#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n LEU 2 N 0.00 -5.46 0.12 3.17 4.77 -1.26 -4.89 117.00 113.45 3i9d n LEU 2 Ca 0.00 2.55 0.07 0.00 -0.03 0.00 0.00 56.01 58.61 3i9d n LEU 2 Cb 0.00 -2.77 0.02 0.00 -2.33 0.00 0.00 43.42 38.34 3i9d n LEU 2 CO 0.00 -1.73 0.20 0.71 -1.33 0.00 0.00 177.39 175.24 3i9d h THR 3 N 3.49 0.27 -2.50 -5.08 1.35 -2.07 -3.43 112.91 104.94 3i9d h THR 3 Ca 0.00 -1.45 -0.37 0.00 -0.55 0.00 0.00 66.41 64.04 3i9d h THR 3 Cb 0.00 1.90 -0.36 0.00 -1.73 0.00 0.00 68.15 67.95 3i9d h THR 3 CO 0.00 0.15 -0.67 -0.62 -0.25 0.00 0.00 175.52 174.14 3i9d s ASP 4 N -5.84 1.94 0.02 5.36 3.68 -1.26 -5.00 116.67 115.57 3i9d s ASP 4 Ca 0.01 -0.61 -0.26 0.00 2.13 0.00 0.00 52.55 53.82 3i9d s ASP 4 Cb 0.08 0.24 -0.17 0.00 -1.45 0.00 0.00 42.92 41.62 3i9d s ASP 4 CO 0.76 -0.37 1.32 -0.65 0.13 0.00 0.00 175.17 176.37 3i9d h PRO 5 N 8.32 -0.49 -0.01 4.34 0.11 -1.95 -2.57 132.00 139.75 3i9d h PRO 5 Ca -0.16 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.99 3i9d h PRO 5 Cb 1.10 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3i9d h PRO 5 CO 0.33 -0.20 -0.16 0.82 -0.21 0.00 0.00 178.00 178.58 3i9d h ILE 6 N -0.77 0.00 -1.13 4.15 5.03 -1.99 0.38 117.51 123.18 3i9d h ILE 6 Ca -0.05 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 65.02 3i9d h ILE 6 Cb 0.52 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.27 3i9d h ILE 6 CO 0.09 0.00 0.84 0.00 -0.68 0.00 0.00 178.15 178.40 3i9d h ALA 7 N -1.17 3.05 0.57 1.87 0.00 -1.98 0.29 119.26 121.90 3i9d h ALA 7 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i9d h ALA 7 Cb 0.21 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i9d h ALA 7 CO -0.11 -1.42 -0.27 0.22 0.00 0.00 0.00 179.25 177.66 3i9d h ASP 8 N 0.00 -0.64 -0.03 0.00 3.58 -0.41 -2.81 116.42 116.10 3i9d h ASP 8 Ca 0.54 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.01 3i9d h ASP 8 Cb 2.22 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 43.43 3i9d h ASP 8 CO -0.01 -0.34 -0.02 0.80 -2.88 0.00 0.00 179.24 176.79 3i9d n MET 9 N -4.71 -0.01 -0.30 0.28 1.56 0.11 0.50 117.12 114.56 3i9d n MET 9 Ca -0.09 0.92 0.13 0.00 -0.27 0.00 0.00 57.70 58.38 3i9d n MET 9 Cb 0.30 -1.38 0.28 0.00 2.15 0.00 0.00 33.22 34.57 3i9d n MET 9 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3i9d h LEU 10 N 0.00 -0.09 -0.56 -0.89 3.38 -1.49 0.50 115.31 116.17 3i9d h LEU 10 Ca 0.00 0.21 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 3i9d h LEU 10 Cb 0.01 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3i9d h LEU 10 CO -0.03 -0.19 -0.53 0.74 0.09 0.00 0.00 178.44 178.53 3i9d h THR 11 N 0.17 1.32 -0.78 0.22 2.02 -0.62 0.21 112.91 115.46 3i9d h THR 11 Ca 0.55 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.98 3i9d h THR 11 Cb 1.11 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 3i9d h THR 11 CO -0.69 0.55 0.50 -0.09 0.37 0.00 0.00 175.52 176.16 3i9d h ARG 12 N 0.41 0.98 -0.18 6.66 2.43 0.47 0.68 114.38 125.84 3i9d h ARG 12 Ca 0.01 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3i9d h ARG 12 Cb 1.06 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3i9d h ARG 12 CO 0.10 0.65 -0.16 0.82 -1.51 0.00 0.00 179.97 179.86 3i9d h ILE 13 N 1.01 1.33 0.00 1.20 2.04 -0.45 -1.74 117.51 120.90 3i9d h ILE 13 Ca 0.30 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3i9d h ILE 13 Cb -0.05 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3i9d h ILE 13 CO -0.09 0.39 -0.01 -0.09 0.00 0.00 0.00 178.15 178.36 3i9d h ARG 14 N 0.08 0.00 0.00 2.37 2.43 0.06 -2.00 114.38 117.32 3i9d h ARG 14 Ca 0.03 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 3i9d h ARG 14 Cb 0.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3i9d h ARG 14 CO 0.04 0.01 -0.69 -0.91 -1.51 0.00 0.00 179.97 176.91 3i9d h ASN 15 N 0.00 0.00 -0.83 -3.80 2.35 -0.69 -3.24 115.58 109.37 3i9d h ASN 15 Ca -0.00 -0.63 0.19 0.00 -0.55 0.00 0.00 56.30 55.31 3i9d h ASN 15 Cb 0.14 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.39 3i9d h ASN 15 CO 0.00 1.22 0.29 0.00 -1.65 0.00 0.00 177.43 177.28 3i9d h ALA 16 N -0.37 1.20 0.00 -0.83 0.00 -1.00 0.20 119.26 118.46 3i9d h ALA 16 Ca -0.18 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i9d h ALA 16 Cb 1.