#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ise h SER 3 N 0.00 -0.91 -0.03 7.28 0.02 -2.04 0.84 113.55 118.71 1ise h SER 3 Ca 0.00 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ise h SER 3 Cb 0.00 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1ise h SER 3 CO 0.00 -0.23 -0.05 0.44 -1.14 0.00 0.00 176.83 175.85 1ise h ASP 4 N -0.26 -0.16 -0.19 3.07 3.32 -2.05 -1.17 116.42 118.98 1ise h ASP 4 Ca 0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1ise h ASP 4 Cb 0.33 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 1ise h ASP 4 CO -0.26 -0.08 -0.21 0.40 -1.72 0.00 0.00 179.24 177.37 1ise h ILE 5 N -0.08 0.45 0.07 0.35 2.04 -1.92 0.25 117.51 118.67 1ise h ILE 5 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1ise h ILE 5 Cb 0.13 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1ise h ILE 5 CO -0.08 0.00 -0.30 -0.09 0.00 0.00 0.00 178.15 177.69 1ise h ARG 6 N -0.24 -0.46 -0.74 2.37 2.43 0.95 0.95 114.38 119.64 1ise h ARG 6 Ca 0.12 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1ise h ARG 6 Cb 0.42 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1ise h ARG 6 CO -0.33 -0.31 0.39 -0.22 -1.51 0.00 0.00 179.97 177.99 1ise h LYS 7 N -0.48 0.66 -0.63 0.20 3.11 -0.82 0.11 116.57 118.72 1ise h LYS 7 Ca 0.04 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1ise h LYS 7 Cb 0.54 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.59 1ise h LYS 7 CO -0.21 0.44 0.42 0.22 -2.81 0.00 0.00 179.45 177.51 1ise h ASP 8 N 0.68 0.71 -0.22 4.20 1.82 0.26 0.01 116.42 123.87 1ise h ASP 8 Ca 0.35 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.78 1ise h ASP 8 Cb 0.32 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1ise h ASP 8 CO -0.24 0.51 -0.61 0.00 -1.61 0.00 0.00 179.24 177.29 1ise h ALA 9 N 1.61 0.45 -0.55 -0.78 0.00 0.13 -1.87 119.26 118.25 1ise h ALA 9 Ca 0.23 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1ise h ALA 9 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ise h ALA 9 CO -0.05 0.68 0.02 1.49 0.00 0.00 0.00 179.25 181.39 1ise h GLU 10 N 0.62 0.96 -0.48 0.00 4.81 -0.17 0.06 114.58 120.37 1ise h GLU 10 Ca -0.00 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 1ise h GLU 10 Cb 1.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1ise h GLU 10 CO 0.13 0.96 -0.21 0.28 -0.73 0.00 0.00 179.01 179.44 1ise h VAL 11 N 0.84 1.27 -0.44 0.32 2.07 -1.02 -1.51 116.25 117.79 1ise h VAL 11 Ca 0.16 -1.38 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 1ise h VAL 11 Cb 0.52 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ise h VAL 11 CO 0.03 0.48 -0.25 0.03 0.02 0.00 0.00 177.57 177.87 1ise h ARG 12 N 0.85 0.94 -0.56 1.57 3.08 -1.18 -1.99 114.38 117.10 1ise h ARG 12 Ca 0.11 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 1ise h ARG 12 Cb 0.79 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1ise h ARG 12 CO 0.07 1.09 -0.01 0.52 -1.07 0.00 0.00 179.97 180.57 1ise h MET 13 N 0.78 0.97 -0.78 0.04 2.86 -0.92 -2.64 114.93 115.23 1ise h MET 13 Ca 0.09 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1ise h MET 13 Cb 0.83 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1ise h MET 13 CO 0.07 0.96 0.34 0.22 1.06 0.00 0.00 176.91 179.56 1ise h ASP 14 N 0.89 1.04 0.20 1.22 3.58 -1.13 -1.06 116.42 121.15 1ise h ASP 14 Ca 0.16 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1ise h ASP 14 Cb 0.53 