#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n LEU 2 N 0.00 -3.47 -0.15 3.17 4.77 -1.26 -4.86 117.00 115.20 3i9b n LEU 2 Ca 0.00 1.77 -0.11 0.00 -0.03 0.00 0.00 56.01 57.64 3i9b n LEU 2 Cb 0.00 -2.29 -0.01 0.00 -2.33 0.00 0.00 43.42 38.79 3i9b n LEU 2 CO 0.00 -2.42 0.71 0.71 -1.33 0.00 0.00 177.39 175.06 3i9b h THR 3 N 4.26 1.27 -3.03 -5.08 1.35 -2.06 -3.40 112.91 106.22 3i9b h THR 3 Ca -0.06 -1.25 -0.55 0.00 -0.55 0.00 0.00 66.41 64.01 3i9b h THR 3 Cb 0.13 1.16 -0.40 0.00 -1.73 0.00 0.00 68.15 67.30 3i9b h THR 3 CO 0.00 0.43 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.31 3i9b s ASP 4 N -6.51 3.57 0.17 5.36 2.15 -1.26 -5.01 116.67 115.14 3i9b s ASP 4 Ca -0.12 -1.31 -0.23 0.00 0.43 0.00 0.00 52.55 51.32 3i9b s ASP 4 Cb 0.11 -0.60 0.08 0.00 -0.30 0.00 0.00 42.92 42.22 3i9b s ASP 4 CO 0.84 -0.40 1.59 -0.65 -0.17 0.00 0.00 175.17 176.37 3i9b h PRO 5 N 8.25 -0.21 0.08 4.34 0.11 -1.94 -2.73 132.00 139.90 3i9b h PRO 5 Ca -0.16 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3i9b h PRO 5 Cb 1.04 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3i9b h PRO 5 CO 0.43 -0.14 -0.14 0.82 -0.21 0.00 0.00 178.00 178.76 3i9b h ILE 6 N -0.21 0.00 -0.95 4.15 5.03 -1.99 -1.71 117.51 121.83 3i9b h ILE 6 Ca 0.20 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.26 3i9b h ILE 6 Cb 0.55 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.17 3i9b h ILE 6 CO -0.63 0.00 0.23 0.00 -0.68 0.00 0.00 178.15 177.07 3i9b n ALA 7 N -2.50 0.69 0.03 1.87 0.00 -1.19 0.20 120.51 119.61 3i9b n ALA 7 Ca -0.03 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.35 3i9b n ALA 7 Cb 0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3i9b n ALA 7 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3i9b h ASP 8 N 0.00 -0.59 -0.89 0.00 3.58 -1.02 -1.48 116.42 116.02 3i9b h ASP 8 Ca 0.67 0.06 0.09 0.00 0.42 0.00 0.00 57.03 58.28 3i9b h ASP 8 Cb 1.58 0.22 -0.12 0.00 1.72 0.00 0.00 39.33 42.73 3i9b h ASP 8 CO -0.82 -0.20 -0.54 -0.03 -2.88 0.00 0.00 179.24 174.76 3i9b h MET 9 N -0.27 -0.07 -0.81 0.28 4.05 0.59 0.26 114.93 118.97 3i9b h MET 9 Ca -0.00 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.58 3i9b h MET 9 Cb 0.27 0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 30.99 3i9b h MET 9 CO -0.11 -0.05 0.36 -0.07 0.23 0.00 0.00 176.91 177.27 3i9b h LEU 10 N -0.07 0.37 -1.17 3.39 3.38 -1.26 -0.77 115.31 119.17 3i9b h LEU 10 Ca 0.18 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3i9b h LEU 10 Cb 0.48 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3i9b h LEU 10 CO -0.88 0.13 0.32 0.74 0.09 0.00 0.00 178.44 178.83 3i9b h THR 11 N 0.50 1.20 -0.16 0.22 2.02 0.58 -0.90 112.91 116.38 3i9b h THR 11 Ca 0.45 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3i9b h THR 11 Cb 0.70 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3i9b h THR 11 CO -0.41 0.24 0.08 0.03 0.37 0.00 0.00 175.52 175.83 3i9b h ARG 12 N 0.89 0.23 -0.96 6.66 3.08 -0.30 0.64 114.38 124.62 3i9b h ARG 12 Ca 0.22 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.34 3i9b h ARG 12 Cb 0.08 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 3i9b h ARG 12 CO -0.03 0.26 0.60 0.82 -1.07 0.00 0.00 179.97 180.55 3i9b h ILE 13 N 0.14 0.97 -0.34 2.04 2.04 -1.10 0.91 117.51 122.17 3i9b h ILE 13 Ca 0.06 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3i9b h ILE 13 Cb 0.10 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3i9b h ILE 13 CO -0.01 0.18 -0.09 -0.09 0.00 0.00 0.00 178.15 178.15 3i9b h ARG 14 N 1.01 0.65 0.21 2.37 2.43 -0.34 -2.03 114.38 118.68 3i9b h ARG 14 Ca 0.45 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3i9b h ARG 14 Cb 0.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i9b h ARG 14 CO -0.23 0.83 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.05 3i9b h ASN 15 N 0.44 -0.23 -0.16 -3.80 2.35 0.18 -3.05 115.58 111.30 3i9b h ASN 15 Ca 0.08 -0.24 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3i9b h ASN 15 Cb 0.59 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 3i9b h ASN 15 CO 0.03 0.13 -0.24 0.00 -1.65 0.00 0.00 177.43 175.71 3i9b h ALA 16 N 0.06 -0.19 -0.36 -0.83 0.00 0.72 -1.78 119.26 116.87 3i9b h ALA 16 Ca -0.03 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3i9b h ALA 16 Cb 0.46 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3i9b h ALA 16 CO 0.05 -0.69 0.29 1.79 0.00 0.00 0.00 179.25 180.69 3i9b h THR 17 N -0.28 0.69 0.00 0.00 1.35 -1.43 -0.46 112.91 112.78 3i9b h THR 17 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3i9b h THR 17 Cb 0.45 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3i9b h THR 17 CO -0.33 0.00 0.00 0.03 -0.25 0.00 0.00 175.52 174.97 3i9b h ARG 18 N 