#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r n LEU 2 N 0.00 -5.01 -0.01 3.17 4.77 -1.26 -4.93 117.00 113.74 2x9r n LEU 2 Ca 0.00 2.86 -0.22 0.00 -0.03 0.00 0.00 56.01 58.63 2x9r n LEU 2 Cb 0.00 -2.89 -0.14 0.00 -2.33 0.00 0.00 43.42 38.07 2x9r n LEU 2 CO 0.00 -0.93 -0.64 0.71 -1.33 0.00 0.00 177.39 175.19 2x9r h THR 3 N 3.43 0.80 -3.36 -5.08 1.35 -2.06 -3.44 112.91 104.54 2x9r h THR 3 Ca 0.00 -2.34 -0.54 0.00 -0.55 0.00 0.00 66.41 62.97 2x9r h THR 3 Cb 0.00 2.53 -0.39 0.00 -1.73 0.00 0.00 68.15 68.55 2x9r h THR 3 CO 0.00 0.75 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.63 2x9r s ASP 4 N -7.04 3.19 0.09 5.36 2.15 -1.26 -5.00 116.67 114.16 2x9r s ASP 4 Ca -0.22 -0.94 -0.33 0.00 0.43 0.00 0.00 52.55 51.49 2x9r s ASP 4 Cb 0.06 -0.76 -0.16 0.00 -0.30 0.00 0.00 42.92 41.77 2x9r s ASP 4 CO 0.75 -0.29 1.60 -0.65 -0.17 0.00 0.00 175.17 176.41 2x9r h PRO 5 N 8.16 -0.83 -0.42 4.34 0.11 -1.96 -3.04 132.00 138.36 2x9r h PRO 5 Ca -0.16 0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.04 2x9r h PRO 5 Cb 1.10 0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 2x9r h PRO 5 CO 0.36 -0.56 -0.33 0.82 -0.21 0.00 0.00 178.00 178.08 2x9r h ILE 6 N -0.87 0.00 -1.07 4.15 5.03 -2.00 0.47 117.51 123.23 2x9r h ILE 6 Ca -0.05 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 64.99 2x9r h ILE 6 Cb 0.73 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.47 2x9r h ILE 6 CO 0.01 0.00 0.75 0.00 -0.68 0.00 0.00 178.15 178.23 2x9r h ALA 7 N -0.34 2.85 0.46 1.87 0.00 -1.97 0.51 119.26 122.63 2x9r h ALA 7 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2x9r h ALA 7 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x9r h ALA 7 CO -0.45 -1.17 -0.22 0.22 0.00 0.00 0.00 179.25 177.63 2x9r h ASP 8 N 0.09 -0.52 -0.47 0.00 3.58 -0.00 -1.32 116.42 117.78 2x9r h ASP 8 Ca 0.53 -0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.98 2x9r h ASP 8 Cb 1.93 0.13 -0.10 0.00 1.72 0.00 0.00 39.33 43.01 2x9r h ASP 8 CO -0.07 -0.15 -0.30 -0.03 -2.88 0.00 0.00 179.24 175.81 2x9r h MET 9 N -0.96 -0.19 -0.99 0.28 4.05 0.35 0.39 114.93 117.87 2x9r h MET 9 Ca -0.06 0.01 0.18 0.00 -0.28 0.00 0.00 59.70 59.55 2x9r h MET 9 Cb 0.58 0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.33 2x9r h MET 9 CO 0.10 -0.13 0.61 -0.07 0.23 0.00 0.00 176.91 177.66 2x9r h LEU 10 N -0.20 0.76 -0.13 3.39 3.38 -1.18 -1.65 115.31 119.68 2x9r h LEU 10 Ca 0.20 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 2x9r h LEU 10 Cb 0.53 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2x9r h LEU 10 CO -0.58 0.29 -0.64 0.74 0.09 0.00 0.00 178.44 178.35 2x9r h THR 11 N 0.75 1.32 -0.70 0.22 2.02 0.86 -1.75 112.91 115.63 2x9r h THR 11 Ca 0.55 -1.90 0.03 0.00 0.77 0.00 0.00 66.41 65.86 2x9r h THR 11 Cb 0.88 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2x9r h THR 11 CO -0.33 0.59 0.44 0.03 0.37 0.00 0.00 175.52 176.62 2x9r h ARG 12 N 0.32 0.85 -0.57 6.66 3.08 -0.11 1.59 114.38 126.20 2x9r h ARG 12 Ca -0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2x9r h ARG 12 Cb 1.28 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 2x9r h ARG 12 CO 0.13 0.56 0.36 0.82 -1.07 0.00 0.00 179.97 180.77 2x9r h ILE 13 N 0.87 1.10 -0.07 2.04 1.08 -1.32 1.30 117.51 122.51 2x9r h ILE 13 Ca 0.28 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 2x9r h ILE 13 Cb 0.00 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.06 2x9r h ILE 13 CO -0.10 0.13 0.01 -0.09 -0.69 0.00 0.00 178.15 177.41 2x9r h ARG 14 N 0.72 0.11 0.00 2.37 2.43 -0.11 -1.89 114.38 118.01 2x9r h ARG 14 Ca 0.22 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2x9r h ARG 14 Cb -0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2x9r h ARG 14 CO -0.08 0.35 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.45 2x9r h ASN 15 N -0.14 0.00 0.33 -3.80 2.35 0.27 -3.09 115.58 111.50 2x9r h ASN 15 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2x9r h ASN 15 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2x9r h ASN 15 CO 0.00 0.37 -0.16 0.00 -1.65 0.00 0.00 177.43 175.99 2x9r h ALA 16 N 1.63 -0.45 0.00 -0.83 0.00 0.18 -3.21 119.26 116.58 2x9r h ALA 16 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x9r h ALA 16 Cb 0.67 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2x9r h ALA 16 CO 0.05 -0.51 0.02 0.25 0.00 0.00 0.00 179.25 179.06 2x9r n THR 17 N -5.10 1.11 0.16 0.00 -2.24 -0.72 -1.56 114.28 105.93 2x9r n THR 17 Ca -0.09 0.71 0.02 0.00 -2.27 0.00 0.00 64.05 62.42 2x9r n THR 17 Cb 0.27 -1.71 0.26 0.00 -2.10 0.00 0.00 70.33 67.04 2x9r n THR 17 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2x9r h ARG 18 N 0.00 0.00 -0.28 -0.78 -0.00 -1.54 -2.55 114.38 109.23 2x9r h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2x9r h ARG 18 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.01 2x9r h ARG 18 CO 0.00 0.50 0.00 1.33 0.00 0.00 0.00 179.97 181.80 2x9r n VAL 19 N -3.73 0.41 -3.35 2.04 0.24 -0.60 -4.98 118.33 108.37 2x9r n VAL 19 Ca -0.01 -0.71 -0.17 0.00 -2.04 0.00 0.00 64.34 61.42 2x9r n VAL 19 Cb 0.55 1.05 0.05 0.00 -1.47 0.00 0.00 33.84 34.01 2x9r n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2x9r n TYR 20 N 1.26 -2.41 -3.65 6.34 4.01 -0.96 -4.97 117.16 116.78 2x9r n TYR 20 Ca 0.16 0.81 -0.37 0.00 -0.16 0.00 0.00 57.90 58.34 2x9r n TYR 20 Cb 0.54 -3.89 -0.06 0.00 -0.31 0.00 0.00 39.34 35.62 2x9r n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2x9r s LYS 21 N -4.54 3.72 0.04 -0.72 2.20 -1.20 -5.01 119.74 114.23 2x9r s LYS 21 Ca 0.35 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 56.06 2x9r s LYS 21 Cb -0.07 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2x9r s LYS 21 CO 0.78 0.71 1.14 1.49 -0.36 0.00 0.00 175.35 179.11 2x9r h GLU 22 N 4.66 -0.01 0.00 4.03 4.81 -1.93 -3.41 114.58 122.72 2x9r h GLU 22 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2x9r h GLU 22 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2x9r h GLU 22 CO 0.61 -0.01 0.00 -1.13 -0.73 0.00 0.00 179.01 177.75 2x9r n SER 23 N -3.56 0.14 0.00 1.04 3.41 -1.26 -1.84 113.62 111.55 2x9r n SER 23 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2x9r n SER 23 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2x9r n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2x9r n THR 24 N 0.00 0.00 -3.13 6.66 5.66 -1.08 -4.89 114.28 117.50 2x9r n THR 24 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 2x9r n THR 24 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 2x9r n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2x9r s ASP 25 N 0.00 5.01 0.00 1.09 1.11 -1.26 -1.21 116.67 121.42 2x9r s ASP 25 Ca 0.00 -0.92 0.00 0.00 0.18 0.00 0.00 52.55 51.81 2x9r s ASP 25 Cb 0.00 0.39 0.00 0.00 1.07 0.00 0.00 42.92 44.38 2x9r s ASP 25 CO 0.00 -1.36 0.00 0.55 1.18 0.00 0.00 175.17 175.54 2x9r n VAL 26 N -2.22 0.00 -0.32 -1.27 3.14 -0.95 -4.93 118.33 111.77 2x9r n VAL 26 Ca 0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 2x9r n VAL 26 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.39 2x9r n VAL 26 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2x9r n PRO 27 N 0.00 0.00 -2.08 1.45 -0.02 -1.26 -2.50 135.00 130.58 2x9r n PRO 27 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 2x9r n PRO 27 Cb 0.00 -0.25 0.02 0.00 -0.02 0.00 0.00 33.50 33.24 2x9r n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x9r s ALA 28 N -0.18 2.78 -0.30 3.55 0.00 0.43 -4.67 121.76 123.37 2x9r s ALA 28 Ca 0.16 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 2x9r s ALA 28 Cb -0.23 -3.44 0.17 0.00 0.00 0.00 0.00 23.12 19.62 2x9r s ALA 28 CO 0.13 -0.98 1.02 0.45 0.00 0.00 0.00 175.76 176.37 2x9r s SER 29 N -1.39 -0.52 0.56 0.00 0.15 -1.26 -4.99 113.70 106.24 2x9r s SER 29 Ca 0.71 0.73 0.35 0.00 0.70 0.00 0.00 55.95 58.43 2x9r s SER 29 Cb -0.31 1.57 1.50 0.00 -1.71 0.00 0.00 66.02 67.07 2x9r s SER 29 CO 0.36 -0.10 1.78 -0.09 1.20 0.00 0.00 173.24 176.39 2x9r h ARG 30 N 7.35 0.00 0.00 5.44 2.43 -1.99 0.24 114.38 127.85 2x9r h ARG 30 Ca -0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2x9r h ARG 30 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2x9r h ARG 30 CO 0.09 0.00 -0.08 0.35 -1.51 0.00 0.00 179.97 178.82 2x9r h PHE 31 N 0.00 0.00 -0.41 2.20 3.57 -1.99 -2.95 116.94 117.36 2x9r h PHE 31 Ca 0.51 0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.10 2x9r h PHE 31 Cb 2.17 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.82 2x9r h PHE 31 CO 0.00 0.91 -0.22 0.87 -2.23 0.00 0.00 178.31 177.64 2x9r h LYS 32 N -1.00 -0.14 0.26 1.11 1.57 -1.06 -1.91 116.57 115.39 2x9r h LYS 32 Ca -0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2x9r h LYS 32 Cb 0.91 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2x9r h LYS 32 CO -0.01 -0.09 -0.38 1.49 -0.57 0.00 0.00 179.45 179.88 2x9r h GLU 33 N -0.15 -0.68 -1.14 3.15 4.81 -0.89 -1.76 114.58 117.93 2x9r h GLU 33 Ca 0.20 0.05 0.33 0.00 -0.13 0.00 0.00 59.36 59.80 2x9r h GLU 33 Cb 0.45 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2x9r h GLU 33 CO -0.50 -0.45 0.81 0.93 -0.73 0.00 0.00 179.01 179.07 2x9r h GLU 34 N -0.70 0.04 0.14 1.92 4.39 -1.21 0.23 114.58 119.39 2x9r h GLU 34 Ca -0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2x9r h GLU 34 Cb 0.67 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2x9r h GLU 34 CO -0.14 0.03 -0.07 0.82 -1.16 0.00 0.00 179.01 178.49 2x9r h ILE 35 N 0.04 1.01 -0.99 3.13 1.08 -0.58 -3.15 117.51 118.05 2x9r h ILE 35 Ca 0.55 -0.98 0.20 0.00 -0.39 0.00 0.00 64.86 64.25 2x9r h ILE 35 Cb 2.13 1.59 -0.11 0.00 -3.07 0.00 0.00 36.82 37.35 2x9r h ILE 35 CO -0.04 0.22 0.59 -0.07 -0.69 0.00 0.00 178.15 178.16 2x9r h LEU 36 N -0.69 0.73 -1.43 1.44 3.38 -0.66 0.84 115.31 118.91 2x9r h LEU 36 Ca -0.02 0.11 0.42 0.00 0.09 0.00 0.00 57.88 58.48 2x9r h LEU 36 Cb 0.50 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 2x9r h LEU 36 CO 0.03 0.21 0.85 -0.09 0.09 0.00 0.00 178.44 179.54 2x9r h ARG 37 N 0.69 0.10 0.16 1.13 2.43 -1.28 0.55 114.38 118.18 2x9r h ARG 37 Ca 0.59 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.51 2x9r h ARG 37 Cb 0.98 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2x9r h ARG 37 CO -0.41 0.07 -1.10 0.82 -1.51 0.00 0.00 179.97 177.83 2x9r h ILE 38 N 0.11 1.35 -0.02 1.20 2.04 -0.95 -1.86 117.51 119.38 2x9r h ILE 38 Ca 0.80 -2.55 0.01 0.00 1.00 0.00 0.00 64.86 64.12 2x9r h ILE 38 Cb 2.51 3.07 -0.00 0.00 -0.74 0.00 0.00 36.82 41.65 2x9r h ILE 38 CO -0.39 0.74 0.18 -0.07 0.00 0.00 0.00 178.15 178.61 2x9r h LEU 39 N -0.23 0.00 0.00 1.44 -0.00 0.15 -1.53 115.31 115.13 2x9r h LEU 39 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2x9r h LEU 39 Cb 1.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 2x9r h LEU 39 CO 0.16 0.00 -0.45 0.00 -0.00 0.00 0.00 178.44 178.15 2x9r n ALA 40 N -2.02 0.40 0.00 1.53 0.00 -0.30 -0.25 120.51 119.87 2x9r n ALA 40 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2x9r n ALA 40 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2x9r n ALA 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2x9r n ARG 41 N -4.27 0.00 0.00 0.00 0.63 -0.70 0.19 116.66 112.51 2x9r n ARG 41 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2x9r n ARG 41 Cb 0.23 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.79 2x9r n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2x9r n GLU 42 N -0.61 4.71 -2.27 -0.14 -0.58 -0.61 -5.02 120.64 116.11 2x9r n GLU 42 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 2x9r n GLU 42 Cb 0.00 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 2x9r n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x9r n GLY 43 N 0.78 0.54 0.08 0.62 0.00 0.52 -4.95 105.19 102.78 2x9r n GLY 43 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 2x9r n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x9r n PHE 44 N -3.43 0.01 -4.17 1.61 3.72 0.66 -4.91 117.46 110.95 2x9r n PHE 44 Ca -0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 2x9r n PHE 44 Cb 0.51 -0.89 -0.16 0.00 -0.94 0.00 0.00 39.48 38.00 2x9r n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2x9r s ILE 45 N -2.73 0.53 0.33 4.37 -4.36 -0.70 -3.91 121.20 114.74 2x9r s ILE 45 Ca -0.09 -0.12 0.12 0.00 -0.26 0.00 0.00 60.65 60.29 2x9r s ILE 45 Cb 0.08 -0.56 0.33 0.00 1.25 0.00 0.00 42.46 43.56 2x9r s ILE 45 CO 0.85 0.22 1.72 0.11 0.24 0.00 0.00 174.94 178.08 2x9r h LYS 46 N 7.16 0.50 0.00 0.37 1.57 -0.98 -3.39 116.57 121.80 2x9r h LYS 46 Ca -0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2x9r h LYS 46 Cb 1.15 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2x9r h LYS 46 CO 0.47 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 180.10 2x9r n GLY 47 N -1.33 -1.58 3.26 3.86 0.00 -1.17 -4.99 105.19 103.24 2x9r n GLY 47 Ca 0.28 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 2x9r n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x9r s TYR 48 N -2.87 0.12 -0.18 1.61 -0.85 -1.26 -0.01 117.35 113.91 2x9r s TYR 48 Ca 0.00 -0.51 -0.17 0.00 -0.52 0.00 0.00 57.07 55.87 2x9r s TYR 48 Cb 0.00 0.02 0.05 0.00 0.38 0.00 0.00 41.96 42.41 2x9r s TYR 48 CO 0.00 -0.62 0.48 -1.83 -1.52 0.00 0.00 175.55 172.06 2x9r s GLU 49 N -3.87 0.56 -0.52 -3.49 -1.05 -1.05 -4.99 118.70 104.29 2x9r s GLU 49 Ca 0.07 0.67 -0.28 0.00 -0.15 0.00 0.00 54.97 55.28 2x9r s GLU 49 Cb 0.04 0.27 -0.28 0.00 -0.44 0.00 0.00 34.13 33.72 2x9r s GLU 49 CO -0.09 -0.07 1.81 0.54 0.95 0.00 0.00 175.26 178.41 2x9r n ARG 50 N 2.82 0.41 -0.26 -4.83 1.74 -1.26 -2.98 116.66 112.30 2x9r n ARG 50 Ca -0.13 -1.46 -0.05 0.00 -0.77 0.00 0.00 57.85 55.44 2x9r n ARG 50 Cb 0.57 -3.07 0.04 0.00 -1.02 0.00 0.00 32.46 28.98 2x9r n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2x9r n VAL 51 N 7.49 0.00 -3.78 1.55 0.24 -1.22 -4.96 118.33 117.64 2x9r n VAL 51 Ca 0.46 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.34 62.53 2x9r n VAL 51 Cb 0.43 -1.42 -0.07 0.00 -1.47 0.00 0.00 33.84 31.32 2x9r n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2x9r s ASP 52 N -1.97 -0.03 -0.25 -1.34 2.15 -1.26 -3.61 116.67 110.37 2x9r s ASP 52 Ca 0.13 -0.42 -0.06 0.00 0.43 0.00 0.00 52.55 52.63 2x9r s ASP 52 Cb -0.01 0.36 0.12 0.00 -0.30 0.00 0.00 42.92 43.10 2x9r s ASP 52 CO 0.10 -0.70 0.49 -0.69 -0.17 0.00 0.00 175.17 174.20 2x9r s VAL 53 N -3.31 -0.77 -1.06 1.11 1.01 -0.85 -4.90 120.40 111.63 2x9r s VAL 53 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2x9r s VAL 53 Cb 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.60 2x9r s VAL 53 CO -0.08 0.01 0.19 0.47 0.00 0.00 0.00 175.10 175.68 2x9r n ASP 54 N 5.41 -3.65 0.00 3.32 8.00 -1.26 0.22 116.55 128.59 2x9r n ASP 54 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2x9r n ASP 54 Cb 0.50 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 2x9r n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x9r n GLY 55 N -0.93 2.94 3.63 0.44 0.00 -1.26 -5.00 105.19 105.02 2x9r n GLY 55 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2x9r n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9r s LYS 56 N -0.18 3.99 -0.23 1.61 1.02 0.13 -4.98 119.74 121.10 2x9r s LYS 56 Ca 0.00 1.07 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 2x9r s LYS 56 Cb 0.00 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2x9r s LYS 56 CO 0.00 -1.01 1.68 -1.25 -0.92 0.00 0.00 175.35 173.84 2x9r s PRO 57 N 3.88 3.71 0.41 -1.68 0.04 -1.26 -2.01 135.00 138.09 2x9r s PRO 57 Ca 0.49 1.67 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2x9r s PRO 57 Cb -0.13 -4.08 0.02 0.00 0.04 0.00 0.00 34.50 30.35 2x9r s PRO 57 CO 0.19 -1.40 0.14 0.66 0.04 0.00 0.00 177.00 176.63 2x9r n TYR 58 N 8.81 0.21 -4.06 0.56 4.02 -1.24 -0.43 117.16 125.03 2x9r n TYR 58 Ca 0.20 -1.92 -0.22 0.00 -0.01 0.00 0.00 57.90 55.95 2x9r n TYR 58 Cb 0.45 -0.30 -0.17 0.00 -0.02 0.00 0.00 39.34 39.30 2x9r n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2x9r s LEU 59 N 0.00 1.14 -0.28 7.72 1.43 -1.04 -3.41 118.68 124.23 2x9r s LEU 59 Ca 0.10 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2x9r s LEU 59 Cb -0.01 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 2x9r s LEU 59 CO 0.07 -0.09 0.21 -0.60 0.23 0.00 0.00 176.35 176.17 2x9r s ARG 60 N 1.30 3.93 -0.29 1.70 3.52 -1.16 -2.25 118.95 125.71 2x9r s ARG 60 Ca -0.04 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2x9r s ARG 60 Cb -0.14 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.58 2x9r s ARG 60 CO -0.02 -0.21 0.11 0.08 -0.81 0.00 0.00 175.30 174.45 2x9r s VAL 61 N 1.80 4.36 -0.47 7.11 1.01 -0.35 -2.53 120.40 131.33 2x9r s VAL 61 Ca 0.08 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2x9r s VAL 61 Cb -0.16 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2x9r s VAL 61 CO 0.11 0.15 0.89 -0.31 0.00 0.00 0.00 175.10 175.94 2x9r s TYR 62 N 1.59 2.93 0.58 5.22 2.02 0.99 -2.63 117.35 128.05 2x9r s TYR 62 Ca 0.05 0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.89 2x9r s TYR 62 Cb -0.16 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.44 2x9r s TYR 62 CO 0.05 -1.09 1.05 -0.51 -1.57 0.00 0.00 175.55 173.48 2x9r s LEU 63 N 3.66 3.53 -0.04 -1.29 2.01 -0.76 -0.44 118.68 125.35 2x9r s LEU 63 Ca 0.35 1.82 0.06 0.00 0.01 0.00 0.00 54.13 56.36 2x9r s LEU 63 Cb -0.11 -4.53 -0.01 0.00 0.01 0.00 0.00 46.19 41.55 2x9r s LEU 63 CO 0.25 -1.12 -0.22 -0.75 1.01 0.00 0.00 176.35 175.52 2x9r s LYS 64 N -4.01 2.13 0.39 1.70 2.20 -1.25 -4.51 119.74 116.39 2x9r s LYS 64 Ca 0.64 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 55.52 2x9r s LYS 64 Cb -0.16 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 2x9r s LYS 64 CO 0.35 0.36 0.20 0.71 -0.36 0.00 0.00 175.35 176.61 2x9r s TYR 65 N -0.17 1.78 0.05 4.03 1.51 -1.26 -3.75 117.35 119.55 2x9r s TYR 65 Ca -0.01 -1.47 -0.01 0.00 -1.01 0.00 0.00 57.07 54.57 2x9r s TYR 65 Cb -0.12 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2x9r s TYR 65 CO 0.02 -0.56 0.07 0.41 -1.11 0.00 0.00 175.55 174.39 2x9r n GLY 66 N -0.84 -0.34 3.86 0.71 0.00 0.53 -4.82 105.19 104.29 2x9r n GLY 66 Ca -0.01 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 2x9r n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x9r s PRO 67 N -2.91 3.89 0.97 1.61 0.04 -1.26 -4.73 135.00 132.60 2x9r s PRO 67 Ca 0.04 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.30 2x9r s PRO 67 Cb -0.00 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 2x9r s PRO 67 CO 0.03 0.44 -0.27 -2.13 0.04 0.00 0.00 177.00 175.11 2x9r n ARG 68 N 0.53 -0.12 -4.54 4.56 0.63 -1.26 -4.49 116.66 111.97 2x9r n ARG 68 Ca -0.04 -0.02 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 2x9r n ARG 68 Cb 0.52 -1.37 -0.09 0.00 0.45 0.00 0.00 32.46 31.97 2x9r n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2x9r