAL 148 Cb -0.15 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1sou s VAL 148 CO 0.14 0.16 0.62 -0.83 0.00 0.00 0.00 175.10 175.18 1sou s GLY 149 N 1.47 2.54 -0.29 4.51 0.00 0.43 -0.91 107.32 115.07 1sou s GLY 149 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 1sou s GLY 149 CO 0.00 1.02 -0.02 0.14 0.00 0.00 0.00 173.10 174.25 1sou s VAL 150 N 0.69 2.84 0.26 1.40 1.01 -0.83 -0.70 120.40 125.06 1sou s VAL 150 Ca 0.33 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 1sou s VAL 150 Cb -0.17 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1sou s VAL 150 CO 0.15 -0.10 0.78 0.00 0.00 0.00 0.00 175.10 175.93 1sou s ALA 151 N 1.22 -1.28 0.63 5.51 0.00 -0.96 -4.29 121.76 122.60 1sou s ALA 151 Ca -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1sou s ALA 151 Cb -0.20 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1sou s ALA 151 CO -0.02 -1.04 0.89 0.71 0.00 0.00 0.00 175.76 176.31 1sou s TYR 152 N -3.62 2.67 0.48 0.00 2.02 -1.26 -3.83 117.35 113.82 1sou s TYR 152 Ca 0.12 0.10 0.18 0.00 -0.37 0.00 0.00 57.07 57.11 1sou s TYR 152 Cb -0.05 -2.96 1.25 0.00 -0.40 0.00 0.00 41.96 39.80 1sou s TYR 152 CO 0.06 -1.20 2.08 0.77 -1.57 0.00 0.00 175.55 175.69 1sou h SER 153 N -0.27 0.00 -0.23 2.29 0.02 -1.95 -0.32 113.55 113.09 1sou h SER 153 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1sou h SER 153 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1sou h SER 153 CO 0.53 0.10 0.00 2.22 -1.14 0.00 0.00 176.83 178.53 1sou n PHE 154 N -4.24 0.35 0.75 3.45 -1.74 -1.26 -1.90 117.46 112.87 1sou n PHE 154 Ca -0.03 -0.17 0.08 0.00 -0.56 0.00 0.00 57.45 56.78 1sou n PHE 154 Cb 0.18 -0.02 -0.05 0.00 1.52 0.00 0.00 39.48 41.11 1sou n PHE 154 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1sou n GLN 155 N 0.20 1.70 -3.86 3.97 3.00 -0.13 -4.93 117.38 117.33 1sou n GLN 155 Ca 0.08 -0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 56.33 1sou n GLN 155 Cb 0.23 -1.27 -0.14 0.00 0.00 0.00 0.00 30.24 29.07 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1sou s VAL 156 N -2.25 3.48 0.54 5.09 1.01 -0.80 -1.30 120.40 126.17 1sou s VAL 156 Ca 0.10 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1sou s VAL 156 Cb 0.13 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1sou s VAL 156 CO 0.55 0.23 0.55 0.49 0.00 0.00 0.00 175.10 176.91 1sou n PHE 157 N 4.79 -1.30 -0.02 5.22 3.72 0.46 -4.95 117.46 125.38 1sou n PHE 157 Ca -0.16 -2.15 -0.16 0.00 -0.05 0.00 0.00 57.45 54.92 1sou n PHE 157 Cb 0.49 -0.47 -0.12 0.00 -0.94 0.00 0.00 39.48 38.44 1sou n PHE 157 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sou h GLU 158 N 0.00 0.22 -2.86 -1.08 5.08 -1.92 -1.25 114.58 112.78 1sou h GLU 158 Ca -0.30 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 57.68 1sou h GLU 158 Cb 1.21 0.07 -0.22 0.00 0.50 0.00 0.00 28.75 30.31 1sou h GLU 158 CO 0.46 0.99 -0.25 -0.98 -1.00 0.00 0.00 179.01 178.23 1sou s ARG 159 N -3.01 0.56 0.05 2.33 1.70 -1.26 -2.01 118.95 117.31 1sou s ARG 159 Ca -0.15 0.24 0.06 0.00 -0.47 0.00 0.00 55.73 55.41 1sou s ARG 159 Cb 0.01 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1sou s ARG 159 CO 0.76 -0.12 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.20 