#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm s LEU 2 N 0.00 3.51 0.06 3.17 1.43 -1.26 -4.93 118.68 120.66 1ibm s LEU 2 Ca 0.00 0.61 -0.37 0.00 -1.03 0.00 0.00 54.13 53.34 1ibm s LEU 2 Cb 0.00 -3.33 -0.20 0.00 0.03 0.00 0.00 46.19 42.68 1ibm s LEU 2 CO 0.00 -1.57 1.58 0.71 0.23 0.00 0.00 176.35 177.30 1ibm h THR 3 N 6.45 0.05 -3.21 5.49 1.35 -2.06 -3.40 112.91 117.58 1ibm h THR 3 Ca -0.27 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.97 1ibm h THR 3 Cb 1.10 0.05 -0.40 0.00 -1.73 0.00 0.00 68.15 67.17 1ibm h THR 3 CO 1.12 0.00 -0.71 -0.62 -0.25 0.00 0.00 175.52 175.06 1ibm s ASP 4 N -4.07 4.03 0.19 5.36 2.15 -1.26 -4.98 116.67 118.10 1ibm s ASP 4 Ca -0.20 -2.47 -0.18 0.00 0.43 0.00 0.00 52.55 50.14 1ibm s ASP 4 Cb 0.02 -1.23 0.17 0.00 -0.30 0.00 0.00 42.92 41.58 1ibm s ASP 4 CO 0.60 -0.30 1.60 -0.65 -0.17 0.00 0.00 175.17 176.25 1ibm h PRO 5 N 7.05 -0.11 -0.78 4.34 0.11 -1.98 -0.46 132.00 140.17 1ibm h PRO 5 Ca -0.05 0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.24 1ibm h PRO 5 Cb 0.95 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 31.97 1ibm h PRO 5 CO 0.53 -0.07 0.24 0.82 -0.21 0.00 0.00 178.00 179.31 1ibm h ILE 6 N -0.11 0.52 0.06 4.15 1.08 -1.99 0.47 117.51 121.68 1ibm h ILE 6 Ca 0.26 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.61 1ibm h ILE 6 Cb 0.52 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1ibm h ILE 6 CO -0.65 0.06 -0.03 0.00 -0.69 0.00 0.00 178.15 176.84 1ibm h ALA 7 N 1.63 -0.08 -1.11 1.87 0.00 -1.74 -0.70 119.26 119.13 1ibm h ALA 7 Ca 0.45 -0.21 0.33 0.00 0.00 0.00 0.00 54.91 55.48 1ibm h ALA 7 Cb 0.79 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1ibm h ALA 7 CO -0.51 -0.33 0.69 0.22 0.00 0.00 0.00 179.25 179.32 1ibm h ASP 8 N -0.51 0.42 0.26 0.00 3.58 0.78 0.65 116.42 121.59 1ibm h ASP 8 Ca -0.01 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1ibm h ASP 8 Cb 0.45 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1ibm h ASP 8 CO 0.01 -0.06 -0.12 -0.03 -2.88 0.00 0.00 179.24 176.15 1ibm h MET 9 N 0.29 -0.33 -0.99 0.28 4.05 0.02 -1.37 114.93 116.87 1ibm h MET 9 Ca 0.71 0.02 0.37 0.00 -0.28 0.00 0.00 59.70 60.52 1ibm h MET 9 Cb 1.86 0.08 -0.18 0.00 -0.80 0.00 0.00 31.60 32.56 1ibm h MET 9 CO -0.44 -0.22 0.40 -0.07 0.23 0.00 0.00 176.91 176.80 1ibm h LEU 10 N -0.83 0.11 0.07 3.39 3.38 0.53 0.25 115.31 122.21 1ibm h LEU 10 Ca -0.04 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ibm h LEU 10 Cb 0.27 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ibm h LEU 10 CO 0.06 -0.38 -0.03 0.74 0.09 0.00 0.00 178.44 178.91 1ibm h THR 11 N 0.04 1.19 -0.23 0.22 2.02 0.18 0.23 112.91 116.56 1ibm h THR 11 Ca 0.76 -0.96 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1ibm h THR 11 Cb 1.89 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 70.11 1ibm h THR 11 CO -0.79 0.24 0.57 0.03 0.37 0.00 0.00 175.52 175.93 1ibm h ARG 12 N -0.52 0.00 0.00 6.66 3.08 0.63 0.87 114.38 125.10 1ibm h ARG 12 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1ibm h ARG 12 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ibm h ARG 12 CO 0.01 0.00 -0.82 0.82 -1.07 0.00 0.00 179.97 178.91 1ibm h ILE 13 N 0.00 0.80 -0.51 2.04 2.04 -0.84 -2.58 117.51 118.46 1ibm h ILE 13 Ca 0.11 -1.88 0.15 0.00 1.00 0.00 0.00 64.86 64.24 1ibm h ILE 13 Cb 1.24 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1ibm h ILE 13 CO -0.00 0.27 0.43 -0.09 0.00 0.00 0.00 178.15 178.76 1ibm h ARG 14 N -1.00 0.00 0.00 2.37 2.43 0.29 -0.56 114.38 117.91 1ibm h ARG 14 Ca -0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1ibm h ARG 14 Cb 1.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1ibm h ARG 14 CO -0.12 0.00 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.36 1ibm h ASN 15 N 0.00 0.00 -0.73 -3.80 2.35 0.45 -3.30 115.58 110.55 1ibm h ASN 15 Ca 0.24 -0.06 0.13 0.00 -0.55 0.00 0.00 56.30 56.06 1ibm h ASN 15 Cb 1.10 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.38 1ibm h ASN 15 CO -0.00 0.57 0.28 0.00 -1.65 0.00 0.00 177.43 176.63 1ibm h ALA 16 N -0.94 1.01 -0.95 -0.83 0.00 -1.07 -0.90 119.26 115.59 1ibm h ALA 16 Ca -0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ibm h ALA 16 Cb 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1ibm h ALA 16 CO -0.00 -0.21 0.61 1.79 0.00 0.00 0.00 179.25 181.44 1ibm h THR 17 N 0.43 0.97 -0.15 0.00 1.35 -1.28 -1.10 112.91 113.12 1ibm h THR 17 Ca 0.40 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 65.85 1ibm h THR 17 Cb 0.59 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1ibm h THR 17 CO -0.39 0.18 -0.25 0.03 -0.25 0.00 0.00 175.52 174.84 1ibm h ARG 18 N 0.97 0.27 -0.65 4.72 -0.00 -1.24 -1.14 114.38 