s ARG 69 N -2.68 1.88 0.35 -0.14 0.52 -0.66 -4.92 118.95 113.30 2x9r s ARG 69 Ca 0.48 -2.12 -0.01 0.00 -0.52 0.00 0.00 55.73 53.56 2x9r s ARG 69 Cb -0.20 -0.96 0.07 0.00 0.52 0.00 0.00 34.95 34.38 2x9r s ARG 69 CO 0.76 -0.31 0.48 1.04 0.02 0.00 0.00 175.30 177.28 2x9r n GLN 70 N -0.90 0.13 -0.26 3.54 1.13 -1.26 -4.52 117.38 115.25 2x9r n GLN 70 Ca -0.07 -1.17 0.04 0.00 -1.94 0.00 0.00 57.00 53.85 2x9r n GLN 70 Cb 0.66 -0.36 -0.01 0.00 0.11 0.00 0.00 30.24 30.65 2x9r n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x9r n GLY 71 N 1.46 -0.85 3.77 1.08 0.00 -1.26 -4.56 105.19 104.83 2x9r n GLY 71 Ca 0.07 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2x9r n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x9r s PRO 72 N -0.46 3.70 -0.39 1.61 0.02 -1.26 -3.99 135.00 134.24 2x9r s PRO 72 Ca 0.00 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.43 2x9r s PRO 72 Cb 0.00 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2x9r s PRO 72 CO 0.00 -0.81 0.38 -3.47 -0.33 0.00 0.00 177.00 172.78 2x9r n ASP 73 N -0.17 -5.29 0.00 2.53 4.64 -1.26 -4.87 116.55 112.14 2x9r n ASP 73 Ca 0.05 0.02 0.03 0.00 -1.38 0.00 0.00 54.79 53.51 2x9r n ASP 73 Cb 0.42 -3.44 0.16 0.00 -1.04 0.00 0.00 41.12 37.22 2x9r n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2x9r n PRO 74 N -1.26 0.16 -1.67 -0.67 -0.04 -1.26 -4.79 135.00 125.47 2x9r n PRO 74 Ca 0.01 0.06 -0.45 0.00 -0.04 0.00 0.00 63.50 63.08 2x9r n PRO 74 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 2x9r n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9r n ARG 75 N -1.07 2.05 -1.19 0.54 1.74 -1.26 -1.66 116.66 115.81 2x9r n ARG 75 Ca 0.04 0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 57.55 2x9r n ARG 75 Cb 0.03 -2.38 0.23 0.00 -1.02 0.00 0.00 32.46 29.31 2x9r n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2x9r s PRO 76 N -0.48 -0.87 0.43 5.56 0.04 -1.26 -4.55 135.00 133.87 2x9r s PRO 76 Ca 0.67 -0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.68 2x9r s PRO 76 Cb -0.64 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2x9r s PRO 76 CO 0.50 -3.48 0.62 -2.00 0.04 0.00 0.00 177.00 172.69 2x9r s GLU 77 N -5.43 2.96 0.17 4.56 2.12 -1.26 -4.91 118.70 116.91 2x9r s GLU 77 Ca 0.71 -0.76 0.10 0.00 0.36 0.00 0.00 54.97 55.38 2x9r s GLU 77 Cb -0.10 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 2x9r s GLU 77 CO 0.56 -0.26 -0.20 -0.65 -0.54 0.00 0.00 175.26 174.17 2x9r s GLN 78 N -4.47 1.67 0.35 4.30 -0.21 -1.26 -0.35 119.66 119.70 2x9r s GLN 78 Ca 0.50 -1.39 0.12 0.00 0.02 0.00 0.00 55.36 54.60 2x9r s GLN 78 Cb -0.10 -1.97 0.65 0.00 1.00 0.00 0.00 33.01 32.59 2x9r s GLN 78 CO 0.36 0.43 1.79 0.28 -2.12 0.00 0.00 175.29 176.02 2x9r h VAL 79 N 3.25 1.29 -3.52 1.09 2.07 -1.88 -3.33 116.25 115.21 2x9r h VAL 79 Ca -0.48 -1.38 -0.70 0.00 0.82 0.00 0.00 66.70 64.96 2x9r h VAL 79 Cb 1.20 1.72 -0.35 0.00 -1.52 0.00 0.00 31.29 32.34 2x9r h VAL 79 CO 0.48 0.40 -0.41 -0.63 0.02 0.00 0.00 177.57 177.42 2x9r s ILE 80 N -4.14 3.64 0.16 4.57 1.01 -1.26 -4.82 121.20 120.35 2x9r s ILE 80 Ca -0.03 -2.64 0.03 0.00 0.00 0.00 0.00 60.65 58.02 2x9r s ILE 80 Cb 0.14 -3.40 -0.17 0.00 0.01 0.00 0.00 42.46 39.04 2x9r s ILE 80 CO 0.74 -0.82 1.35 0.45 0.00 0.00 0.00 174.94 176.66 2x9r h HIS 81 N 7.40 0.22 -2.41 3.97 3.86 -0.66 -3.45 115.15 124.08 2x9r h HIS 81 Ca -0.06 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 2x9r h HIS 81 Cb 0.99 -0.02 -0.25 0.00 1.06 0.00 0.00 27.41 29.18 2x9r h HIS 81 CO 0.66 0.98 -0.27 -1.58 0.86 0.00 0.00 177.93 178.58 2x9r s HIS 82 N -3.08 -0.87 -0.21 2.45 5.65 -0.19 -5.04 115.29 114.01 2x9r s HIS 82 Ca -0.02 1.66 -0.01 0.00 0.25 0.00 0.00 55.06 56.95 2x9r s HIS 82 Cb 0.10 0.41 0.06 0.00 -1.18 0.00 0.00 32.58 31.97 2x9r s HIS 82 CO 0.83 -0.48 -0.03 -1.50 -0.65 0.00 0.00 174.74 172.90 2x9r s ILE 83 N 2.25 1.16 0.08 0.89 1.10 -1.26 -1.16 121.20 124.25 2x9r s ILE 83 Ca -0.05 -0.91 0.08 0.00 -0.51 0.00 0.00 60.65 59.26 2x9r s ILE 83 Cb -0.10 -1.47 -0.03 0.00 0.15 0.00 0.00 42.46 41.00 2x9r s ILE 83 CO -0.15 -0.08 -0.21 -0.60 -2.11 0.00 0.00 174.94 171.80 2x9r s ARG 84 N 1.57 1.25 -0.32 3.50 3.52 -0.89 -4.95 118.95 122.63 2x9r s ARG 84 Ca -0.03 -1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 54.29 2x9r s ARG 84 Cb -0.18 -1.44 -0.00 0.00 -1.56 0.00 0.00 34.95 31.77 2x9r s ARG 84 CO -0.07 0.35 0.73 0.50 -0.81 0.00 0.00 175.30 176.00 2x9r s ARG 85 N -1.57 3.87 0.00 5.12 6.06 -1.26 -1.54 118.95 129.63 2x9r s ARG 85 Ca 0.07 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 53.69 2x9r s ARG 85 Cb -0.09 -3.75 0.00 0.00 0.06 0.00 0.00 34.95 31.16 2x9r s ARG 85 CO 0.03 -0.69 0.00 -0.89 -2.50 0.00 0.00 175.30 171.25 2x9r n ILE 86 N 5.55 0.00 -1.70 4.11 2.08 -1.04 -4.85 119.36 123.52 2x9r n ILE 86 Ca 0.02 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.90 2x9r n ILE 86 Cb 0.48 -0.04 -0.03 0.00 -0.75 0.00 0.00 39.64 39.30 2x9r n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2x9r n SER 87 N 0.00 4.02 -4.71 4.38 2.88 -0.81 -4.98 113.62 114.40 2x9r n SER 87 Ca 0.00 1.01 -0.27 0.00 -1.33 0.00 0.00 58.87 58.28 2x9r n SER 87 Cb 0.00 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 61.82 2x9r n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2x9r s LYS 88 N 2.24 2.12 0.46 -1.46 1.02 -1.04 -4.87 119.74 118.21 2x9r s LYS 88 Ca 0.80 -2.04 0.19 0.00 0.02 0.00 0.00 55.97 54.94 2x9r s LYS 88 Cb -0.49 -1.79 1.10 0.00 -0.52 0.00 0.00 37.83 36.13 2x9r s LYS 88 CO 0.36 -0.17 1.98 -1.00 -0.92 0.00 0.00 175.35 175.60 2x9r h PRO 89 N 1.49 0.00 -0.71 -1.68 0.13 -1.94 -2.43 132.00 126.86 2x9r h PRO 89 Ca -0.43 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.33 2x9r h PRO 89 Cb 1.26 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 2x9r h PRO 89 CO 0.74 0.20 0.32 0.41 -0.23 0.00 0.00 178.00 179.44 2x9r n GLY 90 N -0.73 4.73 0.00 1.56 0.00 -1.26 -4.56 105.19 104.92 2x9r n GLY 90 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2x9r n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x9r n ARG 91 N -1.13 0.00 -1.75 1.61 0.63 -0.96 -5.15 116.66 109.90 2x9r n ARG 91 Ca 0.48 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 57.00 2x9r n ARG 91 Cb 1.37 0.00 0.01 0.00 0.45 0.00 0.00 32.46 34.29 2x9r n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2x9r n ARG 92 N 0.00 2.34 -4.95 -0.14 5.12 -0.96 -2.51 116.66 115.56 2x9r n ARG 92 Ca 0.00 0.83 -0.26 0.00 -1.93 0.00 0.00 57.85 56.48 2x9r n ARG 92 Cb 0.00 -2.58 -0.16 0.00 -1.16 0.00 0.00 32.46 28.56 2x9r n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2x9r s VAL 93 N -1.16 1.54 -0.03 1.55 1.01 -1.26 -4.90 120.40 117.15 2x9r s VAL 93 Ca 0.58 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2x9r s VAL 93 Cb -0.48 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2x9r s VAL 93 CO 0.60 0.44 0.14 -0.31 0.00 0.00 0.00 175.10 175.96 2x9r s TYR 94 N -0.42 -0.08 -0.15 5.22 2.02 -1.26 -3.08 117.35 119.61 2x9r s TYR 94 Ca 0.07 0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.84 2x9r s TYR 94 Cb -0.08 0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.54 2x9r s TYR 94 CO -0.00 -0.15 0.37 0.14 -1.57 0.00 0.00 175.55 174.33 2x9r s VAL 95 N -0.48 -0.01 1.08 0.71 -7.23 -1.07 -4.94 120.40 108.46 2x9r s VAL 95 Ca -0.06 0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 2x9r s VAL 95 Cb -0.04 -0.54 0.24 0.00 0.56 0.00 0.00 36.38 36.61 2x9r s VAL 95 CO 0.01 0.02 1.06 0.61 -0.31 0.00 0.00 175.10 176.49 2x9r n GLY 96 N 3.56 -1.42 0.31 2.32 0.00 -1.26 -3.38 105.19 105.31 2x9r n GLY 96 Ca -0.18 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.85 2x9r n GLY 96 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2x9r h VAL 97 N -2.41 1.14 0.00 1.61 3.04 -1.91 -1.35 116.25 116.38 2x9r h VAL 97 Ca -0.55 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2x9r h VAL 97 Cb 1.31 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2x9r h VAL 97 CO 0.46 0.16 0.00 2.29 -1.01 0.00 0.00 177.57 179.47 2x9r n LYS 98 N -4.42 0.74 0.00 4.17 2.85 -1.26 -2.87 118.16 117.37 2x9r n LYS 98 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2x9r n LYS 98 Cb 0.10 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 2x9r n LYS 98 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2x9r n GLU 99 N -0.59 1.31 -1.41 -1.58 1.02 -0.52 -5.02 120.64 113.86 2x9r n GLU 99 Ca 0.03 0.00 -0.60 0.00 -0.02 0.00 0.00 57.16 56.57 2x9r n GLU 99 Cb 0.01 -0.89 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 2x9r n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2x9r n ILE 100 N -1.28 0.05 -1.37 -3.67 5.41 -1.13 -4.78 119.36 112.58 2x9r n ILE 100 Ca 0.00 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 2x9r n ILE 100 Cb 0.00 -0.70 -0.00 0.00 -0.71 0.00 0.00 39.64 38.23 2x9r n ILE 100 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2x9r n PRO 101 N 6.75 0.22 -3.36 0.38 -0.02 -1.26 -4.95 135.00 132.76 2x9r n PRO 101 Ca 0.46 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 2x9r n PRO 101 Cb 0.00 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 2x9r n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2x9r n ARG 102 N 1.02 3.42 -1.72 -0.52 3.00 -1.26 -4.86 116.66 115.74 2x9r n ARG 102 Ca 0.12 -4.51 -0.42 0.00 -0.01 0.00 0.00 57.85 53.03 2x9r n ARG 102 Cb 0.38 -2.48 -0.03 0.00 0.00 0.00 0.00 32.46 30.34 