1sou s LEU 160 N -0.44 2.21 -0.10 -1.89 1.43 -1.26 -4.96 118.68 113.66 1sou s LEU 160 Ca -0.06 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 1sou s LEU 160 Cb -0.04 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 1sou s LEU 160 CO 0.02 0.03 2.09 -2.84 0.23 0.00 0.00 176.35 175.88 1sou s PRO 161 N -1.38 3.61 0.02 1.29 0.02 -1.26 -4.97 135.00 132.33 1sou s PRO 161 Ca 0.02 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1sou s PRO 161 Cb -0.09 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.12 1sou s PRO 161 CO 0.02 -1.56 0.10 1.03 -0.33 0.00 0.00 177.00 176.25 1sou s ARG 162 N 5.45 3.06 -0.00 5.54 0.52 -1.26 -4.85 118.95 127.41 1sou s ARG 162 Ca 0.94 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 55.61 1sou s ARG 162 Cb -0.37 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 1sou s ARG 162 CO 0.38 0.62 0.51 -0.44 0.02 0.00 0.00 175.30 176.39 1sou h ASP 163 N 3.78 -0.05 0.00 0.23 5.19 -1.92 -3.50 116.42 120.15 1sou h ASP 163 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1sou h ASP 163 Cb 1.18 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1sou h ASP 163 CO 0.65 -0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.75 1sou n ALA 164 N -2.06 0.09 -3.62 3.45 0.00 -1.26 -5.04 120.51 112.08 1sou n ALA 164 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1sou n ALA 164 Cb 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 1sou n ALA 164 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sou n TRP 165 N -0.45 3.44 -2.15 0.00 8.01 -1.26 -5.07 117.44 119.96 1sou n TRP 165 Ca 0.00 -4.22 -0.10 0.00 -1.31 0.00 0.00 57.50 51.87 1sou n TRP 165 Cb 0.00 -0.58 0.06 0.00 -2.01 0.00 0.00 31.31 28.78 1sou n TRP 165 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1sou n ASP 166 N 1.32 0.44 -4.68 -0.99 -0.08 -1.26 -5.06 116.55 106.24 1sou n ASP 166 Ca 0.26 -1.41 -0.38 0.00 -1.51 0.00 0.00 54.79 51.75 1sou n ASP 166 Cb 0.39 -0.31 -0.08 0.00 2.34 0.00 0.00 41.12 43.46 1sou n ASP 166 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1sou s ILE 167 N -1.42 5.22 0.33 5.18 2.07 -1.26 -5.05 121.20 126.27 1sou s ILE 167 Ca 0.29 0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 60.19 1sou s ILE 167 Cb -0.01 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 1sou s ILE 167 CO 0.19 0.27 0.54 -2.16 -1.91 0.00 0.00 174.94 171.88 1sou s PRO 168 N 1.20 3.52 0.11 3.50 0.04 -1.26 -4.10 135.00 138.00 1sou s PRO 168 Ca 0.18 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 1sou s PRO 168 Cb -0.14 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1sou s PRO 168 CO 0.07 0.17 0.37 0.14 0.04 0.00 0.00 177.00 177.79 1sou s VAL 169 N -2.25 5.17 -0.08 -0.36 -7.23 0.41 -4.95 120.40 111.11 1sou s VAL 169 Ca 0.41 0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 60.58 1sou s VAL 169 Cb -0.10 -3.62 -0.29 0.00 0.56 0.00 0.00 36.38 32.93 1sou s VAL 169 CO 0.35 0.15 0.64 0.44 -0.31 0.00 0.00 175.10 176.37 1sou h ASP 170 N 3.23 0.46 -3.75 4.85 3.32 -1.60 -3.45 116.42 119.47 1sou h ASP 170 Ca -0.47 -0.89 -0.58 0.00 0.02 0.00 0.00 57.03 55.11 1sou h ASP 170 Cb 1.18 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.26 1sou h ASP 170 CO 0.70 1.62 -0.84 -0.69 -1.72 0.00 0.00 179.24 