117.30 1ibm h ARG 18 Ca 0.45 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.84 1ibm h ARG 18 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.36 1ibm h ARG 18 CO -0.21 0.51 0.00 1.33 0.00 0.00 0.00 179.97 181.60 1ibm n VAL 19 N -4.16 1.82 -2.36 2.04 0.24 -0.69 -4.92 118.33 110.31 1ibm n VAL 19 Ca -0.01 -1.01 -0.12 0.00 -2.04 0.00 0.00 64.34 61.16 1ibm n VAL 19 Cb 0.36 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 1ibm n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ibm n TYR 20 N 0.65 -1.37 -0.88 6.34 4.01 -0.43 -4.94 117.16 120.54 1ibm n TYR 20 Ca 0.21 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.61 1ibm n TYR 20 Cb 0.87 -2.62 0.09 0.00 -0.31 0.00 0.00 39.34 37.37 1ibm n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ibm n LYS 21 N -2.71 -0.18 -0.08 -0.72 4.76 -0.52 -4.95 118.16 113.77 1ibm n LYS 21 Ca -0.14 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.06 1ibm n LYS 21 Cb 0.59 -1.52 -0.12 0.00 -1.84 0.00 0.00 35.03 32.14 1ibm n LYS 21 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1ibm h GLU 22 N -1.34 0.07 0.00 1.97 4.81 -1.92 -3.43 114.58 114.74 1ibm h GLU 22 Ca -0.44 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1ibm h GLU 22 Cb 1.29 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1ibm h GLU 22 CO 0.30 1.06 0.00 -1.13 -0.73 0.00 0.00 179.01 178.50 1ibm n SER 23 N -4.21 1.51 0.00 1.04 3.41 -1.26 -1.45 113.62 112.66 1ibm n SER 23 Ca -0.32 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1ibm n SER 23 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1ibm n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ibm n THR 24 N 0.00 0.00 -3.62 6.66 5.66 -1.04 -4.81 114.28 117.13 1ibm n THR 24 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ibm n THR 24 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ibm n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ibm s ASP 25 N 0.00 6.63 -0.05 1.09 1.11 -1.26 -1.33 116.67 122.86 1ibm s ASP 25 Ca 0.00 0.75 -0.04 0.00 0.18 0.00 0.00 52.55 53.44 1ibm s ASP 25 Cb 0.00 -2.16 0.01 0.00 1.07 0.00 0.00 42.92 41.84 1ibm s ASP 25 CO 0.00 0.24 0.12 0.68 1.18 0.00 0.00 175.17 177.39 1ibm s VAL 26 N -1.29 -0.00 0.07 -1.27 -7.23 -1.22 -4.89 120.40 104.57 1ibm s VAL 26 Ca 0.29 0.02 -0.34 0.00 -1.81 0.00 0.00 61.98 60.13 1ibm s VAL 26 Cb -0.14 -0.18 -0.13 0.00 0.56 0.00 0.00 36.38 36.49 1ibm s VAL 26 CO 0.16 0.01 1.66 -2.65 -0.31 0.00 0.00 175.10 173.96 1ibm n PRO 27 N 3.13 2.07 -2.29 4.82 -0.02 -1.26 -0.29 135.00 141.15 1ibm n PRO 27 Ca -0.14 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 1ibm n PRO 27 Cb 0.58 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1ibm n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ibm s ALA 28 N 1.92 3.10 -0.27 3.55 0.00 -0.32 -4.84 121.76 124.89 1ibm s ALA 28 Ca 0.84 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 53.51 1ibm s ALA 28 Cb -0.71 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.11 1ibm s ALA 28 CO 0.43 -0.55 0.72 -1.54 0.00 0.00 0.00 175.76 174.83 1ibm s SER 29 N -1.22 -0.78 0.16 0.00 1.04 -1.26 -4.96 113.70 106.68 1ibm s SER 29 Ca 0.59 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 58.17 1ibm s SER 29 Cb -0.30 1.44 -0.04 0.00 0.10 0.00 0.00 66.02 67.22 1ibm s SER 29 CO 0.37 -0.24 1.55 0.03 0.98 0.00 0.00 173.24 175.92 1ibm h ARG 30 N 5.38 -0.16 -0.73 4.02 2.47 -2.00 -0.21 114.38 123.14 1ibm h ARG 30 Ca -0.29 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 58.60 1ibm h ARG 30 Cb 1.17 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 29.40 1ibm h ARG 30 CO 0.07 -0.11 -0.01 0.35 0.56 0.00 0.00 179.97 180.83 1ibm h PHE 31 N -0.17 -0.08 0.19 3.04 3.57 -1.98 0.11 116.94 121.62 1ibm h PHE 31 Ca 0.15 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ibm h PHE 31 Cb 0.51 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1ibm h PHE 31 CO -0.86 -0.24 -0.30 0.87 -2.23 0.00 0.00 178.31 175.55 1ibm h LYS 32 N 0.10 -0.54 -0.65 1.11 1.57 -1.45 -0.44 116.57 116.26 1ibm h LYS 32 Ca 0.39 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.35 1ibm h LYS 32 Cb 0.68 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 1ibm h LYS 32 CO -0.65 -0.36 0.05 0.93 -0.57 0.00 0.00 179.45 178.85 1ibm h GLU 33 N -0.56 0.15 -0.53 3.15 5.08 -0.40 0.27 114.58 121.74 1ibm h GLU 33 Ca 0.01 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1ibm h GLU 33 Cb 0.56 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1ibm h GLU 33 CO -0.13 0.10 -0.38 0.93 -1.00 0.00 0.00 179.01 178.53 1ibm h GLU 34 N 0.16 -0.21 0.05 2.33 4.39 0.62 0.51 114.58 122.42 1ibm h GLU 34 Ca 0.35 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 1ibm h GLU 34 Cb 0.58 