#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s LEU 2 N 0.00 4.08 0.10 -0.89 1.43 -1.26 -4.91 118.68 117.23 1ibl s LEU 2 Ca 0.00 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.55 1ibl s LEU 2 Cb 0.00 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 1ibl s LEU 2 CO 0.00 -0.92 1.48 0.00 0.23 0.00 0.00 176.35 177.14 1ibl h THR 3 N 5.70 1.29 -2.14 5.49 1.03 -2.06 -3.41 112.91 118.80 1ibl h THR 3 Ca -0.29 -1.19 -0.41 0.00 -0.01 0.00 0.00 66.41 64.52 1ibl h THR 3 Cb 1.12 1.42 -0.33 0.00 -1.07 0.00 0.00 68.15 69.28 1ibl h THR 3 CO 0.99 0.38 -0.71 -0.62 -0.01 0.00 0.00 175.52 175.55 1ibl s ASP 4 N -6.27 1.70 0.25 0.00 -1.08 -1.26 -4.95 116.67 105.06 1ibl s ASP 4 Ca -0.13 -1.53 -0.03 0.00 -0.52 0.00 0.00 52.55 50.34 1ibl s ASP 4 Cb 0.08 0.33 0.49 0.00 -1.46 0.00 0.00 42.92 42.37 1ibl s ASP 4 CO 0.79 -0.30 1.73 -0.65 0.52 0.00 0.00 175.17 177.26 1ibl h PRO 5 N 7.33 0.46 -0.23 4.34 0.11 -1.99 0.12 132.00 142.14 1ibl h PRO 5 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1ibl h PRO 5 Cb 1.04 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ibl h PRO 5 CO 0.25 0.30 0.12 0.82 -0.21 0.00 0.00 178.00 179.28 1ibl h ILE 6 N 0.47 1.13 -0.30 4.15 1.08 -1.99 0.66 117.51 122.71 1ibl h ILE 6 Ca 0.43 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 1ibl h ILE 6 Cb 0.67 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1ibl h ILE 6 CO -0.41 0.13 0.17 0.00 -0.69 0.00 0.00 178.15 177.35 1ibl h ALA 7 N 0.99 0.37 -0.29 1.87 0.00 -1.84 0.30 119.26 120.67 1ibl h ALA 7 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ibl h ALA 7 Cb 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1ibl h ALA 7 CO -0.01 -0.20 -0.49 0.22 0.00 0.00 0.00 179.25 178.77 1ibl h ASP 8 N 0.35 -1.60 0.01 0.00 3.58 0.15 0.85 116.42 119.75 1ibl h ASP 8 Ca 0.12 0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.80 1ibl h ASP 8 Cb 0.01 0.65 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1ibl h ASP 8 CO -0.06 -0.37 -0.43 -0.03 -2.88 0.00 0.00 179.24 175.46 1ibl h MET 9 N -0.39 -0.57 -1.18 0.28 4.05 -0.50 0.22 114.93 116.83 1ibl h MET 9 Ca 0.05 0.04 0.36 0.00 -0.28 0.00 0.00 59.70 59.87 1ibl h MET 9 Cb 0.54 0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 31.36 1ibl h MET 9 CO -0.48 -0.38 0.76 -0.07 0.23 0.00 0.00 176.91 176.96 1ibl h LEU 10 N -0.59 0.34 -0.00 3.39 3.38 -0.28 0.18 115.31 121.73 1ibl h LEU 10 Ca 0.04 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1ibl h LEU 10 Cb 0.67 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ibl h LEU 10 CO -0.32 -0.07 -0.18 0.74 0.09 0.00 0.00 178.44 178.71 1ibl h THR 11 N 0.22 1.57 -0.63 0.22 2.02 0.17 -0.36 112.91 116.13 1ibl h THR 11 Ca 0.72 -1.91 0.13 0.00 0.77 0.00 0.00 66.41 66.11 1ibl h THR 11 Cb 2.07 2.79 -0.10 0.00 -1.74 0.00 0.00 68.15 71.17 1ibl h THR 11 CO -0.37 0.52 0.06 0.03 0.37 0.00 0.00 175.52 176.12 1ibl h ARG 12 N -0.58 0.17 0.04 6.66 3.08 0.20 0.35 114.38 124.29 1ibl h ARG 12 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ibl h ARG 12 Cb 0.94 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1ibl h ARG 12 CO 0.04 0.11 -0.03 0.82 -1.07 0.00 0.00 179.97 179.83 1ibl h ILE 13 N 0.17 0.92 0.01 2.04 2.04 -0.80 -1.43 117.51 120.46 1ibl h ILE 13 Ca 0.33 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.20 1ibl h ILE 13 Cb 0.54 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1ibl h ILE 13 CO -0.50 0.00 -0.30 -0.09 0.00 0.00 0.00 178.15 177.27 1ibl h ARG 14 N -0.08 -0.37 0.00 2.37 2.43 0.99 -2.44 114.38 117.28 1ibl h ARG 14 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ibl h ARG 14 Cb 0.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ibl h ARG 14 CO -0.01 -0.25 0.00 0.09 -1.51 0.00 0.00 179.97 178.29 1ibl n ASN 15 N -4.14 0.00 -0.29 -3.80 3.02 0.96 -2.24 115.26 108.77 1ibl n ASN 15 Ca -0.04 0.98 0.21 0.00 -0.03 0.00 0.00 54.58 55.70 1ibl n ASN 15 Cb 0.22 -0.48 0.39 0.00 -0.61 0.00 0.00 39.78 39.30 1ibl n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibl n ALA 16 N -2.60 0.68 0.20 5.41 0.00 -0.55 0.97 120.51 124.62 1ibl n ALA 16 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 53.44 54.41 1ibl n ALA 16 Cb 0.00 -0.79 0.38 0.00 0.00 0.00 0.00 19.45 19.04 1ibl n ALA 16 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ibl h THR 17 N 0.00 0.88 0.00 0.00 1.35 -0.97 -1.04 112.91 113.14 1ibl h THR 17 Ca 0.64 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1ibl h THR 17 Cb 1.54 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1ibl h THR 17 CO -0.75 0.34 0.00 0.03 -0.25 0.00 0.00 175.52 174.89 1ibl h ARG 18 N 0.00 0.00 -0.13 4.72 -0.00 0.81 -1.04 114.38 118.74 1ibl h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ibl