178.31 1sou s VAL 171 N -2.49 1.51 -0.29 -1.35 1.01 -0.53 -3.11 120.40 115.15 1sou s VAL 171 Ca -0.18 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1sou s VAL 171 Cb 0.04 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.19 1sou s VAL 171 CO 0.80 0.43 -0.01 -0.22 0.00 0.00 0.00 175.10 176.10 1sou s LEU 172 N 0.17 3.70 -0.14 3.92 2.96 0.57 -0.43 118.68 129.43 1sou s LEU 172 Ca -0.08 -1.69 -0.19 0.00 -0.22 0.00 0.00 54.13 51.96 1sou s LEU 172 Cb -0.13 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1sou s LEU 172 CO 0.03 -0.30 0.51 -0.69 -1.32 0.00 0.00 176.35 174.59 1sou s VAL 173 N 1.13 5.15 0.00 1.68 1.01 0.12 -0.89 120.40 128.59 1sou s VAL 173 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1sou s VAL 173 Cb -0.19 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1sou s VAL 173 CO -0.08 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.63 1sou n THR 174 N 3.99 0.00 0.63 3.92 -2.24 -0.65 -2.25 114.28 117.68 1sou n THR 174 Ca -0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1sou n THR 174 Cb 0.51 -0.47 0.30 0.00 -2.10 0.00 0.00 70.33 68.56 1sou n THR 174 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sou n GLU 175 N -0.30 0.26 -0.07 -0.78 0.00 -1.25 -4.26 120.64 114.24 1sou n GLU 175 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 57.16 57.24 1sou n GLU 175 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 31.44 29.69 1sou n GLU 175 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sou n LYS 176 N -2.14 0.47 -3.93 3.44 5.02 -1.26 -4.66 118.16 115.10 1sou n LYS 176 Ca 0.05 0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 56.72 1sou n LYS 176 Cb 0.43 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sou s ASN 177 N -5.78 -0.13 -0.54 4.39 4.22 -1.26 -5.04 114.94 110.80 1sou s ASN 177 Ca -0.18 -0.82 -0.26 0.00 -2.14 0.00 0.00 52.86 49.47 1sou s ASN 177 Cb 0.02 0.66 0.04 0.00 1.28 0.00 0.00 41.25 43.25 1sou s ASN 177 CO 0.26 -1.26 1.02 -0.69 -2.04 0.00 0.00 177.10 174.40 1sou s VAL 178 N -3.88 4.28 -0.74 3.54 1.01 -1.26 -1.64 120.40 121.70 1sou s VAL 178 Ca 0.18 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 1sou s VAL 178 Cb -0.03 -4.58 0.18 0.00 0.00 0.00 0.00 36.38 31.95 1sou s VAL 178 CO 0.09 -1.14 0.72 -0.13 0.00 0.00 0.00 175.10 174.63 1sou s ARG 179 N 4.25 3.41 -0.47 2.72 0.52 -0.07 -4.96 118.95 124.35 1sou s ARG 179 Ca 0.36 -2.15 -0.28 0.00 -0.52 0.00 0.00 55.73 53.14 1sou s ARG 179 Cb -0.10 -4.42 -0.00 0.00 0.52 0.00 0.00 34.95 30.95 1sou s ARG 179 CO 0.23 -1.35 1.61 0.50 0.02 0.00 0.00 175.30 176.31 1sou s ARG 180 N 0.86 3.25 0.59 3.54 3.52 -1.26 -0.32 118.95 129.13 1sou s ARG 180 Ca 0.15 0.87 0.29 0.00 -0.13 0.00 0.00 55.73 56.91 1sou s ARG 180 Cb -0.16 -4.17 1.65 0.00 -1.56 0.00 0.00 34.95 30.71 1sou s ARG 180 CO -0.05 -1.98 2.09 -0.07 -0.81 0.00 0.00 175.30 174.49 1sou h LEU 181 N 13.68 0.00 -7.00 -0.88 3.38 -1.89 -3.39 115.31 119.22 1sou h LEU 181 Ca -0.29 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1sou h LEU 181 Cb 1.13 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.66 1sou h LEU 181 CO 1.12 0.00 0.10 -0.60 0.09 0.00 0.00 178.44 179.15 1sou s ARG 182 N -4.63 0.65 0.00 1.13 6.06 -1.26 -5.11 118.95 115.79 1sou s