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1ise h ASP 14 CO 0.03 0.90 -0.24 0.11 -2.88 0.00 0.00 179.24 177.16 1ise h LYS 15 N 1.11 0.08 0.08 0.28 1.57 -1.04 -1.62 116.57 117.03 1ise h LYS 15 Ca 0.26 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.74 1ise h LYS 15 Cb 0.16 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.49 1ise h LYS 15 CO -0.03 0.31 -1.17 0.00 -0.57 0.00 0.00 179.45 177.99 1ise h VAL 17 N 0.32 1.22 0.00 0.00 2.07 -0.92 -1.30 116.25 117.64 1ise h VAL 17 Ca -0.17 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1ise h VAL 17 Cb 1.84 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ise h VAL 17 CO 0.23 0.26 -0.44 -0.33 0.02 0.00 0.00 177.57 177.30 1ise h GLU 18 N 0.79 0.00 -0.07 1.57 4.39 -1.37 -2.69 114.58 117.21 1ise h GLU 18 Ca 0.20 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 1ise h GLU 18 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1ise h GLU 18 CO -0.02 0.44 -0.59 0.00 -1.16 0.00 0.00 179.01 177.68 1ise h ALA 19 N 1.56 0.87 -0.37 3.43 0.00 -0.83 -2.32 119.26 121.61 1ise h ALA 19 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1ise h ALA 19 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ise h ALA 19 CO 0.06 0.72 -0.29 0.35 0.00 0.00 0.00 179.25 180.09 1ise h PHE 20 N 0.18 1.00 -0.19 0.00 3.57 -0.94 -2.74 116.94 117.81 1ise h PHE 20 Ca -0.00 -0.28 -0.11 0.00 3.53 0.00 0.00 57.97 61.11 1ise h PHE 20 Cb 1.08 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ise h PHE 20 CO 0.02 1.07 -0.33 0.87 -2.23 0.00 0.00 178.31 177.70 1ise h LYS 21 N 0.64 0.40 -0.37 1.11 1.57 -1.40 -1.70 116.57 116.82 1ise h LYS 21 Ca 0.07 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1ise h LYS 21 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1ise h LYS 21 CO 0.08 0.69 -0.27 1.15 -0.57 0.00 0.00 179.45 180.53 1ise h THR 22 N 0.35 1.28 0.00 -0.16 2.02 -1.35 -1.76 112.91 113.28 1ise h THR 22 Ca 0.04 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.79 1ise h THR 22 Cb 0.76 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ise h THR 22 CO 0.06 0.47 -0.13 0.06 0.37 0.00 0.00 175.52 176.34 1ise h GLN 23 N 0.67 0.00 0.00 6.66 3.07 -1.39 -3.08 115.11 121.04 1ise h GLN 23 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.69 1ise h GLN 23 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.34 1ise h GLN 23 CO 0.07 0.13 -0.65 0.82 0.09 0.00 0.00 178.83 179.29 1ise h ILE 24 N 0.00 1.28 0.00 1.86 1.08 -0.97 -3.12 117.51 117.65 1ise h ILE 24 Ca -0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1ise h ILE 24 Cb 1.08 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1ise h ILE 24 CO 0.02 0.64 0.00 -1.54 -0.69 0.00 0.00 178.15 176.58 1ise n SER 25 N -3.50 0.35 -0.04 1.72 3.41 -0.69 -3.03 113.62 111.84 1ise n SER 25 Ca -0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1ise n SER 25 Cb 0.71 -0.63 0.50 0.00 -0.26 0.00 0.00 64.21 64.53 1ise n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ise n LYS 26 N -1.84 0.23 -3.03 4.33 5.02 -1.18 -4.00 118.16 117.69 1ise n LYS 26 Ca 0.06 -0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1ise n LYS 26 Cb 0.34 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1ise n LYS 26 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ise s ILE 27 N -2.82 4.91 -0.01 -0.18 1.01 -1.17 -5.03 121.20 117.91 1ise s ILE 27 Ca 0.18 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 