h ARG 18 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.78 1ibl h ARG 18 CO 0.04 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.34 1ibl n VAL 19 N -2.90 0.89 -3.39 2.04 0.24 -0.98 -5.01 118.33 109.22 1ibl n VAL 19 Ca -0.00 -0.94 -0.23 0.00 -2.04 0.00 0.00 64.34 61.13 1ibl n VAL 19 Cb 0.21 0.57 0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1ibl n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ibl n TYR 20 N -0.04 -2.53 -0.85 6.34 4.01 -0.40 -4.98 117.16 118.73 1ibl n TYR 20 Ca 0.05 0.84 -0.31 0.00 -0.16 0.00 0.00 57.90 58.32 1ibl n TYR 20 Cb 0.30 -4.75 0.15 0.00 -0.31 0.00 0.00 39.34 34.74 1ibl n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1ibl s LYS 21 N -6.09 1.16 -0.18 -0.72 -0.14 -0.49 -4.96 119.74 108.32 1ibl s LYS 21 Ca 0.49 1.36 -0.23 0.00 -1.36 0.00 0.00 55.97 56.23 1ibl s LYS 21 Cb -0.21 -1.76 -0.20 0.00 -1.68 0.00 0.00 37.83 33.98 1ibl s LYS 21 CO 0.60 -2.47 0.37 1.49 -0.76 0.00 0.00 175.35 174.58 1ibl h GLU 22 N -1.74 0.00 0.00 1.68 4.81 -1.92 -3.44 114.58 113.97 1ibl h GLU 22 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ibl h GLU 22 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ibl h GLU 22 CO 0.45 0.93 0.00 -1.13 -0.73 0.00 0.00 179.01 178.53 1ibl n SER 23 N -4.51 1.57 0.00 1.04 3.41 -1.26 -1.46 113.62 112.41 1ibl n SER 23 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1ibl n SER 23 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1ibl n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ibl n THR 24 N 0.00 0.00 -3.96 6.66 5.66 -0.98 -4.79 114.28 116.86 1ibl n THR 24 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1ibl n THR 24 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1ibl n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ibl s ASP 25 N 0.00 6.19 -0.08 1.09 1.11 -1.26 -0.20 116.67 123.52 1ibl s ASP 25 Ca 0.00 0.14 -0.07 0.00 0.18 0.00 0.00 52.55 52.80 1ibl s ASP 25 Cb 0.00 -1.84 0.02 0.00 1.07 0.00 0.00 42.92 42.17 1ibl s ASP 25 CO 0.00 0.08 0.21 0.68 1.18 0.00 0.00 175.17 177.32 1ibl s VAL 26 N -1.68 0.00 0.27 -1.27 -7.23 -1.22 -4.93 120.40 104.34 1ibl s VAL 26 Ca 0.34 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.20 1ibl s VAL 26 Cb -0.11 -0.30 -0.13 0.00 0.56 0.00 0.00 36.38 36.41 1ibl s VAL 26 CO 0.27 -0.00 1.47 -2.65 -0.31 0.00 0.00 175.10 173.88 1ibl n PRO 27 N 2.96 2.31 -2.40 4.82 -0.02 -1.26 -1.21 135.00 140.20 1ibl n PRO 27 Ca -0.13 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1ibl n PRO 27 Cb 0.59 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1ibl n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ibl s ALA 28 N -0.13 2.94 -0.29 3.55 0.00 -0.44 -4.79 121.76 122.59 1ibl s ALA 28 Ca 0.65 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 1ibl s ALA 28 Cb -0.58 -3.18 0.18 0.00 0.00 0.00 0.00 23.12 19.54 1ibl s ALA 28 CO 0.50 -0.34 1.28 -1.54 0.00 0.00 0.00 175.76 175.66 1ibl s SER 29 N -2.64 -0.17 0.00 0.00 1.04 -1.26 -4.97 113.70 105.70 1ibl s SER 29 Ca 0.62 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1ibl s SER 29 Cb -0.13 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ibl s SER 29 CO 0.27 -0.05 0.66 0.54 0.98 0.00 0.00 173.24 175.64 1ibl n ARG 30 N 2.30 0.00 -0.32 4.02 5.12 -1.26 -0.05 116.66 126.47 1ibl n ARG 30 Ca -0.13 0.66 0.10 0.00 -1.93 0.00 0.00 57.85 56.55 1ibl n ARG 30 Cb 0.57 -1.01 0.22 0.00 -1.16 0.00 0.00 32.46 31.08 1ibl n ARG 30 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1ibl h PHE 31 N 0.00 -0.11 -0.40 -1.55 3.57 -1.98 1.11 116.94 117.58 1ibl h PHE 31 Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ibl h PHE 31 Cb 0.00 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1ibl h PHE 31 CO -0.58 -0.36 0.24 0.87 -2.23 0.00 0.00 178.31 176.24 1ibl h LYS 32 N 0.04 0.55 -0.13 1.11 1.57 -0.86 -2.19 116.57 116.67 1ibl h LYS 32 Ca 0.52 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.28 1ibl h LYS 32 Cb 0.99 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1ibl h LYS 32 CO -0.85 0.42 -0.07 1.49 -0.57 0.00 0.00 179.45 179.87 1ibl h GLU 33 N 0.53 -0.06 -0.98 3.15 4.81 0.41 -1.69 114.58 120.75 1ibl h GLU 33 Ca 0.14 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.58 1ibl h GLU 33 Cb 0.02 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 1ibl h GLU 33 CO -0.03 -0.04 0.62 0.93 -0.73 0.00 0.00 179.01 179.76 1ibl h GLU 34 N -0.06 0.60 -0.11 1.92 4.39 0.13 -0.70 114.58 120.76 1ibl h GLU 34 Ca 0.07 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1ibl h GLU 34 Cb 0.16 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ibl h GLU 34 CO -0.16 0.40 -0.40 0.82 -1.16 0.00 0.00 179.01 178.50 1ibl h ILE 35 N 0.62 1.38 -0.87 3.13 2.04 -0.76 -2.91 117.51 120.14 1ibl h ILE 35 Ca 0.55 -1.73 0.18 0.00 1.00 0.00 0.00 64.86 64.86 1ibl h ILE 35 Cb 1.05 2.17 -0.11 0.00 -0.74 0.00 0.00 36.82 39.19 1ibl h ILE 35 CO -0.31 0.51 0.41 -0.07 0.00 0.00 0.00 178.15 178.70 1ibl h LEU 36 N 0.04 0.42 -0.49 1.44 3.38 -0.30 0.12 115.31 119.92 1ibl h LEU 36 Ca -0.02 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1ibl h LEU 36 Cb 1.03 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1ibl h LEU 36 CO 0.08 0.11 -0.42 0.03 0.09 0.00 0.00 178.44 178.34 1ibl h ARG 37 N 0.51 -0.26 -0.05 1.13 3.08 -1.04 0.63 114.38 118.38 1ibl h ARG 37 Ca 0.51 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.57 1ibl h ARG 37 Cb 0.85 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1ibl h ARG 37 CO -0.44 -0.17 0.02 0.82 -1.07 0.00 0.00 179.97 179.12 1ibl h ILE 38 N -0.27 1.17 -0.96 2.04 5.03 -1.11 0.12 117.51 123.53 1ibl h ILE 38 Ca 0.16 -0.50 0.30 0.00 -0.12 0.00 0.00 64.86 64.70 1ibl h ILE 38 Cb 0.57 1.42 -0.15 0.00 -3.03 0.00 0.00 36.82 35.63 1ibl h ILE 38 CO -0.62 0.14 0.42 0.25 -0.68 0.00 0.00 178.15 177.66 1ibl h LEU 39 N -0.12 0.27 0.03 1.44 5.85 0.71 0.38 115.31 123.87 1ibl h LEU 39 Ca 0.02 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ibl h LEU 39 Cb 0.21 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ibl h LEU 39 CO -0.00 -0.18 -0.02 0.00 -0.34 0.00 0.00 178.44 177.90 1ibl h ALA 40 N 1.85 -0.05 -1.05 1.25 0.00 0.60 -0.49 119.26 121.38 1ibl h ALA 40 Ca 0.68 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.67 1ibl h ALA 40 Cb 1.51 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.19 1ibl h ALA 40 CO -0.66 -0.05 0.64 -0.09 0.00 0.00 0.00 179.25 179.09 1ibl h ARG 41 N -0.99 0.39 0.00 0.00 2.43 0.11 1.21 114.38 117.52 1ibl h ARG 41 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ibl h ARG 41 Cb 0.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1ibl h ARG 41 CO 0.01 0.26 0.00 0.39 -1.51 0.00 0.00 179.97 179.11 1ibl n GLU 42 N -4.82 0.16 -1.90 0.20 -0.58 0.12 -4.93 120.64 108.89 1ibl n GLU 42 Ca 0.29 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 1ibl n GLU 42 Cb 0.93 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1ibl n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ibl n GLY 43 N 0.88 0.85 0.01 0.62 0.00 0.42 -4.99 105.19 102.96 1ibl n GLY 43 Ca 0.05 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1ibl n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ibl n PHE 44 N -1.71 0.00 -4.10 1.61 3.72 -0.20 -4.98 117.46 111.80 1ibl n PHE 44 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1ibl n PHE 44 Cb 0.40 -0.27 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 1ibl n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ibl s ILE 45 N -2.88 0.70 -0.44 4.37 -4.36 -1.22 -4.25 121.20 113.11 1ibl s ILE 45 Ca -0.03 -1.27 0.19 0.00 -0.26 0.00 0.00 60.65 59.28 1ibl s ILE 45 Cb 0.09 -0.88 0.19 0.00 1.25 0.00 0.00 42.46 43.12 1ibl s ILE 45 CO 0.59 -0.42 1.58 0.29 0.24 0.00 0.00 174.94 177.22 1ibl n LYS 46 N 1.18 0.13 0.00 0.37 5.02 0.21 -4.72 118.16 120.35 1ibl n LYS 46 Ca -0.21 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1ibl n LYS 46 Cb 0.55 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1ibl n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibl n GLY 47 N -0.82 0.59 3.60 0.72 0.00 -1.15 -4.95 105.19 103.18 1ibl n GLY 47 Ca 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 1ibl n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibl s TYR 48 N -0.88 -0.09 0.03 1.61 -0.85 -1.26 0.86 117.35 116.78 1ibl s TYR 48 Ca 0.00 -0.28 -0.18 0.00 -0.52 0.00 0.00 57.07 56.09 1ibl s TYR 48 Cb 0.00 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.82 1ibl s TYR 48 CO 0.00 -0.99 0.41 -1.83 -1.52 0.00 0.00 175.55 171.62 1ibl s GLU 49 N -3.90 0.89 0.36 -3.49 -1.05 -0.78 -4.99 118.70 105.74 1ibl s GLU 49 Ca 0.11 -0.32 -0.26 0.00 -0.15 0.00 0.00 54.97 54.35 1ibl s GLU 49 Cb -0.02 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1ibl s GLU 49 CO 0.00 -0.30 1.07 1.03 0.95 0.00 0.00 175.26 178.01 1ibl s ARG 50 N -2.30 4.33 -0.18 -4.83 0.52 -1.26 -1.05 118.95 114.18 1ibl s ARG 50 Ca -0.06 1.61 -0.13 0.00 -0.52 0.00 0.00 55.73 56.62 1ibl s ARG 50 Cb -0.01 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.75 1ibl s ARG 50 CO -0.01 -0.02 0.47 0.08 0.02 0.00 0.00 175.30 175.84 1ibl s VAL 51 N -1.48 -0.01 -0.18 3.52 1.01 -1.07 -4.84 120.40 117.35 1ibl s VAL 51 Ca 0.53 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1ibl s VAL 51 Cb -0.25 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1ibl s VAL 51 CO 0.32 0.02 0.48 -1.81 0.00 0.00 0.00 175.10 174.11 1ibl s ASP 52 N 0.85 6.56 -0.14 3.32 1.11 -1.26 -0.25 