ARG 182 Ca -0.05 1.11 0.00 0.00 -2.50 0.00 0.00 55.73 54.29 1sou s ARG 182 Cb 0.15 0.14 0.00 0.00 0.06 0.00 0.00 34.95 35.30 1sou s ARG 182 CO 0.55 -0.13 0.00 -0.40 -2.50 0.00 0.00 175.30 172.81 1sou n ASP 183 N 4.11 0.00 0.00 -2.12 5.68 -1.26 -4.86 116.55 118.10 1sou n ASP 183 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1sou n ASP 183 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sou n GLY 184 N 2.92 0.70 3.57 6.12 0.00 -1.26 -4.82 105.19 112.42 1sou n GLY 184 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1sou n GLY 184 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sou s ARG 185 N 0.00 2.57 0.01 1.61 3.52 -1.26 -4.93 118.95 120.47 1sou s ARG 185 Ca 0.00 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1sou s ARG 185 Cb 0.00 -4.46 -0.01 0.00 -1.56 0.00 0.00 34.95 28.92 1sou s ARG 185 CO 0.00 -2.75 -0.02 -1.54 -0.81 0.00 0.00 175.30 170.18 1sou s SER 186 N 9.88 0.19 -0.20 -2.12 1.04 -1.26 -5.14 113.70 116.09 1sou s SER 186 Ca 0.91 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 57.04 1sou s SER 186 Cb -0.20 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1sou s SER 186 CO 0.28 -0.12 0.08 -0.22 0.98 0.00 0.00 173.24 174.24 1sou s LEU 187 N -0.64 3.82 -1.21 2.42 2.96 -1.26 -5.01 118.68 119.76 1sou s LEU 187 Ca -0.06 0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.70 1sou s LEU 187 Cb -0.04 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1sou s LEU 187 CO -0.00 0.14 1.80 -0.70 -1.32 0.00 0.00 176.35 176.27 1sou s GLU 188 N 0.58 3.30 0.49 1.98 2.12 -1.26 -4.69 118.70 121.22 1sou s GLU 188 Ca 0.04 -1.52 0.28 0.00 0.36 0.00 0.00 54.97 54.13 1sou s GLU 188 Cb -0.13 -5.39 0.79 0.00 0.26 0.00 0.00 34.13 29.67 1sou s GLU 188 CO 0.01 -2.99 1.77 0.45 -0.54 0.00 0.00 175.26 173.97 1sou h HIS 189 N 8.77 0.00 -2.91 5.30 3.86 -2.01 -3.41 115.15 124.76 1sou h HIS 189 Ca 0.32 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 59.06 1sou h HIS 189 Cb 0.91 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.98 1sou h HIS 189 CO 1.32 0.00 -0.75 -1.58 0.86 0.00 0.00 177.93 177.78 1sou s HIS 190 N -3.41 0.19 0.33 2.45 5.65 -1.26 -5.02 115.29 114.22 1sou s HIS 190 Ca 0.04 -0.48 0.03 0.00 0.25 0.00 0.00 55.06 54.91 1sou s HIS 190 Cb 0.07 -0.74 0.63 0.00 -1.18 0.00 0.00 32.58 31.36 1sou s HIS 190 CO 0.61 -0.64 1.94 1.25 -0.65 0.00 0.00 174.74 177.26 1sou h HIS 191 N 8.41 0.90 -2.29 3.88 2.76 -2.00 -3.37 115.15 123.43 1sou h HIS 191 Ca -0.17 0.02 -0.55 0.00 -2.20 0.00 0.00 60.37 57.47 1sou h HIS 191 Cb 1.10 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1sou h HIS 191 CO 0.20 0.49 1.37 -1.01 -1.30 0.00 0.00 177.93 177.68 1sou s HIS 192 N -5.79 1.58 0.05 5.26 3.76 -1.26 -4.96 115.29 113.93 1sou s HIS 192 Ca -0.11 0.76 -0.22 0.00 -0.15 0.00 0.00 55.06 55.34 1sou s HIS 192 Cb 0.19 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.80 1sou s HIS 192 CO 0.78 -2.96 0.65 -1.58 -0.85 0.00 0.00 174.74 170.78 1sou s HIS 193 N 8.20 3.75 -2.65 1.40 2.46 -1.26 -5.14 115.29 122.06 1sou s HIS 193 Ca 0.83 1.34 0.27 0.00 0.47 0.00 0.00 55.06 57.96 1sou s HIS 193 Cb -0.22 -2.65 0.79 0.00 -0.13 0.00 0.00 32.58 30.38 1sou s HIS 193 CO 0.30 0.41 1.60 -2.39 -2.47 0.00 0.00 174.74 172.20