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3i9d h ALA 16 CO -0.11 -0.34 -0.17 1.79 0.00 0.00 0.00 179.25 180.42 3i9d h THR 17 N 0.34 0.63 0.00 0.00 1.35 -1.52 -1.99 112.91 111.71 3i9d h THR 17 Ca 0.49 -0.74 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 3i9d h THR 17 Cb 0.89 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 3i9d h THR 17 CO -0.53 0.17 -0.44 0.03 -0.25 0.00 0.00 175.52 174.50 3i9d h ARG 18 N 0.00 0.00 0.00 4.72 -0.00 -0.61 -3.02 114.38 115.46 3i9d h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3i9d h ARG 18 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.43 3i9d h ARG 18 CO 0.02 0.44 -1.52 1.33 0.00 0.00 0.00 179.97 180.24 3i9d n VAL 19 N -3.83 0.11 -1.78 2.04 0.24 -1.11 -5.02 118.33 108.98 3i9d n VAL 19 Ca -0.01 -0.37 -0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3i9d n VAL 19 Cb 0.49 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 3i9d n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i9d n TYR 20 N -2.13 -0.59 -4.73 6.34 4.01 -0.79 -5.06 117.16 114.21 3i9d n TYR 20 Ca -0.01 0.23 -0.33 0.00 -0.16 0.00 0.00 57.90 57.63 3i9d n TYR 20 Cb 0.50 -1.99 -0.15 0.00 -0.31 0.00 0.00 39.34 37.39 3i9d n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i9d s LYS 21 N -2.56 3.30 0.10 -0.72 2.20 -0.98 -5.02 119.74 116.06 3i9d s LYS 21 Ca 0.01 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.85 3i9d s LYS 21 Cb -0.00 -2.61 0.13 0.00 -1.51 0.00 0.00 37.83 33.84 3i9d s LYS 21 CO 0.14 0.14 0.58 -1.91 -0.36 0.00 0.00 175.35 173.95 3i9d n GLU 22 N 3.71 -0.06 -3.60 4.03 4.07 -1.26 -4.64 120.64 122.88 3i9d n GLU 22 Ca -0.18 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3i9d n GLU 22 Cb 0.52 -0.86 -0.01 0.00 -0.06 0.00 0.00 31.44 31.03 3i9d n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3i9d s SER 23 N -5.12 -0.05 0.18 4.31 1.04 -1.26 -2.11 113.70 110.70 3i9d s SER 23 Ca -0.05 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.37 3i9d s SER 23 Cb 0.09 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3i9d s SER 23 CO 0.28 -0.14 -0.02 0.42 0.98 0.00 0.00 173.24 174.76 3i9d s THR 24 N -2.22 0.88 0.59 2.02 -4.23 -1.17 -4.90 115.64 106.61 3i9d s THR 24 Ca 0.13 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.72 3i9d s THR 24 Cb 0.03 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.83 3i9d s THR 24 CO -0.04 -0.49 0.79 -1.81 -0.54 0.00 0.00 174.62 172.52 3i9d s ASP 25 N -3.21 5.01 -0.30 3.99 1.11 -1.26 -0.03 116.67 121.98 3i9d s ASP 25 Ca 0.24 -0.93 -0.17 0.00 0.18 0.00 0.00 52.55 51.87 3i9d s ASP 25 Cb 0.05 0.41 0.18 0.00 1.07 0.00 0.00 42.92 44.63 3i9d s ASP 25 CO 0.05 -1.39 1.22 0.54 1.18 0.00 0.00 175.17 176.77 3i9d s VAL 26 N -2.71 -0.02 0.01 -1.27 0.11 -1.08 -4.85 120.40 110.59 3i9d s VAL 26 Ca 0.60 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 3i9d s VAL 26 Cb -0.05 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 3i9d s VAL 26 CO 0.38 0.00 0.34 -2.65 -3.33 0.00 0.00 175.10 169.84 3i9d n PRO 27 N 5.24 0.00 -1.25 1.54 -0.02 -1.26 -2.52 135.00 136.72 3i9d n PRO 27 Ca 0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.15 3i9d n PRO 27 Cb 0.57 -0.49 0.11 0.00 -0.02 0.00 0.00 33.50 33.68 3i9d n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9d s ALA 28 N -0.04 1.96 0.00 3.55 0.00 0.77 -4.78 121.76 123.22 3i9d s ALA 28 Ca 0.30 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3i9d s ALA 28 Cb -0.41 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3i9d s ALA 28 CO 0.19 -2.12 0.00 0.45 0.00 0.00 0.00 175.76 174.28 3i9d n SER 29 N -3.04 0.00 -0.15 0.00 2.88 -1.26 -4.97 113.62 107.08 3i9d n SER 29 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3i9d n SER 29 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 3i9d n SER 29 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3i9d n ARG 30 N 0.00 -0.07 -0.06 -1.46 0.63 -1.26 0.11 116.66 114.55 3i9d n ARG 30 Ca 0.00 0.60 -0.13 0.00 -0.92 0.00 0.00 57.85 57.40 3i9d n ARG 30 Cb 0.00 -0.90 -0.07 0.00 0.45 0.00 0.00 32.46 31.95 3i9d n ARG 30 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 3i9d h PHE 31 N 0.00 0.46 -0.01 -0.14 3.57 -2.00 -2.66 116.94 116.16 3i9d h PHE 31 Ca 0.15 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i9d h PHE 31 Cb 0.25 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3i9d h PHE 31 CO -0.33 0.74 0.25 0.87 -2.23 0.00 0.00 178.31 177.61 3i9d h LYS 32 N 0.04 0.00 0.00 1.11 1.79 0.44 -2.67 116.57 117.28 3i9d h LYS 32 Ca 0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3i9d h LYS 32 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3i9d h LYS 32 CO 0.03 0.00 -0.48 0.93 -1.08 0.00 0.00 179.45 178.85 3i9d h GLU 33 N 0.00 0.00 -0.78 3.15 5.08 -1.09 -2.55 114.58 118.39 3i9d h GLU 33 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 3i9d h GLU 33 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3i9d h GLU 33 CO -0.00 0.18 1.08 0.93 -1.00 0.00 0.00 179.01 180.19 3i9d h GLU 34 N -1.00 0.00 0.00 2.33 4.39 -1.16 1.44 114.58 120.58 3i9d h GLU 34 Ca -0.05 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 3i9d h GLU 34 Cb 0.53 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3i9d