116.67 126.86 1ibl s ASP 52 Ca -0.05 0.67 0.02 0.00 0.18 0.00 0.00 52.55 53.37 1ibl s ASP 52 Cb -0.06 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.67 1ibl s ASP 52 CO -0.07 -0.11 -0.20 -0.69 1.18 0.00 0.00 175.17 175.28 1ibl s VAL 53 N 1.30 2.21 -1.21 -1.27 1.01 0.08 -4.65 120.40 117.87 1ibl s VAL 53 Ca 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1ibl s VAL 53 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1ibl s VAL 53 CO 0.09 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 175.06 1ibl n ASP 54 N 4.08 -3.89 0.00 3.32 2.03 -1.26 -0.59 116.55 120.24 1ibl n ASP 54 Ca -0.20 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1ibl n ASP 54 Cb 0.52 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 1ibl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ibl n GLY 55 N -0.64 2.43 3.59 0.27 0.00 -1.26 -5.06 105.19 104.51 1ibl n GLY 55 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1ibl n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibl s LYS 56 N -0.90 2.71 -0.29 1.61 3.01 0.24 -5.05 119.74 121.07 1ibl s LYS 56 Ca 0.00 -0.58 -0.27 0.00 -1.01 0.00 0.00 55.97 54.11 1ibl s LYS 56 Cb 0.00 -2.58 -0.05 0.00 -1.01 0.00 0.00 37.83 34.19 1ibl s LYS 56 CO 0.00 0.65 2.26 -1.25 0.51 0.00 0.00 175.35 177.53 1ibl s PRO 57 N -0.93 2.85 0.00 -1.68 0.04 -1.26 -0.74 135.00 133.28 1ibl s PRO 57 Ca 0.13 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ibl s PRO 57 Cb -0.11 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1ibl s PRO 57 CO 0.03 -2.42 0.00 0.66 0.04 0.00 0.00 177.00 175.30 1ibl n TYR 58 N 12.81 -1.26 -3.44 0.56 4.02 0.66 -1.33 117.16 129.18 1ibl n TYR 58 Ca 0.31 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 58.00 1ibl n TYR 58 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.69 1ibl n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ibl s LEU 59 N 0.00 0.04 0.26 7.72 1.43 -0.35 -2.58 118.68 125.19 1ibl s LEU 59 Ca 0.00 -1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 51.75 1ibl s LEU 59 Cb 0.00 0.25 -0.12 0.00 0.03 0.00 0.00 46.19 46.35 1ibl s LEU 59 CO 0.00 -0.39 1.60 0.54 0.23 0.00 0.00 176.35 178.33 1ibl n ARG 60 N 5.14 2.61 -4.21 1.70 5.12 -0.21 -3.42 116.66 123.38 1ibl n ARG 60 Ca -0.01 0.93 -0.33 0.00 -1.93 0.00 0.00 57.85 56.51 1ibl n ARG 60 Cb 0.45 -2.71 -0.16 0.00 -1.16 0.00 0.00 32.46 28.87 1ibl n ARG 60 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ibl s VAL 61 N 0.29 2.21 -0.32 1.55 1.01 0.72 -1.87 120.40 123.99 1ibl s VAL 61 Ca 0.68 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1ibl s VAL 61 Cb -0.53 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1ibl s VAL 61 CO 0.45 0.53 0.47 -0.31 0.00 0.00 0.00 175.10 176.24 1ibl s TYR 62 N 1.20 3.21 0.49 5.22 2.02 0.25 -2.32 117.35 127.42 1ibl s TYR 62 Ca 0.03 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.88 1ibl s TYR 62 Cb -0.14 -2.81 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1ibl s TYR 62 CO -0.10 -0.44 0.88 -0.51 -1.57 0.00 0.00 175.55 173.81 1ibl s LEU 63 N 2.28 3.60 -0.03 -1.29 2.01 -0.53 0.65 118.68 125.37 1ibl s LEU 63 Ca 0.18 1.24 0.03 0.00 0.01 0.00 0.00 54.13 55.59 1ibl s LEU 63 Cb -0.16 -4.19 0.00 0.00 0.01 0.00 0.00 46.19 41.85 1ibl s LEU 63 CO 0.12 -0.59 -0.12 -0.75 1.01 0.00 0.00 176.35 176.02 1ibl s LYS 64 N -4.40 1.25 0.43 1.70 2.20 -1.26 -4.35 119.74 115.31 1ibl s LYS 64 Ca 0.53 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1ibl s LYS 64 Cb -0.10 -1.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.05 1ibl s LYS 64 CO 0.40 0.17 0.07 0.71 -0.36 0.00 0.00 175.35 176.33 1ibl s TYR 65 N 0.12 1.90 0.00 4.03 1.51 -1.26 -3.85 117.35 119.80 1ibl s TYR 65 Ca -0.03 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1ibl s TYR 65 Cb -0.09 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1ibl s TYR 65 CO 0.01 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1ibl n GLY 66 N -0.99 0.42 3.96 0.71 0.00 -0.81 -4.84 105.19 103.63 1ibl n GLY 66 Ca -0.09 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1ibl n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibl s PRO 67 N 0.83 3.42 0.51 1.61 0.04 -1.26 -4.68 135.00 135.46 1ibl s PRO 67 Ca 0.00 -0.56 -0.22 0.00 0.04 0.00 0.00 61.00 60.26 1ibl s PRO 67 Cb 0.00 -2.76 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 1ibl s PRO 67 CO 0.00 0.23 1.16 -2.13 0.04 0.00 0.00 177.00 176.30 1ibl n ARG 68 N -1.65 1.46 -4.33 4.56 0.63 -1.26 -4.09 116.66 111.98 1ibl n ARG 68 Ca -0.06 0.53 -0.24 0.00 -0.92 0.00 0.00 57.85 57.17 1ibl n ARG 68 Cb 0.57 -2.31 -0.08 0.00 0.45 0.00 0.00 32.46 31.08 1ibl n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1ibl s ARG 69 N -2.53 2.11 0.96 -0.14 0.52 -0.33 -4.94 118.95 114.60 1ibl s ARG 69 Ca 0.69 -1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 1ibl s ARG 69 Cb -0.46 -2.07 0.18 0.00 0.52 0.00 0.00 34.95 33.11 1ibl s ARG 69 CO 0.52 0.37 1.23 -0.65 0.02 0.00 0.00 175.30 176.79 1ibl s GLN 70 N -3.48 0.70 2.14 3.54 -1.52 -1.26 -4.34 119.66 115.44 1ibl s GLN 70 Ca 0.30 -0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 1ibl s GLN 70 Cb -0.07 -1.83 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 1ibl s GLN 70 CO 0.18 -2.41 0.00 0.41 -0.25 0.00 0.00 175.29 173.21 1ibl n GLY 71 N -3.00 -0.70 3.90 3.09 0.00 -1.26 -4.70 105.19 102.51 1ibl n GLY 71 Ca 0.12 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1ibl n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibl s PRO 72 N 0.00 2.58 -0.57 1.61 0.04 -1.26 -4.39 135.00 133.00 1ibl s PRO 72 Ca 0.00 0.23 -0.16 0.00 0.04 0.00 0.00 61.00 61.12 1ibl s PRO 72 Cb 0.00 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1ibl s PRO 72 CO 0.00 -1.14 0.64 -3.47 0.04 0.00 0.00 177.00 173.07 1ibl n ASP 73 N -3.01 -6.78 0.00 6.66 4.64 -1.26 -4.84 116.55 111.96 1ibl n ASP 73 Ca 0.07 -0.03 0.08 0.00 -1.38 0.00 0.00 54.79 53.53 1ibl n ASP 73 Cb 0.58 -3.80 0.49 0.00 -1.04 0.00 0.00 41.12 37.36 1ibl n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1ibl n PRO 74 N -1.00 0.97 -1.69 -0.67 -0.04 -1.26 -4.82 135.00 126.49 1ibl n PRO 74 Ca -0.03 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.99 1ibl n PRO 74 Cb 0.57 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 1ibl n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ibl n ARG 75 N -0.77 2.50 -0.84 0.54 1.74 -1.26 -1.19 116.66 117.38 1ibl n ARG 75 Ca 0.12 0.90 -0.34 0.00 -0.77 0.00 0.00 57.85 57.77 1ibl n ARG 75 Cb 0.06 -2.72 0.11 0.00 -1.02 0.00 0.00 32.46 28.88 1ibl n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ibl n PRO 76 N 4.06 -0.41 -1.57 5.56 -0.02 -1.26 -4.62 135.00 136.74 1ibl n PRO 76 Ca 0.17 -0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 1ibl n PRO 76 Cb 0.32 -1.59 0.14 0.00 -0.02 0.00 0.00 33.50 32.36 1ibl n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ibl s GLU 77 N -3.14 1.03 -0.14 -0.52 2.12 -1.26 -4.80 118.70 111.99 1ibl s GLU 77 Ca 0.52 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 1ibl s GLU 77 Cb -0.17 -1.83 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 1ibl s GLU 77 CO 0.71 -2.25 -0.00 -0.65 -0.54 0.00 0.00 175.26 172.52 1ibl s GLN 78 N -5.36 3.58 0.03 4.30 -1.52 -1.26 -1.92 119.66 117.50 1ibl s GLN 78 Ca 0.65 -0.45 -0.23 0.00 -1.95 0.00 0.00 55.36 53.38 1ibl s GLN 78 Cb -0.13 -2.96 -0.15 0.00 -0.22 0.00 0.00 33.01 29.55 1ibl s GLN 78 CO 0.53 0.36 1.41 0.28 -0.25 0.00 0.00 175.29 177.62 1ibl h VAL 79 N 4.83 1.30 -2.48 1.09 2.07 -1.89 -3.31 116.25 117.86 1ibl h VAL 79 Ca -0.37 -0.96 -0.76 0.00 0.82 0.00 0.00 66.70 65.42 1ibl h VAL 79 Cb 1.18 1.75 -0.21 0.00 -1.52 0.00 0.00 31.29 32.50 1ibl h VAL 79 CO 0.63 0.27 1.17 -0.38 0.02 0.00 0.00 177.57 179.28 1ibl n ILE 80 N -4.77 4.43 -0.16 4.57 5.41 -1.26 -4.82 119.36 122.75 1ibl n ILE 80 Ca -0.07 -4.95 -0.07 0.00 1.00 0.00 0.00 62.75 58.67 1ibl n ILE 80 Cb 0.24 -2.46 0.02 0.00 -0.71 0.00 0.00 39.64 36.73 1ibl n ILE 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1ibl h HIS 81 N 6.69 0.61 -3.94 1.39 3.86 -1.40 -3.44 115.15 118.92 1ibl h HIS 81 Ca 0.28 0.01 -0.33 0.00 -1.16 0.00 0.00 60.37 59.18 1ibl h HIS 81 Cb 0.82 -0.20 -0.28 0.00 1.06 0.00 0.00 27.41 28.81 1ibl h HIS 81 CO 1.02 0.38 -0.76 -1.58 0.86 0.00 0.00 177.93 177.85 1ibl s HIS 82 N -6.15 0.56 -0.29 2.45 5.65 -0.78 -5.00 115.29 111.73 1ibl s HIS 82 Ca -0.13 -0.15 0.02 0.00 0.25 0.00 0.00 55.06 55.05 1ibl s HIS 82 Cb 0.12 -0.35 0.18 0.00 -1.18 0.00 0.00 32.58 31.34 1ibl s HIS 82 CO 0.74 -0.02 0.51 -1.50 -0.65 0.00 0.00 174.74 173.82 1ibl s ILE 83 N -0.29 -0.84 -0.02 0.89 2.07 -1.26 -0.63 121.20 121.11 1ibl s ILE 83 Ca 0.01 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1ibl s ILE 83 Cb -0.03 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ibl s ILE 83 CO -0.00 -0.10 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.24 1ibl s ARG 84 N 2.72 0.97 0.51 3.50 3.52 -1.21 -4.93 118.95 124.03 1ibl s ARG 84 Ca 0.13 -0.32 -0.22 0.00 -0.13 0.00 0.00 55.73 55.19 1ibl s ARG 84 Cb -0.12 -0.91 -0.06 0.00 -1.56 0.00 0.00 34.95 32.30 1ibl s ARG 84 CO -0.25 0.12 1.27 1.03 -0.81 0.00 0.00 175.30 176.66 1ibl s ARG 85 N 0.16 3.43 0.00 5.12 0.52 -1.26 -2.01 118.95 124.91 1ibl s ARG 85 Ca -0.03 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 1ibl s ARG 85 Cb -0.08 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1ibl s ARG 85 CO 0.00 -0.89 0.00 -0.89 0.02 0.00 0.00 175.30 173.55 1ibl n