0.00 0.00 -0.61 4.72 -0.00 -1.20 -2.23 114.38 115.05 3i9b h ARG 18 Ca 0.17 0.00 -0.44 0.00 -0.50 0.00 0.00 59.98 59.21 3i9b h ARG 18 Cb 0.75 0.00 -0.34 0.00 0.00 0.00 0.00 29.97 30.38 3i9b h ARG 18 CO -0.00 0.00 -0.72 1.33 0.00 0.00 0.00 179.97 180.58 3i9b n VAL 19 N -3.00 2.49 -3.18 2.04 0.24 -0.19 -4.97 118.33 111.75 3i9b n VAL 19 Ca -0.00 -3.99 -0.10 0.00 -2.04 0.00 0.00 64.34 58.20 3i9b n VAL 19 Cb 0.22 -0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 31.61 3i9b n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i9b n TYR 20 N -0.80 -0.39 -3.01 6.34 4.01 -0.84 -4.82 117.16 117.65 3i9b n TYR 20 Ca 0.39 0.16 -0.40 0.00 -0.16 0.00 0.00 57.90 57.90 3i9b n TYR 20 Cb 0.91 -0.85 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 3i9b n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i9b s LYS 21 N -4.56 4.51 0.11 -0.72 2.20 -1.13 -4.99 119.74 115.16 3i9b s LYS 21 Ca 0.02 1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 56.47 3i9b s LYS 21 Cb -0.01 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 3i9b s LYS 21 CO 0.30 0.46 1.42 1.49 -0.36 0.00 0.00 175.35 178.66 3i9b h GLU 22 N 4.90 -0.12 -3.04 4.03 4.81 -1.92 -3.42 114.58 119.82 3i9b h GLU 22 Ca -0.46 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 3i9b h GLU 22 Cb 1.21 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 3i9b h GLU 22 CO 0.68 -0.08 0.20 -1.54 -0.73 0.00 0.00 179.01 177.54 3i9b s SER 23 N -4.75 -0.29 -0.09 1.04 1.04 -1.26 -2.11 113.70 107.27 3i9b s SER 23 Ca -0.10 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3i9b s SER 23 Cb 0.08 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.92 3i9b s SER 23 CO 0.47 -1.28 0.23 -0.89 0.98 0.00 0.00 173.24 172.76 3i9b s THR 24 N -3.90 -0.01 0.79 2.02 2.01 -1.13 -4.95 115.64 110.48 3i9b s THR 24 Ca 0.10 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3i9b s THR 24 Cb -0.05 -0.34 0.12 0.00 0.01 0.00 0.00 72.50 72.25 3i9b s THR 24 CO 0.04 0.01 1.11 -1.81 -0.69 0.00 0.00 174.62 173.28 3i9b s ASP 25 N 0.31 4.14 -0.28 3.53 1.11 -1.25 -1.38 116.67 122.85 3i9b s ASP 25 Ca -0.02 0.15 -0.18 0.00 0.18 0.00 0.00 52.55 52.69 3i9b s ASP 25 Cb -0.03 -0.53 0.08 0.00 1.07 0.00 0.00 42.92 43.51 3i9b s ASP 25 CO -0.01 -2.04 0.70 0.54 1.18 0.00 0.00 175.17 175.54 3i9b s VAL 26 N -3.42 0.00 -0.41 -1.27 0.11 0.21 -4.85 120.40 110.76 3i9b s VAL 26 Ca 0.66 0.00 -0.45 0.00 -2.93 0.00 0.00 61.98 59.26 3i9b s VAL 26 Cb -0.07 -1.00 -0.20 0.00 -1.53 0.00 0.00 36.38 33.59 3i9b s VAL 26 CO 0.47 0.00 1.48 -2.65 -3.33 0.00 0.00 175.10 171.08 3i9b n PRO 27 N 3.98 0.00 -1.37 1.54 -0.02 -1.26 0.04 135.00 137.91 3i9b n PRO 27 Ca -0.19 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.89 3i9b n PRO 27 Cb 0.58 -1.47 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 3i9b n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9b n ALA 28 N 3.53 -2.16 -3.20 3.55 0.00 -0.85 -4.74 120.51 116.64 3i9b n ALA 28 Ca 0.29 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.82 3i9b n ALA 28 Cb -0.04 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 3i9b n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i9b s SER 29 N -1.03 -0.21 0.18 0.00 0.15 -1.26 -4.95 113.70 106.57 3i9b s SER 29 Ca 0.62 0.22 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 3i9b s SER 29 Cb -0.54 1.21 0.10 0.00 -1.71 0.00 0.00 66.02 65.08 3i9b s SER 29 CO 0.60 -0.04 1.58 -0.09 1.20 0.00 0.00 173.24 176.50 3i9b h ARG 30 N 7.49 -0.18 -0.66 5.44 2.43 -2.00 0.56 114.38 127.47 3i9b h ARG 30 Ca -0.13 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3i9b h ARG 30 Cb 1.15 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3i9b h ARG 30 CO -0.03 -0.12 0.21 0.35 -1.51 0.00 0.00 179.97 178.87 3i9b h PHE 31 N -0.19 1.06 -0.19 2.20 3.57 -2.01 -2.98 116.94 118.41 3i9b h PHE 31 Ca 0.22 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3i9b h PHE 31 Cb 0.55 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3i9b h PHE 31 CO -0.64 0.86 0.05 0.87 -2.23 0.00 0.00 178.31 177.22 3i9b h LYS 32 N 0.96 0.13 -0.44 1.11 1.57 -1.22 -2.95 116.57 115.73 3i9b h LYS 32 Ca 0.21 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 3i9b h LYS 32 Cb 0.29 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.48 3i9b h LYS 32 CO -0.01 0.08 -0.36 0.93 -0.57 0.00 0.00 179.45 179.52 3i9b h GLU 33 N 0.13 -0.25 -0.41 3.15 5.08 0.14 -1.84 114.58 120.58 3i9b h GLU 33 Ca 0.08 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3i9b h GLU 33 Cb 0.07 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 3i9b h GLU 33 CO -0.10 -0.17 -0.39 0.93 -1.00 0.00 0.00 179.01 178.28 3i9b h GLU 34 N -0.26 -0.29 0.00 2.33 4.39 -1.44 1.06 114.58 120.38 3i9b h GLU 34 Ca 