h GLU 34 CO -0.03 0.00 -1.01 0.82 -1.16 0.00 0.00 179.01 177.64 3i9d h ILE 35 N 0.00 0.99 -0.35 3.13 2.04 -1.62 -3.30 117.51 118.40 3i9d h ILE 35 Ca 0.37 -2.12 0.05 0.00 1.00 0.00 0.00 64.86 64.15 3i9d h ILE 35 Cb 2.52 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 40.81 3i9d h ILE 35 CO -0.00 0.34 0.08 -0.07 0.00 0.00 0.00 178.15 178.49 3i9d h LEU 36 N -1.00 0.03 -0.59 1.44 3.38 0.20 -2.67 115.31 116.10 3i9d h LEU 36 Ca -0.27 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.87 3i9d h LEU 36 Cb 1.20 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 3i9d h LEU 36 CO -0.16 0.05 -0.11 -0.09 0.09 0.00 0.00 178.44 178.22 3i9d h ARG 37 N 0.20 0.03 -0.00 1.13 2.43 0.32 -0.09 114.38 118.39 3i9d h ARG 37 Ca 0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i9d h ARG 37 Cb 0.18 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3i9d h ARG 37 CO -0.21 0.02 0.00 0.82 -1.51 0.00 0.00 179.97 179.09 3i9d h ILE 38 N 0.03 0.92 0.00 1.20 2.04 -1.56 0.16 117.51 120.30 3i9d h ILE 38 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 3i9d h ILE 38 Cb 0.46 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3i9d h ILE 38 CO -0.59 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.74 3i9d n LEU 39 N -4.42 0.16 -0.07 1.44 4.32 -0.07 -1.47 117.00 116.89 3i9d n LEU 39 Ca -0.03 0.52 -0.05 0.00 -0.02 0.00 0.00 56.01 56.42 3i9d n LEU 39 Cb 0.09 -0.47 -0.03 0.00 -1.62 0.00 0.00 43.42 41.40 3i9d n LEU 39 CO 0.33 -0.07 -0.24 0.00 -1.22 0.00 0.00 177.39 176.18 3i9d h ALA 40 N 2.84 0.03 -0.00 -1.18 0.00 -0.41 0.35 119.26 120.89 3i9d h ALA 40 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i9d h ALA 40 Cb 0.51 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i9d h ALA 40 CO 0.00 0.37 0.00 -0.09 0.00 0.00 0.00 179.25 179.54 3i9d h ARG 41 N -1.00 0.00 -0.01 0.00 1.12 -1.30 0.50 114.38 113.68 3i9d h ARG 41 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3i9d h ARG 41 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 3i9d h ARG 41 CO -0.02 0.00 -0.27 0.39 -3.11 0.00 0.00 179.97 176.96 3i9d n GLU 42 N -3.11 0.89 -3.01 0.20 -0.58 -0.54 -4.96 120.64 109.53 3i9d n GLU 42 Ca -0.03 -0.54 -0.12 0.00 -0.42 0.00 0.00 57.16 56.05 3i9d n GLU 42 Cb 0.07 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.49 3i9d n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i9d n GLY 43 N 1.34 0.22 0.01 0.62 0.00 0.17 -4.92 105.19 102.63 3i9d n GLY 43 Ca 0.12 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3i9d n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9d n PHE 44 N -3.73 0.00 -3.80 1.61 3.72 0.10 -4.93 117.46 110.43 3i9d n PHE 44 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3i9d n PHE 44 Cb 0.53 -0.39 -0.15 0.00 -0.94 0.00 0.00 39.48 38.53 3i9d n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i9d s ILE 45 N -3.16 -0.04 0.64 4.37 -4.36 -0.15 -4.25 121.20 114.25 3i9d s ILE 45 Ca -0.06 0.14 0.30 0.00 -0.26 0.00 0.00 60.65 60.77 3i9d s ILE 45 Cb 0.11 -0.08 0.33 0.00 1.25 0.00 0.00 42.46 44.07 3i9d s ILE 45 CO 0.70 0.06 1.96 0.11 0.24 0.00 0.00 174.94 178.01 3i9d h LYS 46 N 6.88 0.00 0.00 0.37 1.57 -1.62 -3.38 116.57 120.40 3i9d h LYS 46 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3i9d h LYS 46 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3i9d h LYS 46 CO 0.48 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 3i9d n GLY 47 N -1.30 0.72 0.00 3.86 0.00 -1.18 -5.00 105.19 102.29 3i9d n GLY 47 Ca 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3i9d n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i9d n TYR 48 N 5.36 0.00 0.00 1.61 0.18 -1.26 -0.56 117.16 122.49 3i9d n TYR 48 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3i9d n TYR 48 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3i9d n TYR 48 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 3i9d n GLU 49 N 0.00 0.00 -0.94 -3.48 0.28 -1.15 -4.92 120.64 110.43 3i9d n GLU 49 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 3i9d n GLU 49 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 3i9d n GLU 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i9d n ARG 50 N 0.00 0.02 -0.05 3.44 1.74 -1.26 -3.50 116.66 117.05 3i9d n ARG 50 Ca 0.00 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 3i9d n ARG 50 Cb 0.00 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 3i9d n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i9d n VAL 51 N 6.11 0.00 -3.83 1.55 0.24 -1.20 -4.98 118.33 116.22 3i9d n VAL 51 Ca 0.26 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.46 3i9d n VAL 51 Cb 0.40 -1.93 -0.08 0.00 -1.47 0.00 0.00 33.84 30.76 3i9d n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i9d