2x9r n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2x9r n VAL 103 N 2.10 0.01 -3.24 1.55 0.31 -1.26 -3.03 118.33 114.76 2x9r n VAL 103 Ca 0.24 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.38 2x9r n VAL 103 Cb 0.37 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 2x9r n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2x9r n ARG 104 N 3.97 -2.60 -3.80 5.55 3.00 -1.26 -0.33 116.66 121.19 2x9r n ARG 104 Ca 0.16 0.27 -0.27 0.00 -0.00 0.00 0.00 57.85 58.02 2x9r n ARG 104 Cb 0.35 -4.88 0.04 0.00 0.00 0.00 0.00 32.46 27.97 2x9r n ARG 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2x9r n ARG 105 N -3.32 -5.78 0.00 -0.14 3.00 -1.17 -2.61 116.66 106.64 2x9r n ARG 105 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 57.85 58.50 2x9r n ARG 105 Cb 0.52 -5.48 0.00 0.00 0.00 0.00 0.00 32.46 27.49 2x9r n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x9r n GLY 106 N -1.69 2.96 0.45 5.14 0.00 0.55 -4.87 105.19 107.72 2x9r n GLY 106 Ca -0.06 -0.79 0.27 0.00 0.00 0.00 0.00 46.02 45.44 2x9r n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x9r h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.61 -3.43 115.31 114.64 2x9r h LEU 107 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2x9r h LEU 107 Cb 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 2x9r h LEU 107 CO 0.00 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.07 2x9r n GLY 108 N -1.70 1.98 3.22 0.83 0.00 -1.17 -4.95 105.19 103.39 2x9r n GLY 108 Ca 0.17 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 2x9r n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2x9r s ILE 109 N -2.69 1.01 -0.33 -0.61 2.07 0.21 -4.72 121.20 116.14 2x9r s ILE 109 Ca 0.62 -1.97 -0.01 0.00 -1.41 0.00 0.00 60.65 57.87 2x9r s ILE 109 Cb -0.05 -1.74 0.12 0.00 0.13 0.00 0.00 42.46 40.93 2x9r s ILE 109 CO 0.39 -0.76 0.18 0.00 -1.91 0.00 0.00 174.94 172.84 2x9r s ALA 110 N -3.29 0.84 0.77 1.50 0.00 -1.26 0.07 121.76 120.39 2x9r s ALA 110 Ca 0.14 -1.57 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 2x9r s ALA 110 Cb 0.03 -1.53 0.06 0.00 0.00 0.00 0.00 23.12 21.68 2x9r s ALA 110 CO -0.01 -1.93 1.20 0.42 0.00 0.00 0.00 175.76 175.45 2x9r s ILE 111 N 1.46 2.21 -0.30 0.00 1.01 -0.59 -2.52 121.20 122.47 2x9r s ILE 111 Ca 0.14 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 2x9r s ILE 111 Cb -0.20 -2.59 0.18 0.00 0.01 0.00 0.00 42.46 39.85 2x9r s ILE 111 CO -0.14 -0.06 1.01 -1.48 0.00 0.00 0.00 174.94 174.27 2x9r s LEU 112 N -5.42 -0.53 0.03 2.97 2.34 -0.78 -2.72 118.68 114.57 2x9r s LEU 112 Ca 0.74 0.31 -0.33 0.00 0.06 0.00 0.00 54.13 54.90 2x9r s LEU 112 Cb -0.29 1.44 -0.12 0.00 -0.56 0.00 0.00 46.19 46.66 2x9r s LEU 112 CO 0.48 -0.10 1.78 -0.24 -1.06 0.00 0.00 176.35 177.21 2x9r n SER 113 N 5.45 3.46 -4.53 1.48 2.88 -1.00 -3.31 113.62 118.04 2x9r n SER 113 Ca -0.05 1.01 -0.27 0.00 -1.33 0.00 0.00 58.87 58.22 2x9r n SER 113 Cb 0.54 -1.42 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 2x9r n SER 113 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2x9r s THR 114 N 2.90 1.33 -2.00 2.46 -4.23 -1.16 -0.58 115.64 114.37 2x9r s THR 114 Ca 0.87 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2x9r s THR 114 Cb -0.64 -2.61 0.48 0.00 1.34 0.00 0.00 72.50 71.07 2x9r s THR 114 CO 0.45 0.00 1.42 -1.54 -0.54 0.00 0.00 174.62 174.41 2x9r n SER 115 N -1.04 0.00 -2.43 3.99 3.41 -1.26 -2.40 113.62 113.89 2x9r n SER 115 Ca -0.08 -0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 57.77 2x9r n SER 115 Cb 0.67 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 2x9r n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x9r n LYS 116 N -1.00 3.06 -0.41 4.33 5.02 -1.26 -5.09 118.16 122.81 2x9r n LYS 116 Ca 0.13 -4.21 0.05 0.00 -2.02 0.00 0.00 58.31 52.26 2x9r n LYS 116 Cb 0.06 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.96 2x9r n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9r n GLY 117 N -0.48 -2.50 3.71 0.72 0.00 -1.01 -4.83 105.19 100.80 2x9r n GLY 117 Ca 0.34 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2x9r n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9r s VAL 118 N -2.88 2.73 0.00 1.61 1.01 -1.26 -2.97 120.40 118.64 2x9r s VAL 118 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2x9r s VAL 118 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2x9r s VAL 118 CO 0.00 0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.31 2x9r n LEU 119 N 4.41 0.00 -4.38 3.92 4.77 -1.21 -4.96 117.00 119.55 2x9r n LEU 119 Ca 0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 2x9r n LEU 119 Cb 0.39 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2x9r n LEU 119 CO 0.62 