0.17 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3i9b h GLU 34 Cb 0.56 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3i9b h GLU 34 CO -0.58 -0.19 0.62 0.82 -1.16 0.00 0.00 179.01 178.52 3i9b h ILE 35 N -0.30 0.00 0.00 3.13 2.04 -1.23 0.38 117.51 121.53 3i9b h ILE 35 Ca 0.15 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.75 3i9b h ILE 35 Cb 0.57 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3i9b h ILE 35 CO -0.57 0.00 -1.53 0.18 0.00 0.00 0.00 178.15 176.24 3i9b n LEU 36 N -2.69 1.88 -0.32 1.44 4.77 0.33 -2.63 117.00 119.78 3i9b n LEU 36 Ca -0.01 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 3i9b n LEU 36 Cb 0.65 -0.91 0.24 0.00 -2.33 0.00 0.00 43.42 41.07 3i9b n LEU 36 CO 0.07 0.26 0.71 -2.11 -1.33 0.00 0.00 177.39 175.00 3i9b n ARG 37 N -4.40 -0.08 0.07 3.23 1.85 0.13 0.16 116.66 117.62 3i9b n ARG 37 Ca -0.35 1.40 -0.15 0.00 -1.00 0.00 0.00 57.85 57.75 3i9b n ARG 37 Cb 0.69 -2.19 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 3i9b n ARG 37 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3i9b h ILE 38 N 0.00 1.33 -0.62 8.89 2.04 -1.58 -2.04 117.51 125.52 3i9b h ILE 38 Ca 0.54 -2.96 0.10 0.00 1.00 0.00 0.00 64.86 63.53 3i9b h ILE 38 Cb 1.05 2.82 -0.08 0.00 -0.74 0.00 0.00 36.82 39.87 3i9b h ILE 38 CO -0.89 0.84 0.22 0.25 0.00 0.00 0.00 178.15 178.58 3i9b h LEU 39 N 0.06 0.20 0.07 1.44 5.85 0.18 -2.93 115.31 120.18 3i9b h LEU 39 Ca -0.18 0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 3i9b h LEU 39 Cb 1.97 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 3i9b h LEU 39 CO 0.17 0.12 -0.89 0.00 -0.34 0.00 0.00 178.44 177.49 3i9b h ALA 40 N 1.44 0.08 0.00 1.25 0.00 -0.60 -3.14 119.26 118.30 3i9b h ALA 40 Ca 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3i9b h ALA 40 Cb 0.42 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i9b h ALA 40 CO -0.33 0.49 0.57 -2.13 0.00 0.00 0.00 179.25 177.86 3i9b n ARG 41 N -4.23 0.04 -0.24 0.00 0.63 -0.77 0.33 116.66 112.42 3i9b n ARG 41 Ca -0.20 0.47 0.06 0.00 -0.92 0.00 0.00 57.85 57.27 3i9b n ARG 41 Cb 0.74 -2.19 0.17 0.00 0.45 0.00 0.00 32.46 31.63 3i9b n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i9b n GLU 42 N -1.79 2.76 -2.41 -0.14 -0.58 -1.12 -5.00 120.64 112.35 3i9b n GLU 42 Ca -0.00 -2.32 -0.03 0.00 -0.42 0.00 0.00 57.16 54.39 3i9b n GLU 42 Cb 0.58 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 30.00 3i9b n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i9b n GLY 43 N -0.17 0.56 0.01 0.62 0.00 1.01 -4.98 105.19 102.24 3i9b n GLY 43 Ca 0.14 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.74 3i9b n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9b n PHE 44 N -2.11 0.00 -3.96 1.61 3.72 -1.19 -5.01 117.46 110.51 3i9b n PHE 44 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3i9b n PHE 44 Cb 0.51 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3i9b n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i9b s ILE 45 N -2.86 0.03 0.09 4.37 -4.36 -1.26 -3.97 121.20 113.24 3i9b s ILE 45 Ca -0.04 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 3i9b s ILE 45 Cb 0.08 -1.99 -0.23 0.00 1.25 0.00 0.00 42.46 41.57 3i9b s ILE 45 CO 0.54 -0.14 1.17 0.11 0.24 0.00 0.00 174.94 176.86 3i9b h LYS 46 N 2.39 0.07 0.00 0.37 1.57 -1.45 -3.44 116.57 116.08 3i9b h LYS 46 Ca -0.29 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3i9b h LYS 46 Cb 1.24 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3i9b h LYS 46 CO 0.42 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.72 3i9b n GLY 47 N 1.43 -0.26 0.00 3.86 0.00 -1.26 -5.01 105.19 103.95 3i9b n GLY 47 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3i9b n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i9b n TYR 48 N 9.00 0.00 -3.58 1.61 0.18 -1.26 -2.43 117.16 120.69 3i9b n TYR 48 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 3i9b n TYR 48 Cb 0.00 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3i9b n TYR 48 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 3i9b n GLU 49 N -0.28 0.35 -3.01 -3.48 0.28 -1.24 -4.99 120.64 108.28 3i9b n GLU 49 Ca 0.00 -1.02 -0.44 0.00 -0.16 0.00 0.00 57.16 55.55 3i9b n GLU 49 Cb 0.00 1.08 0.00 0.00 1.43 0.00 0.00 31.44 33.96 3i9b n GLU 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i9b n ARG 50 N -0.22 3.92 0.00 3.44 1.74 -1.26 -3.75 116.66 120.52 3i9b n ARG 50 Ca -0.01 -4.29 0.00 0.00 -0.77 0.00 0.00 57.85 52.78 3i9b n ARG 50 Cb 0.23 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 3i9b n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i9b n VAL 51 N 2.45 0.00 0.00 1.55 0.24 -1.16 -4.90 118.33 116.51 3i9b n VAL 51 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3i9b