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1ibm h GLU 34 CO -0.53 -0.14 -0.03 0.82 -1.16 0.00 0.00 179.01 177.98 1ibm h ILE 35 N -0.22 1.08 -0.65 3.13 5.03 0.43 -2.99 117.51 123.33 1ibm h ILE 35 Ca 0.19 -0.45 0.12 0.00 -0.12 0.00 0.00 64.86 64.60 1ibm h ILE 35 Cb 0.56 1.38 -0.12 0.00 -3.03 0.00 0.00 36.82 35.60 1ibm h ILE 35 CO -0.65 0.11 -0.27 -0.07 -0.68 0.00 0.00 178.15 176.59 1ibm h LEU 36 N -0.27 -0.97 -0.98 1.44 3.38 0.49 0.18 115.31 118.58 1ibm h LEU 36 Ca -0.01 0.22 0.33 0.00 0.09 0.00 0.00 57.88 58.51 1ibm h LEU 36 Cb 0.24 0.53 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 1ibm h LEU 36 CO 0.01 -0.28 0.48 -0.09 0.09 0.00 0.00 178.44 178.65 1ibm h ARG 37 N -0.10 0.22 -0.07 1.13 2.43 0.13 0.63 114.38 118.76 1ibm h ARG 37 Ca 0.28 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1ibm h ARG 37 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1ibm h ARG 37 CO -0.71 0.14 -0.15 0.82 -1.51 0.00 0.00 179.97 178.57 1ibm h ILE 38 N 0.22 1.42 -0.62 1.20 5.03 -0.70 -1.46 117.51 122.60 1ibm h ILE 38 Ca 0.72 -1.47 0.13 0.00 -0.12 0.00 0.00 64.86 64.12 1ibm h ILE 38 Cb 1.68 2.23 -0.11 0.00 -3.03 0.00 0.00 36.82 37.59 1ibm h ILE 38 CO -0.67 0.41 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.11 1ibm h LEU 39 N -0.28 -0.35 0.60 1.44 -0.00 0.13 0.33 115.31 117.19 1ibm h LEU 39 Ca 0.00 0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 58.01 1ibm h LEU 39 Cb 0.74 0.30 0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1ibm h LEU 39 CO 0.03 -0.14 -0.29 0.00 -0.00 0.00 0.00 178.44 178.05 1ibm h ALA 40 N 1.58 -1.16 -0.87 1.53 0.00 -0.76 0.19 119.26 119.77 1ibm h ALA 40 Ca 0.32 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.25 1ibm h ALA 40 Cb 0.51 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 1ibm h ALA 40 CO -0.56 -1.10 -0.10 -0.09 0.00 0.00 0.00 179.25 177.40 1ibm h ARG 41 N -0.83 0.03 0.00 0.00 2.43 -0.64 2.21 114.38 117.58 1ibm h ARG 41 Ca -0.08 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ibm h ARG 41 Cb 0.61 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1ibm h ARG 41 CO 0.13 0.02 0.00 0.39 -1.51 0.00 0.00 179.97 179.00 1ibm n GLU 42 N -5.48 0.84 -3.33 0.20 -0.58 0.11 -4.88 120.64 107.51 1ibm n GLU 42 Ca 0.16 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.72 1ibm n GLU 42 Cb 0.53 -1.33 0.06 0.00 -0.57 0.00 0.00 31.44 30.13 1ibm n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ibm n GLY 43 N 0.56 -0.21 0.07 0.62 0.00 0.75 -4.91 105.19 102.06 1ibm n GLY 43 Ca 0.13 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1ibm n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ibm n PHE 44 N -4.37 0.54 -4.29 1.61 3.72 0.63 -4.91 117.46 110.39 1ibm n PHE 44 Ca -0.01 0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 57.36 1ibm n PHE 44 Cb 0.55 -0.80 -0.13 0.00 -0.94 0.00 0.00 39.48 38.17 1ibm n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ibm s ILE 45 N -3.33 1.05 0.52 4.37 -4.36 -1.21 -4.29 121.20 113.96 1ibm s ILE 45 Ca -0.04 -1.04 0.30 0.00 -0.26 0.00 0.00 60.65 59.61 1ibm s ILE 45 Cb 0.11 -0.97 0.47 0.00 1.25 0.00 0.00 42.46 43.32 1ibm s ILE 45 CO 0.84 -0.06 1.88 0.11 0.24 0.00 0.00 174.94 177.95 1ibm h LYS 46 N 4.82 0.07 0.00 0.37 1.57 -0.52 -3.42 116.57 119.46 1ibm h LYS 46 Ca -0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ibm h LYS 46 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ibm h LYS 46 CO 0.43 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 1ibm n GLY 47 N -1.68 0.35 3.57 3.86 0.00 -1.17 -4.99 105.19 105.13 1ibm n GLY 47 Ca 0.19 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1ibm n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibm s TYR 48 N -2.85 -0.33 0.08 1.61 -0.85 -1.26 -0.73 117.35 113.01 1ibm s TYR 48 Ca 0.00 0.50 0.02 0.00 -0.52 0.00 0.00 57.07 57.07 1ibm s TYR 48 Cb 0.00 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1ibm s TYR 48 CO 0.00 -0.35 -0.07 -1.83 -1.52 0.00 0.00 175.55 171.79 1ibm s GLU 49 N -1.48 0.74 0.03 -3.49 -1.05 -0.80 -4.98 118.70 107.66 1ibm s GLU 49 Ca 0.01 -1.16 -0.30 0.00 -0.15 0.00 0.00 54.97 53.36 1ibm s GLU 49 Cb -0.01 -0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.42 1ibm s GLU 49 CO -0.01 0.00 0.99 1.03 0.95 0.00 0.00 175.26 178.22 1ibm s ARG 50 N -3.17 4.58 0.00 -4.83 0.52 -1.26 -1.23 118.95 113.57 1ibm s ARG 50 Ca 0.05 1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 56.66 1ibm s ARG 50 Cb 0.01 -3.44 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 1ibm s ARG 50 CO -0.03 -0.00 0.08 0.08 0.02 0.00 0.00 175.30 175.44 1ibm s VAL 51 N 0.80 0.08 -0.53 3.52 1.01 -1.09 -4.91 120.40 119.28 1ibm s VAL 51 Ca 0.51 