ILE 86 N -0.77 0.00 -1.92 1.52 5.41 -0.65 -4.88 119.36 118.06 1ibl n ILE 86 Ca 0.09 0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.48 1ibl n ILE 86 Cb 0.46 -0.64 0.04 0.00 -0.71 0.00 0.00 39.64 38.80 1ibl n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1ibl s SER 87 N 0.07 5.05 0.12 4.38 0.15 -1.07 -4.83 113.70 117.56 1ibl s SER 87 Ca 0.00 2.49 -0.17 0.00 0.70 0.00 0.00 55.95 58.97 1ibl s SER 87 Cb 0.00 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1ibl s SER 87 CO 0.00 -1.70 0.43 -0.54 1.20 0.00 0.00 173.24 172.63 1ibl s LYS 88 N -3.29 1.08 0.83 5.44 1.02 -0.64 -4.88 119.74 119.30 1ibl s LYS 88 Ca 0.78 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 1ibl s LYS 88 Cb -0.33 0.48 0.10 0.00 -0.52 0.00 0.00 37.83 37.56 1ibl s LYS 88 CO 0.36 -0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 174.30 1ibl s PRO 89 N -3.69 1.49 -1.34 -1.68 0.04 -1.26 -1.99 135.00 126.57 1ibl s PRO 89 Ca 0.02 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1ibl s PRO 89 Cb 0.01 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1ibl s PRO 89 CO -0.11 -2.31 0.86 0.41 0.04 0.00 0.00 177.00 175.89 1ibl n GLY 90 N 0.38 -0.37 0.00 0.56 0.00 -1.26 -4.70 105.19 99.80 1ibl n GLY 90 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ibl n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibl n ARG 91 N -4.41 0.00 -2.53 1.61 0.00 -0.92 -5.15 116.66 105.25 1ibl n ARG 91 Ca -0.19 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.29 1ibl n ARG 91 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.05 1ibl n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ibl s ARG 92 N 0.00 4.21 -0.14 -0.14 1.81 -0.84 -1.63 118.95 122.22 1ibl s ARG 92 Ca 0.00 1.55 0.01 0.00 -1.72 0.00 0.00 55.73 55.56 1ibl s ARG 92 Cb 0.00 -2.61 0.02 0.00 -0.45 0.00 0.00 34.95 31.91 1ibl s ARG 92 CO 0.00 -0.11 -0.15 0.08 -0.68 0.00 0.00 175.30 174.44 1ibl s VAL 93 N -1.60 1.63 0.15 3.52 1.01 -1.26 -4.85 120.40 118.99 1ibl s VAL 93 Ca 0.56 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1ibl s VAL 93 Cb -0.23 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1ibl s VAL 93 CO 0.29 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.30 1ibl s TYR 94 N 1.31 2.22 -0.04 5.22 1.51 -1.26 0.05 117.35 126.37 1ibl s TYR 94 Ca 0.02 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 1ibl s TYR 94 Cb -0.13 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1ibl s TYR 94 CO -0.08 0.37 0.32 0.14 -1.11 0.00 0.00 175.55 175.18 1ibl s VAL 95 N -1.30 0.05 0.66 0.71 -7.23 -0.37 -4.85 120.40 108.08 1ibl s VAL 95 Ca 0.15 -0.38 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 1ibl s VAL 95 Cb -0.09 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1ibl s VAL 95 CO 0.07 -0.21 1.03 -0.83 -0.31 0.00 0.00 175.10 174.85 1ibl s GLY 96 N -1.04 1.62 0.57 2.32 0.00 -1.26 -1.57 107.32 107.96 1ibl s GLY 96 Ca -0.11 -0.40 0.28 0.00 0.00 0.00 0.00 44.72 44.49 1ibl s GLY 96 CO 0.04 -0.07 1.97 -0.24 0.00 0.00 0.00 173.10 174.80 1ibl h VAL 97 N -0.48 0.49 -0.16 1.40 3.04 -1.90 0.70 116.25 119.35 1ibl h VAL 97 Ca -0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 1ibl h VAL 97 Cb 1.24 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1ibl h VAL 97 CO 0.63 0.00 -0.19 0.11 -1.01 0.00 0.00 177.57 177.11 1ibl h LYS 98 N 0.00 0.26 -0.02 4.17 1.57 -1.93 -3.12 116.57 117.51 1ibl h LYS 98 Ca 0.21 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ibl h LYS 98 Cb 1.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1ibl h LYS 98 CO -0.00 0.45 -0.43 0.39 -0.57 0.00 0.00 179.45 179.29 1ibl n GLU 99 N -4.21 1.29 -1.67 3.15 1.02 0.24 -4.97 120.64 115.48 1ibl n GLU 99 Ca -0.01 -1.05 -0.51 0.00 -0.02 0.00 0.00 57.16 55.57 1ibl n GLU 99 Cb 0.32 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1ibl n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ibl n ILE 100 N 0.06 0.28 -1.40 -3.67 5.41 -0.75 -4.86 119.36 114.44 1ibl n ILE 100 Ca 0.10 -0.05 -0.31 0.00 1.00 0.00 0.00 62.75 63.49 1ibl n ILE 100 Cb 0.47 -1.43 0.08 0.00 -0.71 0.00 0.00 39.64 38.06 1ibl n ILE 100 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ibl s PRO 101 N 2.60 2.48 -0.33 0.38 0.04 -1.26 -5.04 135.00 133.88 1ibl s PRO 101 Ca 0.90 1.04 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1ibl s PRO 101 Cb -0.84 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 31.86 1ibl s PRO 101 CO 0.52 -1.45 0.03 0.50 0.04 0.00 0.00 177.00 176.64 1ibl s ARG 102 N -4.98 1.65 -0.49 4.56 3.52 -1.26 -4.91 118.95 117.05 1ibl s ARG 102 Ca 0.60 -1.