n VAL 51 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3i9b n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i9b n ASP 52 N 0.00 0.00 -3.07 -1.34 2.03 -1.26 -4.27 116.55 108.64 3i9b n ASP 52 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3i9b n ASP 52 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3i9b n ASP 52 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i9b s VAL 53 N -2.00 -0.89 0.00 5.18 1.01 -1.13 -4.90 120.40 117.68 3i9b s VAL 53 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3i9b s VAL 53 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 3i9b s VAL 53 CO 0.00 -0.10 0.00 0.47 0.00 0.00 0.00 175.10 175.47 3i9b n ASP 54 N 3.80 -1.52 0.00 3.32 8.00 -1.26 -3.82 116.55 125.07 3i9b n ASP 54 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3i9b n ASP 54 Cb 0.55 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3i9b n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i9b n GLY 55 N -0.83 0.00 3.15 0.44 0.00 -1.26 -4.88 105.19 101.81 3i9b n GLY 55 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i9b n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9b s LYS 56 N -1.50 2.16 0.42 1.61 1.02 -1.25 -5.09 119.74 117.11 3i9b s LYS 56 Ca 0.00 -1.74 -0.22 0.00 0.02 0.00 0.00 55.97 54.03 3i9b s LYS 56 Cb 0.00 -3.63 -0.13 0.00 -0.52 0.00 0.00 37.83 33.56 3i9b s LYS 56 CO 0.00 -1.05 0.55 -0.35 -0.92 0.00 0.00 175.35 173.58 3i9b n PRO 57 N 4.68 0.57 -4.16 -1.68 -0.04 -1.26 -2.82 135.00 130.29 3i9b n PRO 57 Ca -0.05 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 3i9b n PRO 57 Cb 0.42 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 3i9b n PRO 57 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i9b s TYR 58 N -1.47 1.24 -0.07 0.54 1.51 -1.26 -2.00 117.35 115.84 3i9b s TYR 58 Ca 0.63 -1.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 3i9b s TYR 58 Cb -0.61 -0.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.95 3i9b s TYR 58 CO 0.58 -0.98 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.51 3i9b s LEU 59 N -3.25 0.84 -0.24 -1.29 1.43 0.11 -3.00 118.68 113.27 3i9b s LEU 59 Ca 0.34 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3i9b s LEU 59 Cb 0.01 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 3i9b s LEU 59 CO 0.21 -0.15 0.20 -0.60 0.23 0.00 0.00 176.35 176.24 3i9b s ARG 60 N 1.71 4.08 -0.33 1.70 3.52 -1.25 0.66 118.95 129.05 3i9b s ARG 60 Ca 0.02 -0.20 -0.09 0.00 -0.13 0.00 0.00 55.73 55.33 3i9b s ARG 60 Cb -0.13 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3i9b s ARG 60 CO -0.05 0.03 0.15 0.08 -0.81 0.00 0.00 175.30 174.70 3i9b s VAL 61 N 1.15 4.41 -0.43 7.11 1.01 -0.48 -3.62 120.40 129.55 3i9b s VAL 61 Ca 0.09 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3i9b s VAL 61 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3i9b s VAL 61 CO 0.05 -0.02 0.85 -0.31 0.00 0.00 0.00 175.10 175.67 3i9b s TYR 62 N 1.56 3.00 0.70 5.22 2.02 -1.02 -2.84 117.35 125.98 3i9b s TYR 62 Ca 0.03 0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.98 3i9b s TYR 62 Cb -0.18 -3.73 0.02 0.00 -0.40 0.00 0.00 41.96 37.67 3i9b s TYR 62 CO 0.05 -0.97 1.09 -0.51 -1.57 0.00 0.00 175.55 173.65 3i9b s LEU 63 N 3.45 3.25 0.02 -1.29 2.01 -0.90 -1.28 118.68 123.94 3i9b s LEU 63 Ca 0.34 1.89 0.08 0.00 0.01 0.00 0.00 54.13 56.44 3i9b s LEU 63 Cb -0.11 -4.53 -0.02 0.00 0.01 0.00 0.00 46.19 41.53 3i9b s LEU 63 CO 0.23 -1.73 -0.23 -0.75 1.01 0.00 0.00 176.35 174.88 3i9b s LYS 64 N -4.47 1.69 0.23 1.70 2.20 -1.25 -4.63 119.74 115.21 3i9b s LYS 64 Ca 0.64 -0.93 0.05 0.00 -0.36 0.00 0.00 55.97 55.37 3i9b s LYS 64 Cb -0.18 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 3i9b s LYS 64 CO 0.48 0.46 0.17 0.66 -0.36 0.00 0.00 175.35 176.76 3i9b n TYR 65 N 2.13 -0.43 -2.99 4.03 4.02 -1.26 -3.69 117.16 118.96 3i9b n TYR 65 Ca -0.16 -1.86 -0.17 0.00 -0.01 0.00 0.00 57.90 55.69 3i9b n TYR 65 Cb 0.52 0.16 0.02 0.00 -0.02 0.00 0.00 39.34 40.02 3i9b n TYR 65 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3i9b s GLY 66 N -2.58 1.93 0.42 2.72 0.00 -1.03 -4.80 107.32 103.97 3i9b s GLY 66 Ca 0.25 -1.69 -0.26 0.00 0.00 0.00 0.00 44.72 43.02 3i9b s GLY 66 CO 0.17 -1.48 1.42 2.56 0.00 0.00 0.00 173.10 175.77 3i9b s PRO 67 N -4.40 3.88 0.40 2.90 0.04 -1.26 -4.65 135.00 131.92 3i9b s PRO 67 Ca 0.56 2.41 -0.23 0.00 0.04 0.00 0.00 61.00 63.77 3i9b s PRO 67 Cb -0.10 -2.78 -0.13 0.00 0.04 0.00 0.00 34.50 31.54 3i9b s PRO 67 CO 0.34 -0.66 0.66 -2.13 0.04 0.00 0.00 177.00 175.25 3i9b n ARG 68 N 0.09 0.73 -3.00 4.56 0.63 -1.26 -4.65 116.66 113.76 3i9b n ARG 68 Ca 0.03 0.26 -0.19 0.00 -0.92 0.00 0.00 57.85 57.04 3i9b n ARG 68 Cb 0.41 -1.60 0.05 0.00 0.45 