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 1ibm s VAL 51 Cb -0.22 -0.33 0.13 0.00 0.00 0.00 0.00 36.38 35.96 1ibm s VAL 51 CO 0.28 -0.35 0.46 -1.81 0.00 0.00 0.00 175.10 173.68 1ibm s ASP 52 N -1.17 6.04 -0.38 3.32 1.11 -1.26 -0.32 116.67 124.01 1ibm s ASP 52 Ca -0.13 -1.88 -0.17 0.00 0.18 0.00 0.00 52.55 50.56 1ibm s ASP 52 Cb -0.07 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.78 1ibm s ASP 52 CO 0.01 -0.79 0.42 -0.69 1.18 0.00 0.00 175.17 175.30 1ibm s VAL 53 N 1.44 5.11 -1.45 -1.27 1.01 -0.25 -4.24 120.40 120.75 1ibm s VAL 53 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1ibm s VAL 53 Cb -0.28 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1ibm s VAL 53 CO 0.01 -0.25 0.00 -0.67 0.00 0.00 0.00 175.10 174.19 1ibm n ASP 54 N 5.54 -4.70 0.00 3.32 2.03 -1.26 -2.25 116.55 119.24 1ibm n ASP 54 Ca -0.08 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1ibm n ASP 54 Cb 0.48 -3.68 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 1ibm n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ibm n GLY 55 N -1.07 2.47 3.76 0.27 0.00 -1.26 -5.02 105.19 104.33 1ibm n GLY 55 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1ibm n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibm s LYS 56 N -0.59 3.13 -0.01 1.61 3.01 -0.95 -5.05 119.74 120.89 1ibm s LYS 56 Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 55.97 54.31 1ibm s LYS 56 Cb 0.00 -2.92 -0.06 0.00 -1.01 0.00 0.00 37.83 33.85 1ibm s LYS 56 CO 0.00 0.71 1.45 -1.25 0.51 0.00 0.00 175.35 176.77 1ibm s PRO 57 N -1.12 4.26 0.00 -1.68 0.04 -1.26 -1.09 135.00 134.14 1ibm s PRO 57 Ca 0.16 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1ibm s PRO 57 Cb -0.12 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ibm s PRO 57 CO 0.05 -0.63 0.00 0.66 0.04 0.00 0.00 177.00 177.12 1ibm n TYR 58 N 5.65 0.00 -3.39 0.56 4.02 0.56 -1.18 117.16 123.38 1ibm n TYR 58 Ca 0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.86 1ibm n TYR 58 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.66 1ibm n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ibm s LEU 59 N 0.00 -0.20 0.48 7.72 1.43 0.60 -2.67 118.68 126.04 1ibm s LEU 59 Ca 0.00 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 51.92 1ibm s LEU 59 Cb 0.00 0.52 -0.08 0.00 0.03 0.00 0.00 46.19 46.66 1ibm s LEU 59 CO 0.00 -0.36 1.23 0.54 0.23 0.00 0.00 176.35 177.99 1ibm n ARG 60 N 5.07 1.69 -3.75 1.70 5.12 -0.36 -3.37 116.66 122.76 1ibm n ARG 60 Ca 0.01 0.61 -0.27 0.00 -1.93 0.00 0.00 57.85 56.27 1ibm n ARG 60 Cb 0.46 -2.38 -0.17 0.00 -1.16 0.00 0.00 32.46 29.21 1ibm n ARG 60 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ibm s VAL 61 N -1.27 0.50 -0.41 1.55 1.01 -0.44 -1.90 120.40 119.44 1ibm s VAL 61 Ca 0.66 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1ibm s VAL 61 Cb -0.47 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1ibm s VAL 61 CO 0.54 -0.11 0.94 -0.31 0.00 0.00 0.00 175.10 176.16 1ibm s TYR 62 N 1.88 3.01 0.55 5.22 2.02 0.09 -2.49 117.35 127.62 1ibm s TYR 62 Ca 0.00 0.62 -0.15 0.00 -0.37 0.00 0.00 57.07 57.17 1ibm s TYR 62 Cb -0.16 -3.81 -0.07 0.00 -0.40 0.00 0.00 41.96 37.53 1ibm s TYR 62 CO -0.07 -0.95 1.00 -0.51 -1.57 0.00 0.00 175.55 173.45 1ibm s LEU 63 N 3.63 3.52 0.04 -1.29 2.01 -0.53 0.14 118.68 126.20 1ibm s LEU 63 Ca 0.38 1.56 0.08 0.00 0.01 0.00 0.00 54.13 56.16 1ibm s LEU 63 Cb -0.11 -4.50 -0.03 0.00 0.01 0.00 0.00 46.19 41.56 1ibm s LEU 63 CO 0.22 -0.71 -0.22 -0.75 1.01 0.00 0.00 176.35 175.90 1ibm s LYS 64 N -4.32 1.55 0.29 1.70 2.20 -1.26 -4.41 119.74 115.48 1ibm s LYS 64 Ca 0.58 -0.97 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1ibm s LYS 64 Cb -0.11 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1ibm s LYS 64 CO 0.37 0.43 0.13 0.71 -0.36 0.00 0.00 175.35 176.63 1ibm s TYR 65 N -0.77 1.57 0.00 4.03 1.51 -1.26 -3.70 117.35 118.74 1ibm s TYR 65 Ca 0.09 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 54.85 1ibm s TYR 65 Cb -0.09 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 1ibm s TYR 65 CO 0.02 -0.44 0.00 0.41 -1.11 0.00 0.00 175.55 174.42 1ibm n GLY 66 N -0.54 -1.41 3.96 0.71 0.00 0.31 -4.84 105.19 103.38 1ibm n GLY 66 Ca 0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 1ibm n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibm s PRO 67 N -0.86 2.89 0.19 1.61 0.04 -1.26 -4.62 135.00 132.98 1ibm s PRO 67 Ca 0.00 -0.61 -0.31 0.00 0.04 0.00 0.00 61.00 60.12 1ibm s PRO 67 Cb 0.00 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 1ibm s PRO 67 CO 0.00 -0.41 1.56 0.50 0.04 0.00 0.00 177.00 178.69 1ibm s ARG 68 N -4.61 4.21 0.64 4.56 3.52 -1.26 -4.25 118.95 121.76 1ibm s ARG 68 Ca 0.51 2.37 0.01 0.00 -0.13 