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.15 1ibl s ARG 102 Cb -0.16 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1ibl s ARG 102 CO 0.56 -0.88 1.85 0.08 -0.81 0.00 0.00 175.30 176.09 1ibl s VAL 103 N 0.95 3.41 -0.67 7.11 1.01 -1.26 -4.09 120.40 126.86 1ibl s VAL 103 Ca 0.07 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1ibl s VAL 103 Cb -0.19 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1ibl s VAL 103 CO -0.07 -0.66 0.62 0.54 0.00 0.00 0.00 175.10 175.52 1ibl n ARG 104 N 8.83 -1.27 -1.95 2.72 5.12 -1.26 -0.38 116.66 128.47 1ibl n ARG 104 Ca 0.22 1.16 -0.02 0.00 -1.93 0.00 0.00 57.85 57.28 1ibl n ARG 104 Cb 0.50 -4.99 -0.00 0.00 -1.16 0.00 0.00 32.46 26.80 1ibl n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ibl n ARG 105 N -1.96 -2.24 0.00 5.56 3.00 -1.26 0.21 116.66 119.98 1ibl n ARG 105 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1ibl n ARG 105 Cb 0.53 -3.02 0.00 0.00 0.00 0.00 0.00 32.46 29.97 1ibl n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ibl n GLY 106 N -0.37 3.36 0.00 -0.13 0.00 -1.14 -4.91 105.19 102.00 1ibl n GLY 106 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ibl n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ibl n LEU 107 N 0.00 0.00 0.00 0.99 4.77 0.58 -4.77 117.00 118.56 1ibl n LEU 107 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ibl n LEU 107 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ibl n LEU 107 CO 0.00 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1ibl n GLY 108 N -0.01 4.58 3.29 -0.72 0.00 0.49 -4.94 105.19 107.88 1ibl n GLY 108 Ca 0.12 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 1ibl n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ibl s ILE 109 N -1.24 0.00 -0.24 -0.61 -4.36 0.10 -4.67 121.20 110.17 1ibl s ILE 109 Ca 0.00 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1ibl s ILE 109 Cb 0.00 -2.50 0.13 0.00 1.25 0.00 0.00 42.46 41.34 1ibl s ILE 109 CO 0.00 0.00 0.37 0.00 0.24 0.00 0.00 174.94 175.55 1ibl s ALA 110 N -3.69 -1.02 0.02 2.27 0.00 -1.26 -2.26 121.76 115.82 1ibl s ALA 110 Ca 0.38 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 1ibl s ALA 110 Cb 0.04 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1ibl s ALA 110 CO 0.21 -1.27 0.89 0.42 0.00 0.00 0.00 175.76 176.00 1ibl s ILE 111 N 2.53 4.80 0.01 0.00 1.01 -0.75 -1.33 121.20 127.46 1ibl s ILE 111 Ca 0.12 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 1ibl s ILE 111 Cb -0.15 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1ibl s ILE 111 CO -0.16 0.24 0.01 -1.48 0.00 0.00 0.00 174.94 173.56 1ibl s LEU 112 N 0.57 2.03 -0.10 2.97 2.34 -0.61 -1.53 118.68 124.35 1ibl s LEU 112 Ca 0.46 -0.24 -0.16 0.00 0.06 0.00 0.00 54.13 54.25 1ibl s LEU 112 Cb -0.21 0.16 -0.05 0.00 -0.56 0.00 0.00 46.19 45.53 1ibl s LEU 112 CO 0.26 -0.19 0.39 -0.55 -1.06 0.00 0.00 176.35 175.20 1ibl s SER 113 N -0.84 6.63 0.30 1.48 0.15 -0.82 -1.35 113.70 119.25 1ibl s SER 113 Ca -0.09 0.75 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1ibl s SER 113 Cb -0.06 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 1ibl s SER 113 CO -0.00 0.13 0.08 0.42 1.20 0.00 0.00 173.24 175.07 1ibl s THR 114 N 0.09 0.84 -0.76 6.45 -4.23 0.28 -1.95 115.64 116.36 1ibl s THR 114 Ca 0.22 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1ibl s THR 114 Cb -0.15 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.17 1ibl s THR 114 CO 0.09 0.00 1.50 -1.54 -0.54 0.00 0.00 174.62 174.13 1ibl n SER 115 N -0.66 0.27 -1.26 3.99 3.41 -1.26 0.23 113.62 118.34 1ibl n SER 115 Ca -0.01 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1ibl n SER 115 Cb 0.66 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.28 1ibl n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibl n LYS 116 N -1.81 3.19 0.00 4.33 5.02 -1.26 -5.07 118.16 122.56 1ibl n LYS 116 Ca 0.02 -2.64 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 1ibl n LYS 116 Cb 0.16 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1ibl n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibl n GLY 117 N 1.03 -1.52 3.59 0.72 0.00 0.13 -4.96 105.19 104.18 1ibl n GLY 117 Ca 0.22 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1ibl n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 118 N -0.45 5.04 0.10 1.61 1.01 -1.26 1.00 120.40 127.45 1ibl s VAL 118 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1ibl s VAL 118 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1ibl s VAL 118 CO 0.00 -0.05 0.17 -1.48 0.00 0.00 0.00 175.10 173.74 1ibl s LEU 119 N 2.36 1.49 1.24 3.92 2.34 -0.46 -4.96 118.68 124.61 1ibl s LEU 119 Ca 0.20 -0.75 -0.18 0.00 0.06 0.00 0.00 54.13 53.46 1ibl s LEU 119 Cb -0.15 0.93 0.30 0.00 -0.56 0.00 0.00 46.19 46.71 1ibl s LEU 119 CO 0.11 -0.74 1.04 0.42 -1.06 0.00 0.00 176.35 176.12 1ibl s THR 120 N -3.89 1.60 0.24 5.48 -4.23 -1.26 -1.58 115.64 112.00 1ibl s THR 120 Ca 0.08 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1ibl s THR 120 Cb 0.05 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1ibl s THR 120 CO -0.09 0.00 1.62 -2.24 -0.54 0.00 0.00 174.62 173.38 1ibl h ASP 121 N -2.77 0.51 -0.24 3.99 2.03 -1.57 -1.24 116.42 117.13 1ibl h ASP 121 Ca -0.49 -0.22 -0.13 0.00 -0.73 0.00 0.00 57.03 55.47 1ibl h ASP 121 Cb 1.32 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1ibl h ASP 121 CO 0.38 0.85 -0.34 0.03 -1.03 0.00 0.00 179.24 179.14 1ibl h ARG 122 N 0.40 0.66 -0.59 4.15 3.08 -1.91 0.33 114.38 120.50 1ibl h ARG 122 Ca 0.04 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1ibl h ARG 122 Cb 0.88 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1ibl h ARG 122 CO 0.07 1.00 0.24 0.93 -1.07 0.00 0.00 179.97 181.14 1ibl h GLU 123 N 0.37 0.85 -0.13 0.04 5.08 -1.88 0.34 114.58 119.24 1ibl h GLU 123 Ca 0.03 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1ibl h GLU 123 Cb 0.93 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ibl h GLU 123 CO 0.08 0.69 -0.17 0.00 -1.00 0.00 0.00 179.01 178.61 1ibl h ALA 124 N 1.43 0.20 -0.15 3.43 0.00 -1.03 -1.42 119.26 121.71 1ibl h ALA 124 Ca 0.20 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ibl h ALA 124 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ibl h ALA 124 CO -0.02 0.11 -0.04 -0.09 0.00 0.00 0.00 179.25 179.21 1ibl h ARG 125 N -0.04 0.23 0.24 0.00 2.43 0.05 0.68 114.38 117.96 1ibl h ARG 125 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ibl h ARG 125 Cb 0.73 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1ibl h ARG 125 CO 0.04 0.29 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.45 1ibl h LYS 126 N 0.22 -0.31 0.00 0.20 3.64 -0.01 -2.16 116.57 118.15 1ibl h LYS 126 Ca 0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ibl h LYS 126 Cb 0.23 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ibl h LYS 126 CO 0.01 -0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.26 1ibl n LEU 127 N -3.03 0.00 -3.55 5.20 4.77 -0.57 -4.81 117.00 115.02 1ibl n LEU 127 Ca -0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 1ibl n LEU 127 Cb 0.13 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1ibl n LEU 127 CO 0.10 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 176.89 1ibl n GLY 128 N -0.39 -0.41 3.32 -0.72 0.00 0.02 -5.01 105.19 102.01 1ibl n GLY 128 Ca 0.05 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1ibl n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ibl s VAL 129 N -3.39 0.94 0.00 1.61 -7.23 0.01 -4.88 120.40 107.46 1ibl s VAL 129 Ca 0.20 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1ibl s VAL 129 Cb -0.09 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1ibl s VAL 129 CO 0.75 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1ibl n GLY 130 N -0.41 4.51 0.00 2.32 0.00 -1.26 -4.34 105.19 106.01 1ibl n GLY 130 Ca -0.05 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1ibl n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 131 N 2.42 -0.67 3.62 -0.02 0.00 -0.61 -4.54 105.19 105.40 1ibl n GLY 131 Ca 0.00 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1ibl n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ibl s GLU 132 N -1.59 3.76 -0.22 1.61 2.12 -0.82 -1.24 118.70 122.32 1ibl s GLU 132 Ca 0.00 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.52 1ibl s GLU 132 Cb 0.00 -4.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1ibl s GLU 132 CO 0.00 -1.33 1.73 -1.17 -0.54 0.00 0.00 175.26 173.95 1ibl s LEU 133 N 5.17 3.82 -0.13 2.70 0.20 0.11 -1.95 118.68 128.59 1ibl s LEU 133 Ca 0.68 1.65 -0.26 0.00 0.69 0.00 0.00 54.13 56.89 1ibl s LEU 133 Cb -0.22 -3.53 -0.23 0.00 -0.43 0.00 0.00 46.19 41.79 1ibl s LEU 133 CO 0.28 -1.39 0.69 0.40 -0.29 0.00 0.00 176.35 176.04 1ibl h ILE 134 N 6.33 1.58 -1.96 6.68 2.04 -1.57 -2.83 117.51 127.78 1ibl h ILE 134 Ca -0.35 -2.17 0.22 0.00 1.00 0.00 0.00 64.86 63.55 1ibl h ILE 134 Cb 1.17 2.98 -0.12 0.00 -0.74 0.00 0.00 36.82 40.12 1ibl h ILE 134 CO 1.00 0.53 0.63 0.00 0.00 0.00 0.00 178.15 180.31 1ibl s GLU 136 N -2.90 2.43 -0.30 0.00 2.02 -0.85 -1.81 118.70 117.29 1ibl s GLU 136 Ca 0.11 -1.57 -0.16 0.00 0.02 0.00 0.00 54.97 53.37 1ibl s GLU 136 Cb 0.01 -2.64 0.20 0.00 0.10 0.00 0.00 34.13 31.80 1ibl s GLU 136 CO -0.02 -0.70 1.20 0.08 0.02 0.00 0.00 175.26 175.84 1ibl s VAL 137 N -2.60 -0.01 0.00 2.63 1.01 -0.96 -3.28 120.40 117.19 1ibl s VAL 137 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1ibl s VAL 137 Cb -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1ibl s VAL 137 CO 0.36 0.00 0.00 -2.67 0.00 0.00 0.00 175.10 172.79