0.00 0.00 32.46 31.78 3i9b n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i9b n ARG 69 N 0.53 0.65 -4.39 -0.14 1.74 -1.11 -5.00 116.66 108.95 3i9b n ARG 69 Ca 0.11 -2.98 -0.29 0.00 -0.77 0.00 0.00 57.85 53.92 3i9b n ARG 69 Cb 0.38 -0.12 -0.12 0.00 -1.02 0.00 0.00 32.46 31.58 3i9b n ARG 69 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i9b s GLN 70 N -4.40 1.73 0.09 5.56 -1.52 -1.26 -4.74 119.66 115.12 3i9b s GLN 70 Ca 0.52 -1.19 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 3i9b s GLN 70 Cb -0.04 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 3i9b s GLN 70 CO 0.33 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.26 3i9b n GLY 71 N 0.95 -3.11 3.59 3.09 0.00 -1.26 -4.87 105.19 103.59 3i9b n GLY 71 Ca -0.16 -1.83 -0.47 0.00 0.00 0.00 0.00 46.02 43.55 3i9b n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i9b n PRO 72 N -0.38 1.34 -3.09 1.61 -0.02 -1.26 -3.64 135.00 129.56 3i9b n PRO 72 Ca 0.00 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3i9b n PRO 72 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3i9b n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i9b n ASP 73 N 1.91 -7.49 0.00 2.55 4.64 -1.26 -4.85 116.55 112.05 3i9b n ASP 73 Ca 0.14 0.02 0.01 0.00 -1.38 0.00 0.00 54.79 53.58 3i9b n ASP 73 Cb 0.27 -4.85 0.05 0.00 -1.04 0.00 0.00 41.12 35.54 3i9b n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3i9b n PRO 74 N -1.35 0.46 -1.70 -0.67 -0.04 -1.24 -4.82 135.00 125.64 3i9b n PRO 74 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 3i9b n PRO 74 Cb 0.51 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 3i9b n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9b n ARG 75 N -0.55 2.49 -1.31 0.54 1.74 -1.26 -2.74 116.66 115.56 3i9b n ARG 75 Ca 0.01 0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 57.67 3i9b n ARG 75 Cb 0.01 -2.71 0.09 0.00 -1.02 0.00 0.00 32.46 28.83 3i9b n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i9b s PRO 76 N 1.11 2.17 1.16 5.56 0.04 -1.26 -4.72 135.00 139.06 3i9b s PRO 76 Ca 0.77 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 3i9b s PRO 76 Cb -0.58 -1.87 0.27 0.00 0.04 0.00 0.00 34.50 32.35 3i9b s PRO 76 CO 0.35 -1.73 1.12 -2.00 0.04 0.00 0.00 177.00 174.78 3i9b s GLU 77 N -4.53 -0.87 0.21 4.56 2.12 -1.26 -4.85 118.70 114.07 3i9b s GLU 77 Ca 0.65 -0.00 0.05 0.00 0.36 0.00 0.00 54.97 56.03 3i9b s GLU 77 Cb -0.20 -1.63 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 3i9b s GLU 77 CO 0.51 -3.49 -0.08 -0.65 -0.54 0.00 0.00 175.26 171.02 3i9b s GLN 78 N -5.37 1.29 0.44 4.30 -0.21 -1.26 -2.47 119.66 116.38 3i9b s GLN 78 Ca 0.70 -1.61 0.24 0.00 0.02 0.00 0.00 55.36 54.71 3i9b s GLN 78 Cb -0.11 -0.84 0.57 0.00 1.00 0.00 0.00 33.01 33.63 3i9b s GLN 78 CO 0.56 0.05 1.68 0.28 -2.12 0.00 0.00 175.29 175.74 3i9b h VAL 79 N 2.55 0.19 -3.27 1.09 2.07 -1.87 -3.39 116.25 113.61 3i9b h VAL 79 Ca -0.38 -1.10 -0.62 0.00 0.82 0.00 0.00 66.70 65.42 3i9b h VAL 79 Cb 1.21 1.94 -0.40 0.00 -1.52 0.00 0.00 31.29 32.53 3i9b h VAL 79 CO 0.64 0.10 -0.73 -0.63 0.02 0.00 0.00 177.57 176.97 3i9b s ILE 80 N -3.31 1.55 -0.21 4.57 1.01 -1.26 -4.77 121.20 118.78 3i9b s ILE 80 Ca 0.05 -2.14 0.21 0.00 0.00 0.00 0.00 60.65 58.76 3i9b s ILE 80 Cb 0.07 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3i9b s ILE 80 CO 0.65 -0.73 1.03 0.45 0.00 0.00 0.00 174.94 176.34 3i9b h HIS 81 N 7.45 0.00 -2.04 3.97 3.86 -0.50 -3.47 115.15 124.43 3i9b h HIS 81 Ca -0.07 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 3i9b h HIS 81 Cb 0.98 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.24 3i9b h HIS 81 CO 0.43 0.17 -0.10 -1.58 0.86 0.00 0.00 177.93 177.72 3i9b s HIS 82 N -3.22 -1.22 0.01 2.45 5.65 -0.34 -5.03 115.29 113.59 3i9b s HIS 82 Ca -0.01 2.21 0.02 0.00 0.25 0.00 0.00 55.06 57.54 3i9b s HIS 82 Cb 0.09 0.72 -0.01 0.00 -1.18 0.00 0.00 32.58 32.20 3i9b s HIS 82 CO 0.79 -0.61 -0.07 -1.50 -0.65 0.00 0.00 174.74 172.69 3i9b s ILE 83 N 2.46 0.56 -0.30 0.89 2.07 -1.26 -0.23 121.20 125.40 3i9b s ILE 83 Ca -0.07 -0.54 -0.16 0.00 -1.41 0.00 0.00 60.65 58.47 3i9b s ILE 83 Cb -0.10 -0.52 0.16 0.00 0.13 0.00 0.00 42.46 42.14 3i9b s ILE 83 CO -0.19 -0.01 1.03 -0.60 -1.91 0.00 0.00 174.94 173.26 3i9b s ARG 84 N -0.61 0.29 0.47 3.50 3.52 -0.73 -5.01 118.95 120.37 3i9b s ARG 84 Ca -0.01 0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 55.95 3i9b s ARG 84 Cb -0.05 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 3i9b s ARG 84 CO 0.00 -0.08 1.27 0.50 -0.81 0.00 0.00 175.30 176.19 3i9b s ARG 85 N 1.83 3.65 -0.00 5.12 3.52 -1.26 -2.79 118.95 129.01 3i9b s ARG 85 Ca -0.06 2.05 -0.00 0.00 -0.13 0.00 0.00 55.73 57.60 3i9b s ARG 85 Cb -0.04 -2.49 -0.00 