s ASP 52 N -1.00 0.03 -0.16 -1.34 2.15 -1.26 -3.56 116.67 111.53 3i9d s ASP 52 Ca 0.00 -0.45 -0.06 0.00 0.43 0.00 0.00 52.55 52.47 3i9d s ASP 52 Cb 0.00 0.33 0.08 0.00 -0.30 0.00 0.00 42.92 43.02 3i9d s ASP 52 CO 0.00 -0.65 0.34 -0.69 -0.17 0.00 0.00 175.17 174.01 3i9d s VAL 53 N -3.14 -0.51 -0.72 1.11 1.01 -0.64 -4.89 120.40 112.62 3i9d s VAL 53 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3i9d s VAL 53 Cb 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3i9d s VAL 53 CO -0.07 0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.59 3i9d n ASP 54 N 5.32 -2.14 0.00 3.32 8.00 -1.26 0.11 116.55 129.90 3i9d n ASP 54 Ca -0.08 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3i9d n ASP 54 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 3i9d n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i9d n GLY 55 N -0.30 0.76 3.32 0.44 0.00 -1.26 -5.06 105.19 103.08 3i9d n GLY 55 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3i9d n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9d s LYS 56 N -0.74 3.10 0.06 1.61 1.02 0.31 -5.09 119.74 120.01 3i9d s LYS 56 Ca 0.00 -0.78 -0.31 0.00 0.02 0.00 0.00 55.97 54.91 3i9d s LYS 56 Cb 0.00 -2.44 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 3i9d s LYS 56 CO 0.00 0.26 1.70 -1.25 -0.92 0.00 0.00 175.35 175.14 3i9d s PRO 57 N 0.20 4.18 0.33 -1.68 0.04 -1.26 -1.62 135.00 135.19 3i9d s PRO 57 Ca -0.11 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.33 3i9d s PRO 57 Cb -0.16 -3.70 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 3i9d s PRO 57 CO 0.06 -0.78 0.12 0.66 0.04 0.00 0.00 177.00 177.10 3i9d n TYR 58 N 5.97 0.10 -3.56 0.56 4.02 -1.23 -0.16 117.16 122.86 3i9d n TYR 58 Ca 0.17 -2.10 -0.20 0.00 -0.01 0.00 0.00 57.90 55.75 3i9d n TYR 58 Cb 0.41 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.58 3i9d n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i9d s LEU 59 N 0.00 0.04 -0.16 7.72 1.43 -1.05 -3.25 118.68 123.41 3i9d s LEU 59 Ca 0.17 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3i9d s LEU 59 Cb 0.01 0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 3i9d s LEU 59 CO 0.12 -0.32 1.35 -0.13 0.23 0.00 0.00 176.35 177.60 3i9d s ARG 60 N 2.26 4.18 -0.47 1.70 1.81 -1.23 -2.62 118.95 124.59 3i9d s ARG 60 Ca 0.05 1.72 -0.08 0.00 -1.72 0.00 0.00 55.73 55.70 3i9d s ARG 60 Cb -0.15 -3.82 0.12 0.00 -0.45 0.00 0.00 34.95 30.65 3i9d s ARG 60 CO -0.10 -0.79 0.33 0.08 -0.68 0.00 0.00 175.30 174.14 3i9d s VAL 61 N 3.73 4.04 -0.60 3.52 1.01 0.96 -2.92 120.40 130.13 3i9d s VAL 61 Ca 0.59 -1.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 3i9d s VAL 61 Cb -0.23 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3i9d s VAL 61 CO 0.18 -0.77 1.78 -0.31 0.00 0.00 0.00 175.10 175.98 3i9d s TYR 62 N 1.27 1.76 0.49 5.22 2.02 0.27 -3.03 117.35 125.36 3i9d s TYR 62 Ca 0.07 0.68 -0.20 0.00 -0.37 0.00 0.00 57.07 57.25 3i9d s TYR 62 Cb -0.25 -4.16 -0.08 0.00 -0.40 0.00 0.00 41.96 37.07 3i9d s TYR 62 CO -0.02 -2.31 1.07 -0.51 -1.57 0.00 0.00 175.55 172.22 3i9d s LEU 63 N 8.45 3.85 0.10 -1.29 2.01 -0.90 -1.80 118.68 129.10 3i9d s LEU 63 Ca 0.64 2.03 0.06 0.00 0.01 0.00 0.00 54.13 56.87 3i9d s LEU 63 Cb -0.13 -4.52 -0.04 0.00 0.01 0.00 0.00 46.19 41.51 3i9d s LEU 63 CO 0.21 -0.89 -0.02 -0.75 1.01 0.00 0.00 176.35 175.90 3i9d s LYS 64 N -3.16 2.43 0.00 1.70 2.20 -1.26 -4.64 119.74 117.01 3i9d s LYS 64 Ca 0.68 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3i9d s LYS 64 Cb -0.20 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3i9d s LYS 64 CO 0.23 0.53 0.00 0.66 -0.36 0.00 0.00 175.35 176.41 3i9d n TYR 65 N 0.55 0.00 -2.25 4.03 4.02 -1.26 -4.25 117.16 118.00 3i9d n TYR 65 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3i9d n TYR 65 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 3i9d n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9d n GLY 66 N 1.53 4.63 3.59 2.72 0.00 -1.21 -4.27 105.19 112.19 3i9d n GLY 66 Ca 0.00 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 3i9d n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9d s PRO 67 N 1.43 3.90 -0.76 1.61 0.04 -1.26 -4.82 135.00 135.14 3i9d s PRO 67 Ca 0.00 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 3i9d s PRO 67 Cb 0.00 -3.69 -0.16 0.00 0.04 0.00 0.00 34.50 30.68 3i9d s PRO 67 CO 0.00 -0.34 2.43 -2.13 0.04 0.00 0.00 177.00 177.00 3i9d n ARG 68 N 5.35 0.52 -0.01 4.56 0.63 -1.26 -4.54 116.66 121.91 3i9d n ARG 68 Ca -0.09 -0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 56.56 3i9d n ARG 68 Cb 0.50 -2.75 0.02 0.00 0.45 0.00 0.00 32.46 30.68 3i9d n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i9d n ARG 69 N 8.27 -2.17 -4.37 -0.14 3.00 -1.08 -4.95 116.66 115.21 3i9d n ARG 69 Ca 0.51 -0.09 -0.19 0.00 -0.01 0.00 0.00 57.85 58.07 3i9d n ARG 69 Cb 0.35 -0.11 -0.15 0.00 0.00 0.00 0.00 32.46 32.54 3i9d n ARG 69 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3i9d s GLN 70 N -3.12 0.85 0.00 5.56 -2.07 -1.26 -4.74 119.66 114.87 3i9d s GLN 70 Ca 0.04 -0.30 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3i9d s GLN 70 Cb -0.01 -0.81 0.00 0.00 -1.09 0.00 0.00 33.01 31.11 3i9d s GLN 70 CO 0.03 0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 3i9d n GLY 71 N 3.12 0.29 3.66 2.60 0.00 -1.26 -4.99 105.19 108.61 3i9d n GLY 71 Ca -0.16 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.21 3i9d n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i9d n PRO 72 N 0.00 0.42 -3.21 1.61 -0.02 -1.26 -3.62 135.00 128.93 3i9d n PRO 72 Ca 0.00 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 3i9d n PRO 72 Cb 0.00 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.12 3i9d n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i9d n ASP 73 N -2.45 -7.01 0.22 2.55 4.64 -1.26 -4.90 116.55 108.33 3i9d n ASP 73 Ca 0.14 -0.13 0.10 0.00 -1.38 0.00 0.00 54.79 53.51 3i9d n ASP 73 Cb 0.50 -4.24 0.44 0.00 -1.04 0.00 0.00 41.12 36.78 3i9d n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3i9d h PRO 74 N 0.80 0.00 -4.98 -0.67 0.13 -1.85 -3.46 132.00 121.97 3i9d h PRO 74 Ca -0.19 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.37 3i9d h PRO 74 Cb 1.12 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.33 3i9d h PRO 74 CO 0.29 0.24 -0.34 0.54 -0.23 0.00 0.00 178.00 178.50 3i9d n ARG 75 N -3.40 0.00 0.00 0.86 1.74 -1.26 -2.65 116.66 111.95 3i9d n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9d n ARG 75 Cb 0.44 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 3i9d n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i9d n PRO 76 N 0.92 1.69 -4.55 5.56 -0.04 -1.26 -4.49 135.00 132.84 3i9d n PRO 76 Ca 0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.30 3i9d n PRO 76 Cb 0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.58 3i9d n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3i9d s GLU 77 N 0.00 2.22 -0.00 0.54 2.12 -1.26 -4.90 118.70 117.41 3i9d s GLU 77 Ca 0.00 -2.32 0.01 0.00 0.36 0.00 0.00 54.97 53.02 3i9d s GLU 77 Cb 0.00 -1.67 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 3i9d s GLU 77 CO 0.00 -0.43 0.02 -0.65 -0.54 0.00 0.00 175.26 173.65 3i9d s GLN 78 N -3.98 2.85 0.12 4.30 -1.52 -1.26 -3.34 119.66 116.82 3i9d s GLN 78 Ca 0.12 -0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 52.84 3i9d s GLN 78 Cb 0.00 -2.71 -0.10 0.00 -0.22 0.00 0.00 33.01 29.99 3i9d s GLN 78 CO 0.07 0.63 1.37 0.28 -0.25 0.00 0.00 175.29 177.39 3i9d h VAL 79 N 3.48 1.28 -3.67 1.09 2.07 -1.74 -3.38 116.25 115.38 3i9d h VAL 79 Ca -0.49 -1.84 -0.68 0.00 0.82 0.00 0.00 66.70 64.51 3i9d h VAL 79 Cb 1.18 1.79 -0.36 0.00 -1.52 0.00 0.00 31.29 32.37 3i9d h VAL 79 CO 0.58 0.59 -0.67 -0.63 0.02 0.00 0.00 177.57 177.46 3i9d s ILE 80 N -3.96 2.74 -0.36 4.57 1.01 -1.25 -4.88 121.20 119.06 3i9d s ILE 80 Ca -0.10 -1.94 0.23 0.00 0.00 0.00 0.00 60.65 58.84 3i9d s ILE 80 Cb 0.10 -2.81 0.14 0.00 0.01 0.00 0.00 42.46 39.89 3i9d s ILE 80 CO 0.89 -0.43 1.30 0.45 0.00 0.00 0.00 174.94 177.15 3i9d h HIS 81 N 7.86 0.00 -2.57 3.97 3.86 -0.26 -3.46 115.15 124.55 3i9d h HIS 81 Ca -0.13 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 3i9d h HIS 81 Cb 1.04 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.26 3i9d h HIS 81 CO 0.55 0.00 -0.22 -1.58 0.86 0.00 0.00 177.93 177.54 3i9d s HIS 82 N -3.28 -0.61 -0.23 2.45 5.65 -1.23 -5.01 115.29 113.02 3i9d s HIS 82 Ca 0.03 1.36 -0.09 0.00 0.25 0.00 0.00 55.06 56.61 3i9d s HIS 82 Cb 0.08 0.27 0.10 0.00 -1.18 0.00 0.00 32.58 31.85 3i9d s HIS 82 CO 0.73 -0.32 0.52 -1.50 -0.65 0.00 0.00 174.74 173.52 3i9d s ILE 83 N 0.98 -0.60 0.02 0.89 2.07 -1.26 0.82 121.20 124.13 3i9d s ILE 83 Ca -0.06 0.09 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 3i9d s ILE 83 Cb -0.06 -0.80 0.05 0.00 0.13 0.00 0.00 42.46 41.78 3i9d s ILE 83 CO -0.08 0.04 0.49 0.00 -1.91 0.00 0.00 174.94 173.48 3i9d s ARG 84 N 2.42 0.97 0.63 3.50 1.70 -0.97 -4.90 118.95 122.30 3i9d s ARG 84 Ca -0.05 -0.18 -0.13 0.00 -0.47 0.00 0.00 55.73 54.90 3i9d s ARG 84 Cb -0.11 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3i9d s ARG 84 CO -0.15 -0.33 1.05 0.50 -1.08 0.00 0.00 175.30 175.29 3i9d s ARG 85 N -2.10 3.22 0.00 3.89 3.52 -1.26 -1.91 118.95 124.30 3i9d s ARG 85 Ca -0.07 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 3i9d s ARG 85 Cb -0.01 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 3i9d s ARG 85 CO 0.01 -0.88 0.00 -0.89 -0.81 0.00 0.00 175.30 172.73 3i9d n ILE 86 N -2.53 0.00 -1.59 4.11 2.08 0.08 -4.85 119.36 116.66 3i9d n ILE 86 Ca 0.08 0.00 -0.46 0.00 0.56 0.00 0.00 62.75 62.92 3i9d n ILE 86 Cb 0.53 -0.08 -0.05 0.00 -0.75 0.00 0.00 39.64 39.30 3i9d n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3i9d n SER 87 N -0.07 3.10 -4.78 4.38 2.88 -0.86 -4.89 113.62 113.38 3i9d n SER 87 Ca 0.00 0.52 -0.22 0.00 -1.33 0.00 0.00 58.87 57.84 3i9d n SER 87 Cb 0.00 -1.43 -0.05 0.00 -0.75 0.00 0.00 64.21 61.98 3i9d n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3i9d s LYS 88 N 5.56 2.60 0.47 -1.46 1.02 -0.31 -4.85 119.74 122.77 3i9d s LYS 88 Ca 1.00 -1.34 0.13 0.00 0.02 0.00 0.00 55.97 55.78 3i9d s LYS 88 Cb -0.58 -2.36 1.08 0.00 -0.52 0.00 0.00 37.83 35.46 3i9d s LYS 88 CO 0.44 0.20 2.09 -1.00 -0.92 0.00 0.00 175.35 176.16 3i9d h PRO 89 N 1.48 0.26 -0.18 -1.68 0.13 -1.94 -2.24 132.00 127.82 3i9d h PRO 89 Ca -0.45 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 3i9d h PRO 89 Cb 1.25 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i9d h PRO 89 CO 0.61 0.17 -0.59 0.78 -0.23 0.00 0.00 178.00 178.74 3i9d h GLY 90 N 0.27 0.80 -7.32 1.56 0.00 -1.99 -3.42 103.07 92.97 3i9d h GLY 90 Ca 0.10 -1.04 -0.53 0.00 0.00 0.00 0.00 47.33 45.86 3i9d h GLY 90 CO -0.02 0.93 -0.77 -1.60 0.00 0.00 0.00 176.54 175.08 3i9d s ARG 91 N -3.88 0.82 0.30 4.80 3.52 -0.85 -5.13 118.95 118.53 3i9d s ARG 91 Ca -0.11 -0.50 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 3i9d s ARG 91 Cb 0.08 -2.16 -0.09 0.00 -1.56 0.00 0.00 34.95 31.21 3i9d s ARG 91 CO 0.87 -0.62 0.96 1.03 -0.81 0.00 0.00 175.30 176.73 3i9d s ARG 92 N 1.78 4.65 -0.30 5.12 1.81 -1.15 -1.16 118.95 129.70 3i9d s ARG 92 Ca -0.02 1.44 -0.00 0.00 -1.72 0.00 0.00 55.73 55.43 3i9d s ARG 92 Cb -0.17 -2.98 0.06 0.00 -0.45 0.00 0.00 34.95 31.41 3i9d s ARG 92 CO -0.08 0.33 -0.01 0.08 -0.68 0.00 0.00 175.30 174.94 3i9d s VAL 93 N -1.43 2.76 -0.29 3.52 1.01 -1.26 -4.92 120.40 119.79 3i9d s VAL 93 Ca 0.47 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3i9d s VAL 93 Cb -0.23 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.58 3i9d s VAL 93 CO 0.28 -0.15 -0.04 -0.31 0.00 0.00 0.00 175.10 174.88 3i9d s TYR 94 N 1.19 3.31 -0.13 5.22 2.02 -1.26 -2.23 117.35 125.47 3i9d s TYR 94 Ca -0.04 -2.18 -0.03 0.00 -0.37 0.00 0.00 57.07 54.44 3i9d s TYR 94 Cb -0.20 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 3i9d s TYR 94 CO -0.03 -0.86 -0.02 0.14 -1.57 0.00 0.00 175.55 173.22 3i9d s VAL 95 N 1.15 4.06 0.77 0.71 -7.23 -0.95 -4.99 120.40 113.92 3i9d s VAL 95 Ca -0.05 -0.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.69 3i9d s VAL 95 Cb -0.20 -2.75 0.05 0.00 0.56 0.00 0.00 36.38 34.04 3i9d s VAL 95 CO -0.03 0.53 1.09 -0.83 -0.31 0.00 0.00 175.10 175.54 3i9d s GLY 96 N -0.05 1.64 0.14 2.32 0.00 -1.26 -1.98 107.32 108.13 3i9d s GLY 96 Ca 0.02 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 3i9d s GLY 96 CO 0.02 0.27 1.59 -0.24 0.00 0.00 0.00 173.10 174.75 3i9d h VAL 97 N -0.97 0.19 -0.32 1.40 3.04 -1.89 0.35 116.25 118.05 3i9d h VAL 97 Ca -0.46 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.32 3i9d h VAL 97 Cb 1.25 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 3i9d h VAL 97 CO 0.58 0.00 0.44 0.11 -1.01 0.00 0.00 177.57 177.70 3i9d h LYS 98 N -0.44 0.00 -3.56 4.17 1.57 -1.93 -3.18 116.57 113.21 3i9d h LYS 98 Ca 0.09 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.12 3i9d h LYS 98 Cb 0.60 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.60 3i9d h LYS 98 CO -0.40 0.00 0.05 -1.21 -0.57 0.00 0.00 179.45 177.32 3i9d s GLU 99 N -4.47 3.48 -0.03 3.15 2.02 0.11 -5.02 118.70 117.93 3i9d s GLU 99 Ca -0.04 -2.93 -0.02 0.00 0.02 0.00 0.00 54.97 52.01 3i9d s GLU 99 Cb 0.14 -4.19 0.02 0.00 0.10 0.00 0.00 34.13 30.19 3i9d s GLU 99 CO 0.47 -1.25 0.08 0.42 0.02 0.00 0.00 175.26 175.00 3i9d s ILE 100 N -0.72 -0.04 0.97 -1.63 1.01 -1.20 -4.03 121.20 115.56 3i9d s ILE 100 Ca 0.24 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 3i9d s ILE 100 Cb -0.11 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.25 3i9d s ILE 100 CO -0.09 0.05 0.24 -2.65 0.00 0.00 0.00 174.94 172.50 3i9d n PRO 101 N 3.81 -0.41 -2.84 2.79 -0.02 -1.26 -4.99 135.00 132.09 3i9d n PRO 101 Ca -0.22 -0.08 -0.17 0.00 -2.02 0.00 0.00 63.50 61.00 3i9d n PRO 101 Cb 0.54 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3i9d n PRO 101 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3i9d n ARG 102 N -1.34 1.76 -0.77 -0.52 1.85 -1.26 -4.98 116.66 111.39 3i9d n ARG 102 Ca 0.05 -3.72 -0.30 0.00 -1.00 0.00 0.00 57.85 52.88 3i9d n ARG 102 Cb 0.55 -1.69 -0.04 0.00 -1.05 0.00 0.00 32.46 30.22 3i9d n ARG 