0.00 0.00 55.73 58.50 1ibm s ARG 68 Cb -0.10 -3.14 0.09 0.00 -1.56 0.00 0.00 34.95 30.24 1ibm s ARG 68 CO 0.38 -0.58 0.89 1.03 -0.81 0.00 0.00 175.30 176.20 1ibm s ARG 69 N 0.82 2.06 0.32 5.12 0.52 0.01 -4.98 118.95 122.82 1ibm s ARG 69 Ca 0.68 -1.07 0.10 0.00 -0.52 0.00 0.00 55.73 54.91 1ibm s ARG 69 Cb -0.44 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 1ibm s ARG 69 CO 0.34 -1.11 -0.03 -0.65 0.02 0.00 0.00 175.30 173.87 1ibm s GLN 70 N -4.94 2.03 1.47 3.54 -0.21 -1.26 -4.42 119.66 115.87 1ibm s GLN 70 Ca 0.63 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 54.29 1ibm s GLN 70 Cb -0.07 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1ibm s GLN 70 CO 0.41 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 1ibm n GLY 71 N -0.88 -1.00 3.73 3.09 0.00 -1.26 -4.82 105.19 104.04 1ibm n GLY 71 Ca -0.05 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1ibm n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibm s PRO 72 N 0.00 4.45 -0.15 1.61 0.04 -1.26 -4.28 135.00 135.41 1ibm s PRO 72 Ca 0.00 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1ibm s PRO 72 Cb 0.00 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ibm s PRO 72 CO 0.00 -0.19 0.11 -3.47 0.04 0.00 0.00 177.00 173.49 1ibm n ASP 73 N 3.24 -4.59 0.00 6.66 4.64 -1.26 -4.95 116.55 120.29 1ibm n ASP 73 Ca 0.07 0.46 0.14 0.00 -1.38 0.00 0.00 54.79 54.08 1ibm n ASP 73 Cb 0.45 -2.89 0.66 0.00 -1.04 0.00 0.00 41.12 38.31 1ibm n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1ibm n PRO 74 N 0.00 0.17 -1.60 -0.67 -0.04 -1.26 -4.72 135.00 126.88 1ibm n PRO 74 Ca 0.02 0.01 -0.57 0.00 -0.04 0.00 0.00 63.50 62.92 1ibm n PRO 74 Cb 0.08 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 1ibm n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ibm n ARG 75 N -1.41 0.67 -0.59 0.54 1.74 -1.26 -0.81 116.66 115.53 1ibm n ARG 75 Ca 0.10 0.24 -0.31 0.00 -0.77 0.00 0.00 57.85 57.11 1ibm n ARG 75 Cb 0.29 -1.83 0.21 0.00 -1.02 0.00 0.00 32.46 30.11 1ibm n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ibm n PRO 76 N 2.78 -1.99 -3.64 5.56 -0.02 -1.26 -4.52 135.00 131.91 1ibm n PRO 76 Ca 0.21 -0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 60.83 1ibm n PRO 76 Cb 0.12 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1ibm n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ibm s GLU 77 N -3.78 3.62 0.06 -0.52 2.12 -1.26 -4.80 118.70 114.13 1ibm s GLU 77 Ca 0.61 -0.09 -0.25 0.00 0.36 0.00 0.00 54.97 55.59 1ibm s GLU 77 Cb -0.17 -2.82 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 1ibm s GLU 77 CO 0.66 0.43 0.79 -0.65 -0.54 0.00 0.00 175.26 175.95 1ibm s GLN 78 N -2.80 4.52 0.23 4.30 -1.52 -1.26 0.11 119.66 123.24 1ibm s GLN 78 Ca 0.41 1.11 0.06 0.00 -1.95 0.00 0.00 55.36 55.00 1ibm s GLN 78 Cb -0.12 -3.36 0.23 0.00 -0.22 0.00 0.00 33.01 29.54 1ibm s GLN 78 CO 0.25 0.30 1.54 0.28 -0.25 0.00 0.00 175.29 177.41 1ibm h VAL 79 N 4.06 1.43 -2.57 1.09 2.07 -1.89 -3.27 116.25 117.17 1ibm h VAL 79 Ca -0.44 -2.17 -0.80 0.00 0.82 0.00 0.00 66.70 64.11 1ibm h VAL 79 Cb 1.21 2.15 -0.25 0.00 -1.52 0.00 0.00 31.29 32.87 1ibm h VAL 79 CO 0.71 0.63 1.06 -0.38 0.02 0.00 0.00 177.57 179.61 1ibm n ILE 80 N -3.80 5.16 -0.05 4.57 5.41 -1.26 -4.85 119.36 124.53 1ibm n ILE 80 Ca -0.02 -5.62 -0.08 0.00 1.00 0.00 0.00 62.75 58.03 1ibm n ILE 80 Cb 0.66 -2.12 -0.01 0.00 -0.71 0.00 0.00 39.64 37.45 1ibm n ILE 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1ibm h HIS 81 N 5.47 -0.43 -4.81 1.39 3.86 -1.61 -3.44 115.15 115.58 1ibm h HIS 81 Ca 0.25 0.03 -0.35 0.00 -1.16 0.00 0.00 60.37 59.13 1ibm h HIS 81 Cb 0.61 0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.26 1ibm h HIS 81 CO 1.07 -0.24 -0.22 1.58 0.86 0.00 0.00 177.93 180.98 1ibm n HIS 82 N -5.33 -0.09 0.00 2.45 -0.00 -1.16 -5.03 115.22 106.05 1ibm n HIS 82 Ca -0.01 -1.38 0.00 0.00 -0.00 0.00 0.00 57.72 56.34 1ibm n HIS 82 Cb 0.24 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 1ibm n HIS 82 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1ibm n ILE 83 N -0.96 0.00 -4.98 3.57 3.06 -1.26 -4.12 119.36 114.67 1ibm n ILE 83 Ca -0.07 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.91 1ibm n ILE 83 Cb 0.36 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.38 1ibm n ILE 83 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1ibm s ARG 84 N 0.00 1.77 0.08 9.51 3.52 -1.22 -4.97 118.95 127.65 1ibm s ARG 84 Ca 0.00 -0.71 -0.25 0.00 -0.13 0.00 0.00 55.73 54.64 1ibm s ARG 84 Cb 0.00 -1.64 -0.06 0.00 -1.56 0.00 0.00 34.95 31.69 1ibm s ARG 84 CO 0.00 0.38 0.76 0.50 -0.81 0.00 0.00 175.30 176.13 1ibm s ARG 85 N -0.31 4.51 0.00 5.12 3.00 -1.26 -1.26 118.95 128.74 1ibm s ARG 