0.00 -1.56 0.00 0.00 34.95 30.86 3i9b s ARG 85 CO -0.16 -0.73 -0.00 -0.89 -0.81 0.00 0.00 175.30 172.71 3i9b n ILE 86 N -0.43 0.02 -1.92 4.11 2.08 -0.90 -4.90 119.36 117.42 3i9b n ILE 86 Ca 0.07 0.34 -0.42 0.00 0.56 0.00 0.00 62.75 63.29 3i9b n ILE 86 Cb 0.45 -1.35 -0.03 0.00 -0.75 0.00 0.00 39.64 37.97 3i9b n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3i9b s SER 87 N -4.35 6.48 0.54 4.38 0.15 -1.12 -4.91 113.70 114.87 3i9b s SER 87 Ca -0.00 2.21 0.07 0.00 0.70 0.00 0.00 55.95 58.93 3i9b s SER 87 Cb 0.00 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 3i9b s SER 87 CO 0.01 -1.08 0.52 -0.54 1.20 0.00 0.00 173.24 173.34 3i9b s LYS 88 N 4.41 2.30 0.26 5.44 1.02 -0.72 -4.89 119.74 127.56 3i9b s LYS 88 Ca 0.79 -1.86 0.26 0.00 0.02 0.00 0.00 55.97 55.18 3i9b s LYS 88 Cb -0.34 -2.29 0.85 0.00 -0.52 0.00 0.00 37.83 35.52 3i9b s LYS 88 CO 0.33 -0.64 1.76 -1.00 -0.92 0.00 0.00 175.35 174.87 3i9b h PRO 89 N 0.61 0.00 -0.00 -1.68 0.13 -1.94 -3.14 132.00 125.97 3i9b h PRO 89 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3i9b h PRO 89 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3i9b h PRO 89 CO 0.52 0.00 -0.75 0.41 -0.23 0.00 0.00 178.00 177.95 3i9b n GLY 90 N 0.87 -0.54 2.74 1.56 0.00 -1.26 -4.80 105.19 103.76 3i9b n GLY 90 Ca 0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 3i9b n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9b s ARG 91 N -2.56 0.57 0.45 1.61 3.52 -1.19 -5.14 118.95 116.21 3i9b s ARG 91 Ca 0.08 -0.75 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 3i9b s ARG 91 Cb 0.14 -0.74 -0.08 0.00 -1.56 0.00 0.00 34.95 32.71 3i9b s ARG 91 CO 0.68 -1.16 1.18 1.03 -0.81 0.00 0.00 175.30 176.22 3i9b s ARG 92 N 1.59 3.81 -0.34 5.12 1.81 -1.24 -1.75 118.95 127.94 3i9b s ARG 92 Ca 0.16 1.84 -0.01 0.00 -1.72 0.00 0.00 55.73 55.99 3i9b s ARG 92 Cb -0.15 -2.48 0.12 0.00 -0.45 0.00 0.00 34.95 31.98 3i9b s ARG 92 CO -0.09 -0.53 0.16 0.08 -0.68 0.00 0.00 175.30 174.25 3i9b s VAL 93 N -1.48 0.52 -0.13 3.52 1.01 -1.26 -4.92 120.40 117.65 3i9b s VAL 93 Ca 0.62 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 3i9b s VAL 93 Cb -0.30 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3i9b s VAL 93 CO 0.37 -0.81 0.06 -0.31 0.00 0.00 0.00 175.10 174.41 3i9b s TYR 94 N 1.38 3.31 -0.01 5.22 2.02 -1.26 -1.81 117.35 126.19 3i9b s TYR 94 Ca 0.13 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.10 3i9b s TYR 94 Cb -0.20 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3i9b s TYR 94 CO -0.17 0.42 -0.12 0.14 -1.57 0.00 0.00 175.55 174.26 3i9b s VAL 95 N -0.47 0.97 0.28 0.71 -7.23 -0.34 -4.98 120.40 109.34 3i9b s VAL 95 Ca 0.10 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.71 3i9b s VAL 95 Cb -0.12 -0.82 0.07 0.00 0.56 0.00 0.00 36.38 36.07 3i9b s VAL 95 CO 0.02 0.28 0.26 0.61 -0.31 0.00 0.00 175.10 175.95 3i9b n GLY 96 N 2.85 -2.39 0.22 2.32 0.00 -1.26 -1.41 105.19 105.51 3i9b n GLY 96 Ca -0.15 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 3i9b n GLY 96 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i9b h VAL 97 N -1.73 1.28 0.00 1.61 3.04 -1.85 -3.29 116.25 115.31 3i9b h VAL 97 Ca -0.10 -1.99 0.00 0.00 -1.01 0.00 0.00 66.70 63.60 3i9b h VAL 97 Cb 0.29 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 3i9b h VAL 97 CO 0.06 0.63 0.00 0.29 -1.01 0.00 0.00 177.57 177.54 3i9b n LYS 98 N -3.94 0.00 0.00 4.17 5.02 -1.26 -3.82 118.16 118.32 3i9b n LYS 98 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3i9b n LYS 98 Cb 0.76 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 3i9b n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i9b n GLU 99 N -0.50 0.00 -3.24 1.97 4.71 -1.24 -5.07 120.64 117.27 3i9b n GLU 99 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.93 3i9b n GLU 99 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 3i9b n GLU 99 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3i9b n ILE 100 N 0.00 -5.79 -1.12 -3.67 5.41 -1.25 -4.79 119.36 108.15 3i9b n ILE 100 Ca 0.00 0.49 -0.35 0.00 1.00 0.00 0.00 62.75 63.88 3i9b n ILE 100 Cb 0.00 -4.54 0.00 0.00 -0.71 0.00 0.00 39.64 34.40 3i9b n ILE 100 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3i9b n PRO 101 N 0.15 0.00 -2.94 0.38 -0.02 -1.26 -4.89 135.00 126.42 3i9b n PRO 101 Ca -0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.02 3i9b n PRO 101 Cb 0.55 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3i9b n PRO 101 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3i9b n ARG 102 N 1.28 3.37 -1.74 -0.52 1.85 -1.26 -4.89 116.66 114.74 3i9b n ARG 102 Ca 0.08 -3.84 -0.42 0.00 -1.00 0.00 0.00 57.85 52.67 3i9b n ARG 102 Cb 0.39 -3.05 -0.03 0.00 -1.05 0.00 0.00 32.46 28.73 3i9b