102 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i9d n VAL 103 N -0.05 0.00 -4.43 8.89 0.31 -1.26 -0.64 118.33 121.16 3i9d n VAL 103 Ca 0.22 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.18 3i9d n VAL 103 Cb 0.68 -0.11 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 3i9d n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9d n ARG 104 N 1.28 -0.99 -3.04 5.55 0.63 -1.26 -1.72 116.66 117.11 3i9d n ARG 104 Ca 0.12 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.05 3i9d n ARG 104 Cb 0.01 -4.29 0.01 0.00 0.45 0.00 0.00 32.46 28.64 3i9d n ARG 104 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i9d n ARG 105 N -4.29 -2.22 0.00 -0.14 5.12 0.19 -3.08 116.66 112.24 3i9d n ARG 105 Ca -0.07 1.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.75 3i9d n ARG 105 Cb 0.56 -4.02 0.00 0.00 -1.16 0.00 0.00 32.46 27.84 3i9d n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9d n GLY 106 N 0.17 0.13 0.33 -0.13 0.00 -0.98 -4.63 105.19 100.09 3i9d n GLY 106 Ca 0.02 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.29 3i9d n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9d h LEU 107 N 0.00 0.21-10.40 0.99 3.38 -1.51 -3.43 115.31 104.54 3i9d h LEU 107 Ca 0.00 0.24 -0.43 0.00 0.09 0.00 0.00 57.88 57.78 3i9d h LEU 107 Cb 0.00 0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3i9d h LEU 107 CO 0.00 -0.30 -0.27 -0.83 0.09 0.00 0.00 178.44 177.13 3i9d s GLY 108 N -4.32 1.83 0.05 0.83 0.00 -0.70 -5.03 107.32 99.98 3i9d s GLY 108 Ca -0.10 -1.57 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 3i9d s GLY 108 CO 0.78 -1.42 0.23 -1.50 0.00 0.00 0.00 173.10 171.19 3i9d s ILE 109 N -2.32 5.36 -0.58 0.90 2.07 -0.96 -4.48 121.20 121.19 3i9d s ILE 109 Ca 0.52 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.58 3i9d s ILE 109 Cb -0.10 -3.60 0.20 0.00 0.13 0.00 0.00 42.46 39.08 3i9d s ILE 109 CO 0.33 0.19 0.51 0.00 -1.91 0.00 0.00 174.94 174.06 3i9d n ALA 110 N 0.48 3.30 -1.48 1.50 0.00 -1.26 -0.68 120.51 122.36 3i9d n ALA 110 Ca -0.07 -4.09 -0.42 0.00 0.00 0.00 0.00 53.44 48.86 3i9d n ALA 110 Cb 0.52 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.06 3i9d n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i9d n ILE 111 N 1.89 1.92 -3.28 0.00 5.41 -0.99 -3.38 119.36 120.92 3i9d n ILE 111 Ca 0.25 -0.50 0.03 0.00 1.00 0.00 0.00 62.75 63.53 3i9d n ILE 111 Cb 0.42 -0.64 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 3i9d n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3i9d s LEU 112 N 1.34 -0.63 0.28 1.39 0.05 -1.03 -2.20 118.68 117.87 3i9d s LEU 112 Ca 0.63 0.62 -0.30 0.00 0.05 0.00 0.00 54.13 55.14 3i9d s LEU 112 Cb -0.61 1.62 -0.10 0.00 -2.05 0.00 0.00 46.19 45.05 3i9d s LEU 112 CO 0.58 -0.12 1.43 -0.55 -0.55 0.00 0.00 176.35 177.14 3i9d s SER 113 N 2.68 6.62 0.34 1.48 0.15 -0.90 -3.39 113.70 120.67 3i9d s SER 113 Ca 0.01 2.73 0.06 0.00 0.70 0.00 0.00 55.95 59.45 3i9d s SER 113 Cb -0.09 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 3i9d s SER 113 CO -0.16 -0.71 0.31 0.42 1.20 0.00 0.00 173.24 174.31 3i9d s THR 114 N -0.31 0.00 0.26 6.45 -4.23 0.05 -1.66 115.64 116.20 3i9d s THR 114 Ca 0.57 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3i9d s THR 114 Cb -0.42 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.12 3i9d s THR 114 CO 0.47 0.00 1.78 0.28 -0.54 0.00 0.00 174.62 176.61 3i9d h SER 115 N 2.11 0.57 -0.49 3.99 0.02 -1.96 0.60 113.55 118.39 3i9d h SER 115 Ca -0.25 0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.61 3i9d h SER 115 Cb 1.23 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 3i9d h SER 115 CO 0.36 0.27 0.21 0.29 -1.14 0.00 0.00 176.83 176.83 3i9d n LYS 116 N -4.83 2.54 0.00 3.45 4.76 -1.26 -5.04 118.16 117.78 3i9d n LYS 116 Ca 0.16 -1.89 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 3i9d n LYS 116 Cb 0.39 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 3i9d n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9d n GLY 117 N -0.09 -1.81 3.70 0.72 0.00 0.20 -4.91 105.19 102.99 3i9d n GLY 117 Ca 0.28 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3i9d n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9d s VAL 118 N 0.00 4.91 0.00 1.61 1.01 -1.26 -0.77 120.40 125.90 3i9d s VAL 118 Ca 0.00 1.74 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 3i9d s VAL 118 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3i9d s VAL 118 CO 0.00 0.12 0.16 -0.76 0.00 0.00 0.00 175.10 174.62 3i9d s LEU 119 N 1.48 1.46 1.23 3.92 1.43 -1.22 -4.97 118.68 122.01 3i9d s LEU 119 Ca 0.43 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 3i9d s LEU 119 Cb -0.18 0.76 0.30 0.00 0.03 0.00 0.00 46.19 47.10 3i9d s LEU 119 CO 0.18 -0.39 1.10 0.42 0.23 0.00 0.00 176.35 177.89 3i9d s THR 120 N -1.43 1.55 0.13 5.49 -4.23 -1.26 -2.48 115.64 113.42 3i9d s THR 120 Ca -0.14 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.15 3i9d s THR 120 Cb -0.07 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3i9d s THR 120 CO 0.02 0.00 1.67 -2.24 -0.54 0.00 0.00 174.62 173.53 3i9d h ASP 121 N -2.68 -0.44 0.00 3.99 2.03 -1.92 -1.02 116.42 116.38 3i9d h ASP 121 Ca -0.44 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3i9d h ASP 121 Cb 1.29 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 40.01 3i9d h ASP 121 CO 0.32 -0.18 0.00 0.54 -1.03 0.00 0.00 179.24 178.89 3i9d n ARG 122 N -5.29 0.00 -0.15 4.15 1.74 -1.26 -1.83 116.66 114.02 3i9d n ARG 122 Ca -0.03 0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 3i9d n ARG 122 Cb 0.21 -0.88 0.05 0.00 -1.02 0.00 0.00 32.46 30.82 3i9d n ARG 122 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i9d n GLU 123 N -0.45 -0.05 -0.04 5.56 1.02 -1.23 0.22 120.64 125.67 3i9d n GLU 123 Ca 0.00 0.65 -0.09 0.00 -0.02 0.00 0.00 57.16 57.70 3i9d n GLU 123 Cb 0.00 -0.97 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3i9d n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9d h ALA 124 N 0.79 0.22 -0.47 0.62 0.00 -1.17 -0.32 119.26 118.92 3i9d h ALA 124 Ca 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3i9d h ALA 124 Cb 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i9d h ALA 124 CO -0.43 -0.38 0.16 -0.09 0.00 0.00 0.00 179.25 178.51 3i9d h ARG 125 N 0.13 0.73 0.14 0.00 2.43 0.34 -0.84 114.38 117.32 3i9d h ARG 125 Ca 0.09 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3i9d h ARG 125 Cb 0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3i9d h ARG 125 CO -0.12 0.68 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.55 3i9d h LYS 126 N 0.63 -0.41 0.00 0.20 3.64 -0.54 -1.07 116.57 119.01 3i9d h LYS 126 Ca 0.15 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3i9d h LYS 126 Cb 0.25 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i9d h LYS 126 CO -0.01 -0.27 0.00 1.28 -2.27 0.00 0.00 179.45 178.18 3i9d n LEU 127 N -3.88 0.36 -2.51 5.20 7.99 -0.17 -4.92 117.00 119.07 3i9d n LEU 127 Ca -0.05 0.66 -0.03 0.00 -0.01 0.00 0.00 56.01 56.59 3i9d n LEU 127 Cb 0.21 -0.70 -0.02 0.00 -0.11 0.00 0.00 43.42 42.80 3i9d n LEU 127 CO 0.10 -0.77 -0.51 0.61 -1.51 0.00 0.00 177.39 175.31 3i9d n GLY 128 N -1.29 -4.58 0.22 -0.72 0.00 -0.33 -5.04 105.19 93.45 3i9d n GLY 128 Ca -0.01 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.97 3i9d n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9d n VAL 129 N 1.05 0.00 0.00 1.61 0.24 -1.16 -5.03 118.33 115.04 3i9d n VAL 129 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3i9d n VAL 129 Cb 0.29 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3i9d n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9d n GLY 130 N -1.03 -0.83 0.00 7.63 0.00 -1.26 -3.12 105.19 106.58 3i9d n GLY 130 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3i9d n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 131 N -0.94 -0.61 3.55 -0.02 0.00 -0.84 -4.55 105.19 101.77 3i9d n GLY 131 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3i9d n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i9d s GLU 132 N -1.47 2.93 -0.25 1.61 2.12 -0.67 -2.24 118.70 120.73 3i9d s GLU 132 Ca 0.00 0.08 -0.28 0.00 0.36 0.00 0.00 54.97 55.13 3i9d s GLU 132 Cb 0.00 -4.38 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 3i9d s GLU 132 CO 0.00 -2.47 2.25 -0.11 -0.54 0.00 0.00 175.26 174.39 3i9d n LEU 133 N 11.05 3.13 0.00 2.70 0.00 -0.95 -2.11 117.00 130.83 3i9d n LEU 133 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.27 3i9d n LEU 133 Cb 0.50 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.37 3i9d n LEU 133 CO 0.70 -0.80 0.33 -0.38 0.00 0.00 0.00 177.39 177.25 3i9d n ILE 134 N 7.79 0.00 -3.66 1.96 2.08 -0.93 -2.03 119.36 124.56 3i9d n ILE 134 Ca 0.31 1.15 -0.07 0.00 0.56 0.00 0.00 62.75 64.70 3i9d n ILE 134 Cb 0.45 -2.12 0.01 0.00 -0.75 0.00 0.00 39.64 37.23 3i9d n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9d s GLU 136 N -2.22 0.89 0.02 0.00 -1.05 -0.80 -2.36 118.70 113.17 3i9d s GLU 136 Ca 0.14 -0.55 0.01 0.00 -0.15 0.00 0.00 54.97 54.42 3i9d s GLU 136 Cb -0.03 -0.86 -0.01 0.00 -0.44 0.00 0.00 34.13 32.79 3i9d s GLU 136 CO 0.10 0.23 -0.04 0.08 0.95 0.00 0.00 175.26 176.57 3i9d s VAL 137 N -0.54 0.29 0.00 1.83 1.01 0.14 -2.30 120.40 120.84 3i9d s VAL 137 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3i9d s VAL 137 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.99 3i9d s VAL 137 CO 0.00 -0.20 0.00 -2.67 0.00 0.00 0.00 175.10 172.23