85 Ca 0.04 1.08 0.00 0.00 -1.00 0.00 0.00 55.73 55.85 1ibm s ARG 85 Cb -0.09 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.53 1ibm s ARG 85 CO 0.00 0.39 0.00 -0.89 0.00 0.00 0.00 175.30 174.81 1ibm n ILE 86 N 2.36 0.00 -1.82 4.11 5.41 -0.51 -4.90 119.36 124.01 1ibm n ILE 86 Ca -0.04 0.10 -0.43 0.00 1.00 0.00 0.00 62.75 63.39 1ibm n ILE 86 Cb 0.50 -0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 38.43 1ibm n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1ibm s SER 87 N -1.73 5.78 0.26 4.38 0.15 -1.04 -4.90 113.70 116.60 1ibm s SER 87 Ca 0.00 1.66 0.11 0.00 0.70 0.00 0.00 55.95 58.42 1ibm s SER 87 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1ibm s SER 87 CO 0.00 -1.74 -0.17 -0.54 1.20 0.00 0.00 173.24 171.99 1ibm s LYS 88 N 5.80 1.79 0.75 5.44 1.02 -0.88 -4.84 119.74 128.81 1ibm s LYS 88 Ca 0.88 -1.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1ibm s LYS 88 Cb -0.28 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1ibm s LYS 88 CO 0.34 0.35 0.55 -0.35 -0.92 0.00 0.00 175.35 175.33 1ibm n PRO 89 N -0.51 0.25 -3.79 -1.68 -0.04 -1.26 -2.06 135.00 125.91 1ibm n PRO 89 Ca -0.07 0.13 -0.26 0.00 -0.04 0.00 0.00 63.50 63.26 1ibm n PRO 89 Cb 0.59 -1.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1ibm n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ibm n GLY 90 N 1.58 -0.51 0.00 0.55 0.00 -1.26 -4.73 105.19 100.82 1ibm n GLY 90 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1ibm n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibm n ARG 91 N -4.27 0.00 -1.66 1.61 0.00 -0.87 -5.16 116.66 106.30 1ibm n ARG 91 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.32 1ibm n ARG 91 Cb 0.65 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.20 1ibm n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ibm s ARG 92 N 0.00 2.07 -0.17 -0.14 1.81 -1.11 -2.08 118.95 119.34 1ibm s ARG 92 Ca 0.00 0.48 -0.05 0.00 -1.72 0.00 0.00 55.73 54.44 1ibm s ARG 92 Cb 0.00 -1.93 0.06 0.00 -0.45 0.00 0.00 34.95 32.63 1ibm s ARG 92 CO 0.00 -1.59 0.12 0.08 -0.68 0.00 0.00 175.30 173.23 1ibm s VAL 93 N -3.27 -0.15 -0.03 3.52 1.01 -1.26 -4.88 120.40 115.34 1ibm s VAL 93 Ca 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1ibm s VAL 93 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1ibm s VAL 93 CO 0.53 -0.22 -0.06 -0.31 0.00 0.00 0.00 175.10 175.04 1ibm s TYR 94 N 2.19 2.93 0.07 5.22 1.51 -1.26 0.44 117.35 128.45 1ibm s TYR 94 Ca 0.03 0.00 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1ibm s TYR 94 Cb -0.16 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1ibm s TYR 94 CO -0.09 0.36 -0.14 0.14 -1.11 0.00 0.00 175.55 174.71 1ibm s VAL 95 N -0.92 1.09 0.35 0.71 -7.23 -0.46 -4.94 120.40 109.01 1ibm s VAL 95 Ca 0.15 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1ibm s VAL 95 Cb -0.11 -1.05 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 1ibm s VAL 95 CO 0.05 -0.23 0.67 -0.83 -0.31 0.00 0.00 175.10 174.45 1ibm s GLY 96 N -1.72 1.89 0.45 2.32 0.00 -1.26 -1.11 107.32 107.88 1ibm s GLY 96 Ca -0.02 -0.38 0.17 0.00 0.00 0.00 0.00 44.72 44.49 1ibm s GLY 96 CO 0.02 -0.23 1.95 -0.24 0.00 0.00 0.00 173.10 174.61 1ibm h VAL 97 N 1.19 0.82 0.00 1.40 3.04 -1.91 0.84 116.25 121.63 1ibm h VAL 97 Ca -0.47 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1ibm h VAL 97 Cb 1.19 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1ibm h VAL 97 CO 0.65 0.06 -0.04 0.11 -1.01 0.00 0.00 177.57 177.34 1ibm h LYS 98 N 0.34 0.00 -0.51 4.17 1.57 -1.92 -2.81 116.57 117.41 1ibm h LYS 98 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ibm h LYS 98 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1ibm h LYS 98 CO -0.08 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.22 1ibm n GLU 99 N -4.20 3.72 -2.66 3.15 1.02 0.29 -4.98 120.64 116.99 1ibm n GLU 99 Ca -0.03 -2.85 -0.43 0.00 -0.02 0.00 0.00 57.16 53.83 1ibm n GLU 99 Cb 0.12 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 1ibm n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ibm s ILE 100 N -2.19 4.52 0.24 -3.67 1.01 -0.96 -4.68 121.20 115.47 1ibm s ILE 100 Ca 0.47 1.68 -0.31 0.00 0.00 0.00 0.00 60.65 62.48 1ibm s ILE 100 Cb 0.33 -4.40 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 1ibm s ILE 100 CO 0.18 -0.48 1.37 -0.81 0.00 0.00 0.00 174.94 175.19 1ibm n PRO 101 N 6.86 1.92 -3.05 2.79 -0.04 -1.26 -4.96 135.00 137.25 1ibm n PRO 101 Ca 0.11 0.68 -0.45 0.00 -0.04 0.00 0.00 63.50 63.81 1ibm n PRO 101 Cb 0.47 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.61 1ibm n PRO 101 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ibm s ARG 102 N -0.47 3.80 -0.05 0.54 3.52 -1.26 -4.87 118.95 120.16 1ibm