n ARG 102 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i9b s VAL 103 N 1.59 2.49 -1.12 8.89 1.01 -1.26 -3.53 120.40 128.47 3i9b s VAL 103 Ca 0.43 0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.18 3i9b s VAL 103 Cb -0.03 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.34 3i9b s VAL 103 CO 0.00 0.00 0.63 -1.14 0.00 0.00 0.00 175.10 174.60 3i9b n ARG 104 N 5.33 -0.30 -2.66 2.72 3.00 -1.26 -0.62 116.66 122.87 3i9b n ARG 104 Ca 0.17 0.05 -0.07 0.00 -0.00 0.00 0.00 57.85 58.00 3i9b n ARG 104 Cb 0.38 -2.21 -0.01 0.00 0.00 0.00 0.00 32.46 30.63 3i9b n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9b n ARG 105 N -4.72 -2.68 0.00 -0.14 5.12 -1.23 0.50 116.66 113.51 3i9b n ARG 105 Ca -0.11 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3i9b n ARG 105 Cb 0.53 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 27.08 3i9b n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9b n GLY 106 N -0.66 3.05 0.11 -0.13 0.00 0.21 -4.90 105.19 102.86 3i9b n GLY 106 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.44 3i9b n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9b n LEU 107 N 0.00 0.23 0.00 0.99 4.77 0.18 -4.66 117.00 118.51 3i9b n LEU 107 Ca 0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3i9b n LEU 107 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3i9b n LEU 107 CO 0.00 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 3i9b n GLY 108 N -1.29 4.12 3.46 -0.72 0.00 -1.14 -4.98 105.19 104.64 3i9b n GLY 108 Ca -0.01 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 3i9b n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i9b s ILE 109 N 2.57 0.01 -0.27 -0.61 2.07 -1.04 -4.92 121.20 119.01 3i9b s ILE 109 Ca 0.00 -0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3i9b s ILE 109 Cb 0.00 -0.88 0.08 0.00 0.13 0.00 0.00 42.46 41.79 3i9b s ILE 109 CO 0.00 -0.06 0.05 0.00 -1.91 0.00 0.00 174.94 173.02 3i9b s ALA 110 N -0.91 1.63 0.38 1.50 0.00 -1.26 -1.76 121.76 121.34 3i9b s ALA 110 Ca -0.09 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.20 3i9b s ALA 110 Cb -0.02 -1.51 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 3i9b s ALA 110 CO 0.07 -1.46 0.90 0.42 0.00 0.00 0.00 175.76 175.69 3i9b s ILE 111 N 1.56 4.42 -0.28 0.00 1.01 -0.96 0.03 121.20 126.98 3i9b s ILE 111 Ca 0.04 1.44 -0.24 0.00 0.00 0.00 0.00 60.65 61.89 3i9b s ILE 111 Cb -0.18 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.72 3i9b s ILE 111 CO -0.16 -0.20 0.95 -1.48 0.00 0.00 0.00 174.94 174.05 3i9b s LEU 112 N -2.90 -0.54 -0.09 2.97 0.05 -0.27 -2.27 118.68 115.63 3i9b s LEU 112 Ca 0.58 1.01 -0.28 0.00 0.05 0.00 0.00 54.13 55.49 3i9b s LEU 112 Cb -0.11 2.01 -0.02 0.00 -2.05 0.00 0.00 46.19 46.02 3i9b s LEU 112 CO 0.16 -0.17 0.94 -0.55 -0.55 0.00 0.00 176.35 176.18 3i9b s SER 113 N 0.46 7.21 0.28 1.48 0.15 -0.90 -2.13 113.70 120.24 3i9b s SER 113 Ca 0.00 1.47 0.02 0.00 0.70 0.00 0.00 55.95 58.15 3i9b s SER 113 Cb -0.05 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 3i9b s SER 113 CO -0.07 -0.37 0.11 0.42 1.20 0.00 0.00 173.24 174.53 3i9b s THR 114 N 1.69 0.58 0.00 6.45 -4.23 -0.74 -2.05 115.64 117.34 3i9b s THR 114 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3i9b s THR 114 Cb -0.19 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3i9b s THR 114 CO 0.19 0.00 1.23 -1.54 -0.54 0.00 0.00 174.62 173.96 3i9b n SER 115 N -0.60 3.34 -1.65 3.99 3.41 -1.26 -1.97 113.62 118.87 3i9b n SER 115 Ca -0.00 -1.84 -0.04 0.00 -0.26 0.00 0.00 58.87 56.73 3i9b n SER 115 Cb 0.66 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3i9b n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i9b n LYS 116 N 1.41 0.50 0.00 4.33 5.02 -1.26 -5.14 118.16 123.01 3i9b n LYS 116 Ca 0.00 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 3i9b n LYS 116 Cb 0.35 0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 3i9b n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9b n GLY 117 N -0.41 -2.00 3.83 0.72 0.00 -0.83 -4.86 105.19 101.64 3i9b n GLY 117 Ca -0.18 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 3i9b n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 118 N 0.00 4.91 0.26 1.61 1.01 -1.26 -1.79 120.40 125.13 3i9b s VAL 118 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 3i9b s VAL 118 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3i9b s VAL 118 CO 0.00 0.46 0.28 -0.76 0.00 0.00 0.00 175.10 175.09 3i9b s LEU 119 N -1.38 1.07 0.18 3.92 1.43 -0.91 -4.98 118.68 118.02 3i9b s LEU 119 Ca 0.30 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.07 3i9b s LEU 119 Cb -0.17 0.87 -0.04 0.00 0.03 0.00 0.00 46.19 46.89 3i9b s LEU 119 CO 0.17 -1.02 0.14 0.42 0.23 0.00 0.00 