0.00 -0.27 0.42 -1.33 0.00 0.00 177.39 176.83 2x9r s THR 120 N -0.88 0.91 0.00 -5.08 -4.23 -1.26 -1.86 115.64 103.24 2x9r s THR 120 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2x9r s THR 120 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2x9r s THR 120 CO 0.00 -0.04 0.87 -0.90 -0.54 0.00 0.00 174.62 174.01 2x9r n ASP 121 N -0.56 0.00 -0.12 3.99 5.75 -1.05 0.17 116.55 124.74 2x9r n ASP 121 Ca -0.02 0.87 -0.05 0.00 -0.01 0.00 0.00 54.79 55.59 2x9r n ASP 121 Cb 0.66 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2x9r n ASP 121 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2x9r h ARG 122 N 0.00 0.05 -0.39 0.11 3.08 -1.92 -1.31 114.38 114.00 2x9r h ARG 122 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2x9r h ARG 122 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2x9r h ARG 122 CO 0.00 0.03 0.18 0.93 -1.07 0.00 0.00 179.97 180.04 2x9r h GLU 123 N 0.05 0.56 0.00 0.04 5.08 -1.86 -2.12 114.58 116.33 2x9r h GLU 123 Ca 0.19 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2x9r h GLU 123 Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2x9r h GLU 123 CO -0.37 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 2x9r h ALA 124 N 1.03 1.00 0.00 3.43 0.00 0.22 -0.89 119.26 124.05 2x9r h ALA 124 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2x9r h ALA 124 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2x9r h ALA 124 CO -0.02 0.00 -1.04 -0.09 0.00 0.00 0.00 179.25 178.11 2x9r h ARG 125 N 0.00 0.00 -0.11 0.00 2.43 -0.65 -1.72 114.38 114.32 2x9r h ARG 125 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2x9r h ARG 125 Cb 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2x9r h ARG 125 CO 0.00 0.26 -0.42 -0.22 -1.51 0.00 0.00 179.97 178.08 2x9r h LYS 126 N 0.00 0.26 -0.01 0.20 3.64 -0.54 -1.27 116.57 118.85 2x9r h LYS 126 Ca -0.08 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2x9r h LYS 126 Cb 1.38 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2x9r h LYS 126 CO 0.04 0.63 -0.27 1.28 -2.27 0.00 0.00 179.45 178.86 2x9r n LEU 127 N -4.02 1.39 -3.48 5.20 7.99 -1.14 -4.98 117.00 117.97 2x9r n LEU 127 Ca -0.02 -0.44 -0.17 0.00 -0.01 0.00 0.00 56.01 55.38 2x9r n LEU 127 Cb 0.49 -0.07 0.01 0.00 -0.11 0.00 0.00 43.42 43.73 2x9r n LEU 127 CO 0.42 0.26 0.03 0.61 -1.51 0.00 0.00 177.39 177.20 2x9r n GLY 128 N 1.34 -1.20 3.18 -0.72 0.00 -0.48 -5.00 105.19 102.32 2x9r n GLY 128 Ca 0.12 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 2x9r n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9r s VAL 129 N -3.13 0.09 0.00 1.61 -7.23 -0.68 -4.89 120.40 106.17 2x9r s VAL 129 Ca 0.14 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2x9r s VAL 129 Cb -0.05 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2x9r s VAL 129 CO 0.83 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 2x9r n GLY 130 N 0.94 2.82 0.00 2.32 0.00 -1.26 -4.43 105.19 105.59 2x9r n GLY 130 Ca -0.20 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2x9r n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 131 N 5.00 -0.47 3.54 -0.02 0.00 -1.22 -4.26 105.19 107.77 2x9r n GLY 131 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2x9r n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x9r s GLU 132 N -2.00 3.27 -0.70 1.61 2.12 0.25 -2.60 118.70 120.65 2x9r s GLU 132 Ca 0.00 -0.20 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 2x9r s GLU 132 Cb 0.00 -4.13 -0.13 0.00 0.26 0.00 0.00 34.13 30.13 2x9r s GLU 132 CO 0.00 -1.92 2.42 -0.11 -0.54 0.00 0.00 175.26 175.11 2x9r n LEU 133 N 8.71 1.83 -0.04 2.70 0.00 -1.18 -2.39 117.00 126.63 2x9r n LEU 133 Ca 0.03 -1.11 -0.11 0.00 0.00 0.00 0.00 56.01 54.82 2x9r n LEU 133 Cb 0.48 -1.59 -0.05 0.00 0.00 0.00 0.00 43.42 42.26 2x9r n LEU 133 CO 0.69 -2.22 0.81 0.40 0.00 0.00 0.00 177.39 177.07 2x9r h ILE 134 N 7.68 1.19 -1.04 1.96 1.08 -1.85 -2.14 117.51 124.38 2x9r h ILE 134 Ca -0.08 -0.59 0.39 0.00 -0.39 0.00 0.00 64.86 64.19 2x9r h ILE 134 Cb 1.10 1.30 -0.14 0.00 -3.07 0.00 0.00 36.82 36.00 2x9r h ILE 134 CO 1.08 0.18 0.98 0.00 -0.69 0.00 0.00 178.15 179.71 2x9r s GLU 136 N -2.04 1.94 -0.14 0.00 -1.05 -0.59 -1.54 118.70 115.28 2x9r s GLU 136 Ca 0.15 -1.19 -0.07 0.00 -0.15 0.00 0.00 54.97 53.70 2x9r s GLU 136 Cb 0.07 -2.16 0.05 0.00 -0.44 0.00 0.00 34.13 31.66 2x9r s GLU 136 CO -0.06 0.47 0.32 0.08 0.95 0.00 0.00 175.26 177.01 2x9r s VAL 137 N -1.37 -0.07 0.00 1.83 1.01 0.11 -2.09 120.40 119.82 2x9r s VAL 137 Ca 0.21 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2x9r s VAL 137 Cb -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2x9r s VAL 137 CO 0.13 0.05 0.00 -2.67 0.00 0.00 0.00 175.10 172.61