s ARG 102 Ca 0.68 -2.27 -0.30 0.00 -0.13 0.00 0.00 55.73 53.71 1ibm s ARG 102 Cb -0.67 -4.83 -0.09 0.00 -1.56 0.00 0.00 34.95 27.80 1ibm s ARG 102 CO 0.51 -1.63 2.03 0.28 -0.81 0.00 0.00 175.30 175.68 1ibm n VAL 103 N 4.68 0.64 -3.77 7.11 0.31 -1.26 -3.22 118.33 122.82 1ibm n VAL 103 Ca 0.26 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 1ibm n VAL 103 Cb 0.46 -2.30 0.02 0.00 -0.91 0.00 0.00 33.84 31.11 1ibm n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ibm n ARG 104 N 7.72 -2.42 -2.47 5.55 5.12 -1.26 -1.21 116.66 127.69 1ibm n ARG 104 Ca 0.23 0.46 -0.01 0.00 -1.93 0.00 0.00 57.85 56.61 1ibm n ARG 104 Cb 0.40 -4.41 -0.00 0.00 -1.16 0.00 0.00 32.46 27.29 1ibm n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ibm n ARG 105 N -4.26 -2.91 0.00 5.56 3.00 -1.20 0.20 116.66 117.05 1ibm n ARG 105 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.65 1ibm n ARG 105 Cb 0.63 -4.37 0.00 0.00 0.00 0.00 0.00 32.46 28.72 1ibm n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ibm n GLY 106 N -0.49 2.29 0.18 -0.13 0.00 -0.35 -4.93 105.19 101.76 1ibm n GLY 106 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ibm n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ibm h LEU 107 N 0.00 0.00 0.00 0.99 4.07 -0.26 -3.46 115.31 116.65 1ibm h LEU 107 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ibm h LEU 107 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ibm h LEU 107 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 1ibm n GLY 108 N 1.16 2.48 3.02 0.83 0.00 -0.90 -4.96 105.19 106.82 1ibm n GLY 108 Ca 0.03 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 1ibm n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ibm n ILE 109 N -0.58 0.00 -3.72 -0.61 -5.35 -0.10 -4.77 119.36 104.24 1ibm n ILE 109 Ca 0.00 -1.73 -0.12 0.00 -0.27 0.00 0.00 62.75 60.64 1ibm n ILE 109 Cb 0.00 1.01 -0.11 0.00 -1.74 0.00 0.00 39.64 38.80 1ibm n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ibm s ALA 110 N -2.78 -0.92 -0.24 -1.28 0.00 -1.26 -3.23 121.76 112.07 1ibm s ALA 110 Ca 0.28 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 1ibm s ALA 110 Cb -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1ibm s ALA 110 CO 0.20 -0.22 0.12 0.42 0.00 0.00 0.00 175.76 176.28 1ibm s ILE 111 N 0.92 4.96 0.36 0.00 1.01 -1.18 -0.81 121.20 126.45 1ibm s ILE 111 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1ibm s ILE 111 Cb -0.06 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1ibm s ILE 111 CO -0.07 0.35 0.22 -0.76 0.00 0.00 0.00 174.94 174.68 1ibm s LEU 112 N 1.15 3.34 -0.12 2.97 2.01 0.65 -2.60 118.68 126.08 1ibm s LEU 112 Ca 0.06 -0.74 0.01 0.00 0.01 0.00 0.00 54.13 53.46 1ibm s LEU 112 Cb -0.14 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.22 1ibm s LEU 112 CO 0.04 -0.39 -0.13 -0.55 1.01 0.00 0.00 176.35 176.33 1ibm s SER 113 N -3.93 2.47 0.31 2.29 0.15 -0.40 -2.09 113.70 112.51 1ibm s SER 113 Ca 0.40 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1ibm s SER 113 Cb -0.03 -1.08 -0.06 0.00 -1.71 0.00 0.00 66.02 63.14 1ibm s SER 113 CO 0.24 -0.03 0.03 0.42 1.20 0.00 0.00 173.24 175.10 1ibm s THR 114 N 1.29 1.26 0.24 6.45 -4.23 0.79 -1.97 115.64 119.47 1ibm s THR 114 Ca -0.00 -2.02 0.34 0.00 -1.18 0.00 0.00 61.69 58.83 1ibm s THR 114 Cb -0.14 -2.71 0.34 0.00 1.34 0.00 0.00 72.50 71.34 1ibm s THR 114 CO -0.06 -0.07 2.04 0.77 -0.54 0.00 0.00 174.62 176.75 1ibm h SER 115 N 2.16 0.00 -0.78 3.99 4.64 -2.01 0.31 113.55 121.86 1ibm h SER 115 Ca -0.40 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.48 1ibm h SER 115 Cb 1.24 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1ibm h SER 115 CO 0.69 0.00 0.38 0.29 -0.87 0.00 0.00 176.83 177.32 1ibm n LYS 116 N -2.71 2.23 0.00 4.77 5.02 -1.26 -5.06 118.16 121.15 1ibm n LYS 116 Ca -0.02 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1ibm n LYS 116 Cb 0.07 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1ibm n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibm n GLY 117 N -1.09 -3.11 3.65 0.72 0.00 0.11 -4.89 105.19 100.58 1ibm n GLY 117 Ca 0.51 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1ibm n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 118 N -0.80 4.98 0.19 1.61 1.01 -1.26 -0.15 120.40 125.97 1ibm s VAL 118 Ca 0.00 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 1ibm s VAL 118 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ibm s VAL 118 CO 0.00 0.06 0.28 -1.48 0.00 0.00 0.00 175.10 173.97 1ibm s LEU 119 N 2.17 0.90 0.78 3.92 2.34 -0.89 -4.99 118.68 122.91 1ibm s LEU 119 Ca 0.30 -1.03 -0.10 0.00 0.06 0.00 0.00 54.13 53.36 1ibm s LEU 119 Cb -0.16 1.09 0.08 0.00 -0.56 0.00 0.00 46.19 46.65 