176.35 176.29 3i9b s THR 120 N -3.82 4.43 0.30 5.49 -4.23 -1.26 -1.11 115.64 115.44 3i9b s THR 120 Ca 0.35 -1.17 0.16 0.00 -1.18 0.00 0.00 61.69 59.85 3i9b s THR 120 Cb 0.03 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.88 3i9b s THR 120 CO 0.16 -0.15 1.28 -0.90 -0.54 0.00 0.00 174.62 174.46 3i9b n ASP 121 N -0.49 0.25 0.05 3.99 5.75 0.10 0.18 116.55 126.39 3i9b n ASP 121 Ca -0.08 1.35 -0.11 0.00 -0.01 0.00 0.00 54.79 55.94 3i9b n ASP 121 Cb 0.55 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 3i9b n ASP 121 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3i9b h ARG 122 N 0.00 -0.20 -0.05 0.11 3.08 -1.94 -2.76 114.38 112.63 3i9b h ARG 122 Ca 0.67 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.75 3i9b h ARG 122 Cb 1.76 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 3i9b h ARG 122 CO -0.64 0.25 0.13 0.93 -1.07 0.00 0.00 179.97 179.57 3i9b h GLU 123 N -0.83 0.00 0.01 0.04 5.08 -0.64 0.45 114.58 118.68 3i9b h GLU 123 Ca -0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 3i9b h GLU 123 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3i9b h GLU 123 CO 0.03 0.00 -1.56 0.00 -1.00 0.00 0.00 179.01 176.48 3i9b h ALA 124 N 1.79 0.65 0.00 3.43 0.00 -1.12 -2.95 119.26 121.07 3i9b h ALA 124 Ca 0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 54.91 53.52 3i9b h ALA 124 Cb 0.27 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i9b h ALA 124 CO -0.00 1.49 -0.36 -0.09 0.00 0.00 0.00 179.25 180.28 3i9b h ARG 125 N 0.01 0.00 0.14 0.00 2.43 -0.60 0.46 114.38 116.81 3i9b h ARG 125 Ca -0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3i9b h ARG 125 Cb 1.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3i9b h ARG 125 CO 0.09 0.36 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.63 3i9b h LYS 126 N 0.00 -0.18 -0.07 0.20 3.64 -0.25 -3.19 116.57 116.72 3i9b h LYS 126 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i9b h LYS 126 Cb 1.08 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3i9b h LYS 126 CO 0.05 0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.71 3i9b n LEU 127 N -4.98 1.37 -1.21 5.20 7.99 -1.11 -4.96 117.00 119.30 3i9b n LEU 127 Ca -0.09 -0.51 -0.14 0.00 -0.01 0.00 0.00 56.01 55.27 3i9b n LEU 127 Cb 0.24 -0.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.47 3i9b n LEU 127 CO 0.31 0.25 -0.14 0.61 -1.51 0.00 0.00 177.39 176.91 3i9b n GLY 128 N 1.13 0.93 3.77 -0.72 0.00 0.01 -5.03 105.19 105.28 3i9b n GLY 128 Ca 0.18 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3i9b n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i9b s VAL 129 N -2.56 2.81 0.00 1.61 -7.23 -0.34 -4.75 120.40 109.93 3i9b s VAL 129 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3i9b s VAL 129 Cb 0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.93 3i9b s VAL 129 CO 0.00 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3i9b n GLY 130 N -1.27 5.33 0.00 2.32 0.00 -1.26 -4.43 105.19 105.88 3i9b n GLY 130 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3i9b n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 131 N 2.60 -0.52 3.54 -0.02 0.00 -0.50 -4.55 105.19 105.74 3i9b n GLY 131 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3i9b n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i9b s GLU 132 N -1.84 3.44 -1.07 1.61 2.12 -0.87 -1.20 118.70 120.89 3i9b s GLU 132 Ca 0.00 -0.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 3i9b s GLU 132 Cb 0.00 -3.88 -0.12 0.00 0.26 0.00 0.00 34.13 30.38 3i9b s GLU 132 CO 0.00 -0.85 1.94 -0.11 -0.54 0.00 0.00 175.26 175.70 3i9b n LEU 133 N 6.03 3.04 0.00 2.70 0.00 -0.75 -2.13 117.00 125.89 3i9b n LEU 133 Ca -0.03 -3.02 0.00 0.00 0.00 0.00 0.00 56.01 52.96 3i9b n LEU 133 Cb 0.48 -1.59 0.00 0.00 0.00 0.00 0.00 43.42 42.31 3i9b n LEU 133 CO 0.50 -1.74 0.39 -0.38 0.00 0.00 0.00 177.39 176.16 3i9b n ILE 134 N 7.57 0.00 -2.19 1.96 2.08 -0.96 -2.78 119.36 125.04 3i9b n ILE 134 Ca 0.45 1.20 0.00 0.00 0.56 0.00 0.00 62.75 64.97 3i9b n ILE 134 Cb 0.45 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 3i9b n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9b s GLU 136 N 0.66 0.73 0.03 0.00 -1.05 -1.12 -2.27 118.70 115.67 3i9b s GLU 136 Ca 0.00 -0.25 -0.19 0.00 -0.15 0.00 0.00 54.97 54.38 3i9b s GLU 136 Cb 0.00 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 3i9b s GLU 136 CO 0.00 -0.21 0.42 0.08 0.95 0.00 0.00 175.26 176.50 3i9b s VAL 137 N -1.64 0.05 0.00 1.83 1.01 -0.72 -1.78 120.40 119.15 3i9b s VAL 137 Ca -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3i9b s VAL 137 Cb -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3i9b s VAL 137 CO 0.03 -0.23 0.00 -2.67 0.00 0.00 0.00 175.10 172.23