1ibm s LEU 119 CO 0.10 -0.93 1.12 0.42 -1.06 0.00 0.00 176.35 176.00 1ibm s THR 120 N -4.03 2.10 0.03 5.48 -4.23 -1.26 -0.25 115.64 113.49 1ibm s THR 120 Ca 0.24 -0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 1ibm s THR 120 Cb 0.03 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 1ibm s THR 120 CO 0.05 0.00 1.21 -2.24 -0.54 0.00 0.00 174.62 173.10 1ibm h ASP 121 N -0.90 -0.53 -0.81 3.99 2.03 -1.34 0.32 116.42 119.17 1ibm h ASP 121 Ca -0.45 0.04 0.16 0.00 -0.73 0.00 0.00 57.03 56.05 1ibm h ASP 121 Cb 1.32 0.18 -0.15 0.00 -0.83 0.00 0.00 39.33 39.85 1ibm h ASP 121 CO 0.62 -0.25 -0.24 0.03 -1.03 0.00 0.00 179.24 178.37 1ibm h ARG 122 N -0.38 -0.02 0.23 4.15 3.08 -1.94 0.61 114.38 120.11 1ibm h ARG 122 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ibm h ARG 122 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1ibm h ARG 122 CO -0.03 -0.01 -0.49 0.93 -1.07 0.00 0.00 179.97 179.30 1ibm h GLU 123 N -0.02 -0.77 -0.65 0.04 5.08 -1.80 0.52 114.58 116.97 1ibm h GLU 123 Ca 0.37 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 1ibm h GLU 123 Cb 0.59 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1ibm h GLU 123 CO -0.84 -0.51 0.37 0.00 -1.00 0.00 0.00 179.01 177.02 1ibm h ALA 124 N -0.52 0.86 0.31 3.43 0.00 0.13 0.13 119.26 123.60 1ibm h ALA 124 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ibm h ALA 124 Cb 0.77 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ibm h ALA 124 CO -0.21 0.05 -0.21 -0.09 0.00 0.00 0.00 179.25 178.80 1ibm h ARG 125 N 0.69 -0.47 -1.24 0.00 2.43 0.80 0.43 114.38 117.02 1ibm h ARG 125 Ca 0.28 0.03 0.40 0.00 -0.81 0.00 0.00 59.98 59.88 1ibm h ARG 125 Cb 0.15 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.68 1ibm h ARG 125 CO -0.16 -0.31 0.79 -0.22 -1.51 0.00 0.00 179.97 178.56 1ibm h LYS 126 N -0.49 0.15 -0.00 0.20 3.64 0.23 1.71 116.57 122.01 1ibm h LYS 126 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ibm h LYS 126 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ibm h LYS 126 CO 0.03 0.10 -0.01 -0.11 -2.27 0.00 0.00 179.45 177.19 1ibm n LEU 127 N -4.71 0.03 -1.21 5.20 -0.00 0.45 -4.94 117.00 111.81 1ibm n LEU 127 Ca 0.35 0.27 -0.11 0.00 -0.00 0.00 0.00 56.01 56.52 1ibm n LEU 127 Cb 1.30 -0.28 -0.01 0.00 -0.00 0.00 0.00 43.42 44.42 1ibm n LEU 127 CO 0.20 0.01 -0.14 0.61 -0.00 0.00 0.00 177.39 178.07 1ibm n GLY 128 N 1.29 0.07 3.24 -3.96 0.00 0.58 -5.02 105.19 101.39 1ibm n GLY 128 Ca 0.14 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1ibm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ibm s VAL 129 N -2.53 0.56 0.27 1.61 -7.23 -0.72 -4.90 120.40 107.45 1ibm s VAL 129 Ca 0.00 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1ibm s VAL 129 Cb 0.00 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1ibm s VAL 129 CO 0.00 -0.37 0.08 0.61 -0.31 0.00 0.00 175.10 175.10 1ibm n GLY 130 N -0.26 3.60 0.00 2.32 0.00 -1.26 -4.31 105.19 105.29 1ibm n GLY 130 Ca -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ibm n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 131 N 0.53 -0.83 3.71 -0.02 0.00 -0.27 -4.55 105.19 103.75 1ibm n GLY 131 Ca -0.05 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1ibm n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ibm s GLU 132 N -1.24 4.19 0.00 1.61 2.12 -0.83 -1.35 118.70 123.20 1ibm s GLU 132 Ca 0.00 2.42 -0.01 0.00 0.36 0.00 0.00 54.97 57.74 1ibm s GLU 132 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1ibm s GLU 132 CO 0.00 -0.67 2.30 -0.11 -0.54 0.00 0.00 175.26 176.23 1ibm n LEU 133 N 4.40 5.32 0.00 2.70 0.00 0.17 -1.28 117.00 128.31 1ibm n LEU 133 Ca 0.15 -2.55 0.00 0.00 0.00 0.00 0.00 56.01 53.61 1ibm n LEU 133 Cb 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.62 1ibm n LEU 133 CO 0.62 1.14 0.00 -0.38 0.00 0.00 0.00 177.39 178.77 1ibm n ILE 134 N 1.69 0.00 -3.17 1.96 5.41 -1.07 -3.88 119.36 120.30 1ibm n ILE 134 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1ibm n ILE 134 Cb 0.58 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 1ibm n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ibm s GLU 136 N -0.06 0.84 -0.09 0.00 2.12 -0.39 -3.13 118.70 117.99 1ibm s GLU 136 Ca 0.00 -0.83 -0.18 0.00 0.36 0.00 0.00 54.97 54.32 1ibm s GLU 136 Cb 0.00 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 1ibm s GLU 136 CO 0.00 -1.04 0.48 0.08 -0.54 0.00 0.00 175.26 174.24 1ibm s VAL 137 N 0.90 5.14 0.00 3.70 1.01 -1.20 -3.38 120.40 126.57 1ibm s VAL 137 Ca 0.28 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1ibm s VAL 137 Cb 0.03 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ibm s VAL 137 CO -0.07 0.37 0.11 -2.67 0.00 0.00 0.00 175.10 172.85