1ise s ILE 27 Cb 0.19 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1ise s ILE 27 CO 0.56 -0.07 1.05 -0.60 0.00 0.00 0.00 174.94 175.88 1ise s ARG 28 N 2.68 4.50 0.00 2.79 3.52 -1.26 -5.03 118.95 126.14 1ise s ARG 28 Ca 0.29 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.39 1ise s ARG 28 Cb -0.15 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1ise s ARG 28 CO 0.09 -0.17 0.00 0.25 -0.81 0.00 0.00 175.30 174.67 1ise n THR 29 N 4.07 0.00 1.00 4.11 -2.24 -1.26 -5.05 114.28 114.91 1ise n THR 29 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1ise n THR 29 Cb 0.49 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1ise n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ise n GLY 30 N 5.00 -0.97 3.64 3.38 0.00 -1.18 -4.74 105.19 110.32 1ise n GLY 30 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1ise n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ise s ARG 31 N -2.96 2.78 -0.09 1.61 1.70 -1.26 -4.67 118.95 116.07 1ise s ARG 31 Ca 0.09 -0.56 -0.33 0.00 -0.47 0.00 0.00 55.73 54.46 1ise s ARG 31 Cb 0.16 -2.65 -0.11 0.00 -0.57 0.00 0.00 34.95 31.78 1ise s ARG 31 CO 0.82 0.65 1.92 0.00 -1.08 0.00 0.00 175.30 177.62 1ise n ALA 32 N 1.85 1.02 -3.63 7.88 0.00 0.00 -4.95 120.51 122.69 1ise n ALA 32 Ca -0.17 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1ise n ALA 32 Cb 0.53 -2.55 -0.15 0.00 0.00 0.00 0.00 19.45 17.28 1ise n ALA 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ise s SER 33 N 4.44 3.75 0.41 0.00 0.01 -1.26 -4.95 113.70 116.09 1ise s SER 33 Ca 0.93 -1.44 0.25 0.00 1.31 0.00 0.00 55.95 57.00 1ise s SER 33 Cb -0.65 -0.59 1.37 0.00 0.21 0.00 0.00 66.02 66.37 1ise s SER 33 CO 0.50 -0.43 1.75 1.55 0.41 0.00 0.00 173.24 177.02 1ise h PRO 34 N 8.26 0.00 0.00 12.44 0.13 -1.90 -1.83 132.00 149.10 1ise h PRO 34 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ise h PRO 34 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ise h PRO 34 CO 0.45 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.67 1ise n SER 35 N -2.42 0.00 0.21 1.44 2.88 -1.26 -3.27 113.62 111.20 1ise n SER 35 Ca -0.02 0.26 0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1ise n SER 35 Cb 0.11 -0.41 0.29 0.00 -0.75 0.00 0.00 64.21 63.44 1ise n SER 35 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ise h LEU 36 N 0.00 0.00 -3.16 2.46 5.85 -1.46 -3.12 115.31 115.88 1ise h LEU 36 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ise h LEU 36 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ise h LEU 36 CO 0.00 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.46 1ise n LEU 37 N -3.20 4.80 -0.05 2.25 4.77 -1.20 -4.48 117.00 119.87 1ise n LEU 37 Ca 0.02 -2.47 0.07 0.00 -0.03 0.00 0.00 56.01 53.61 1ise n LEU 37 Cb 0.52 -0.58 0.44 0.00 -2.33 0.00 0.00 43.42 41.48 1ise n LEU 37 CO 0.34 0.81 1.18 0.44 -1.33 0.00 0.00 177.39 178.83 1ise h ASP 38 N 4.07 0.46 0.06 -1.43 3.45 -1.71 -2.41 116.42 118.90 1ise h ASP 38 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ise h ASP 38 Cb 1.47 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 1ise h ASP 38 CO 0.24 0.31 -0.06 0.61 -1.57 0.00 0.00 179.24 178.77 1ise n GLY 39 N -1.49 -0.23 3.75 2.75 0.00 -1.26 -4.74 105.19 103.98 1ise n GLY 39 Ca 0.07 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1ise n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ise s ILE 40 N -2.13 2.44 -0.00 -0.61 -1.09 -0.91 -4.92 121.20 113.98 1ise s ILE 40 Ca 0.35 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.19 1ise s ILE 40 Cb 0.21 -3.24 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1ise s ILE 40 CO 0.38 0.07 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.34 1ise s VAL 41 N -0.24 0.98 0.02 2.92 1.01 -1.26 -0.77 120.40 123.06 1ise s VAL 41 Ca 0.59 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1ise s VAL 41 Cb -0.44 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ise s VAL 41 CO 0.48 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 175.00 1ise s VAL 42 N -0.38 0.88 -0.27 2.92 1.01 0.97 -4.88 120.40 120.64 1ise s VAL 42 Ca 0.04 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1ise s VAL 42 Cb -0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1ise s VAL 42 CO -0.00 0.05 1.42 -0.70 0.00 0.00 0.00 175.10 175.87 1ise s GLU 43 N -0.79 3.86 -0.30 2.72 2.12 -1.26 -0.15 118.70 124.91 1ise s GLU 43 Ca 0.01 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.73 1ise s GLU 43 Cb -0.06 -3.94 0.05 0.00 0.26 0.00 0.00 34.13 30.44 1ise s GLU 43 CO 0.00 -1.19 -0.01 -0.47 -0.54 0.00 0.00 175.26 173.04 1ise s TYR 44 N 4.71 3.28 -1.40 5.30 6.14 0.79 -4.70 117.35 131.47 1ise s TYR 44 Ca 0.62 -1.98 -0.02 0.00 0.64 0.00 0.00 57.07 56.33 1ise s TYR 44 Cb -0.20 -2.11 0.02 0.00 0.42 0.00 0.00 41.96 40.09 1ise s TYR 44 CO 0.26 -0.82 0.58 0.66 0.64 0.00 0.00 175.55 176.86 1ise n TYR 45 N 4.58 -1.79 -0.99 4.97 4.01 -1.26 -1.25 117.16 125.43 1ise n TYR 45 Ca -0.13 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 1ise n TYR 45 Cb 0.43 -3.94 0.00 0.00 -0.31 0.00 0.00 39.34 35.52 1ise n TYR 45 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ise n GLY 46 N -1.79 0.76 3.12 2.72 0.00 -1.26 -5.03 105.19 103.72 1ise n GLY 46 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1ise n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ise s THR 47 N -3.09 1.55 -0.22 2.61 2.01 -0.38 -5.08 115.64 113.04 1ise s THR 47 Ca 0.00 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 1ise s THR 47 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1ise s THR 47 CO 0.00 0.45 1.98 -2.84 -0.69 0.00 0.00 174.62 173.52 1ise s PRO 48 N 0.39 3.40 -0.06 4.92 0.02 -1.26 -0.15 135.00 142.26 1ise s PRO 48 Ca -0.13 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.82 1ise s PRO 48 Cb -0.16 -4.25 -0.01 0.00 0.02 0.00 0.00 34.50 30.10 1ise s PRO 48 CO 0.05 -1.79 -0.24 0.99 -0.33 0.00 0.00 177.00 175.68 1ise s THR 49 N 7.01 2.11 0.62 0.99 2.01 0.79 -4.92 115.64 124.26 1ise s THR 49 Ca 0.89 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.66 1ise s THR 49 Cb -0.30 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1ise s THR 49 CO 0.35 0.57 1.28 -2.84 -0.69 0.00 0.00 174.62 173.29 1ise s PRO 50 N -0.14 2.70 0.21 4.92 0.02 -1.26 -0.02 135.00 141.43 1ise s PRO 50 Ca -0.04 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 62.93 1ise s PRO 50 Cb -0.14 -1.91 0.29 0.00 0.02 0.00 0.00 34.50 32.77 1ise s PRO 50 CO 0.04 -1.47 1.77 1.25 -0.33 0.00 0.00 177.00 178.26 1ise h LEU 51 N 0.72 0.39 -1.88 -5.54 5.85 -1.24 -2.00 115.31 111.60 1ise h LEU 51 Ca -0.51 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ise h LEU 51 Cb 1.33 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1ise h LEU 51 CO 0.54 0.23 0.31 0.08 -0.34 0.00 0.00 178.44 179.26 1ise h ARG 52 N 0.54 0.00 -0.00 1.25 0.11 -1.85 0.08 114.38 114.51 1ise h ARG 52 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1ise h ARG 52 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1ise h ARG 52 CO -0.26 0.00 -0.52 1.04 0.10 0.00 0.00 179.97 180.33 1ise n GLN 53 N -2.78 0.09 0.00 0.08 6.02 -0.75 -4.30 117.38 115.74 1ise n GLN 53 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1ise n GLN 53 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1ise n GLN 53 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ise n LEU 54 N -1.40 0.00 0.00 1.08 4.77 -0.10 -4.99 117.00 116.35 1ise n LEU 54 Ca 0.06 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1ise n LEU 54 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1ise n LEU 54 CO 0.35 0.00 0.09 0.00 -1.33 0.00 0.00 177.39 176.49 1ise n ALA 55 N -1.21 -0.08 -3.83 -1.18 0.00 -0.50 0.89 120.51 114.60 1ise n ALA 55 Ca 0.00 -1.37 -0.26 0.00 0.00 0.00 0.00 53.44 51.81 1ise n ALA 55 Cb 0.00 1.10 -0.17 0.00 0.00 0.00 0.00 19.45 20.38 1ise n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ise s SER 56 N -2.78 2.29 -0.28 0.00 0.15 -0.12 -4.46 113.70 108.50 1ise s SER 56 Ca 0.25 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 1ise s SER 56 Cb -0.00 -0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 63.59 1ise s SER 56 CO 0.18 -0.19 0.50 -0.69 1.20 0.00 0.00 173.24 174.24 1ise s VAL 57 N 1.80 5.06 0.36 4.45 1.01 -1.26 -1.79 120.40 130.04 1ise s VAL 57 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1ise s VAL 57 Cb -0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1ise s VAL 57 CO -0.07 0.02 0.12 0.42 0.00 0.00 0.00 175.10 175.59 1ise s THR 58 N 2.31 0.65 -0.23 3.92 -4.23 0.23 -4.90 115.64 113.39 1ise s THR 58 Ca 0.20 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1ise s THR 58 Cb -0.16 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1ise s THR 58 CO 0.10 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.54 1ise s VAL 59 N -3.34 4.17 -0.11 2.29 1.01 -1.26 -1.11 120.40 122.05 1ise s VAL 59 Ca 0.30 -0.22 0.14 0.00 0.00 0.00 0.00 61.98 62.19 1ise s VAL 59 Cb 0.04 -2.93 -0.20 0.00 0.00 0.00 0.00 36.38 33.30 1ise s VAL 59 CO 0.15 0.37 0.34 -1.84 0.00 0.00 0.00 175.10 174.13 1ise n GLU 60 N 4.67 0.77 -3.92 2.72 -0.00 -1.14 -4.95 120.64 118.79 1ise n GLU 60 Ca -0.17 -0.10 -0.10 0.00 -0.00 0.00 0.00 57.16 56.79 1ise n GLU 60 Cb 0.51 -1.29 -0.06 0.00 -0.00 0.00 0.00 31.44 30.60 1ise n GLU 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ise s ASP 61 N -3.35 -0.04 0.02 -1.84 2.15 -1.08 -4.98 116.67 107.54 1ise s ASP 61 Ca -0.03 -0.80 0.23 0.00 0.43 0.00 0.00 52.55 52.38 1ise s ASP 61 Cb 0.09 0.48 0.96 0.00 -0.30 0.00 0.00 42.92 44.15 1ise s ASP 61 CO 0.56 -0.95 1.73 -0.24 -0.17 0.00 0.00 175.17 176.09 1ise n SER 62 N -0.26 0.05 -0.50 -0.34 2.88 -1.26 -3.05 113.62 111.15 1ise n SER 62 Ca -0.07 0.51 0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1ise n SER 62 Cb 0.63 -0.52 0.05 0.00 -0.75 0.00 0.00 64.21 63.62 1ise n SER 62 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ise n ARG 63 N -1.55 0.43 -3.76 -1.46 1.74 -1.26 -0.82 116.66 109.98 1ise n ARG 63 Ca 0.05 -1.66 -0.13 0.00 -0.77 0.00 0.00 57.85 55.35 1ise n ARG 63 Cb 0.27 -0.78 -0.11 0.00 -1.02 0.00 0.00 32.46 30.82 1ise n ARG 63 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ise s THR 64 N -0.95 -0.01 0.32 0.55 2.01 -1.17 -0.39 115.64 116.00 1ise s THR 64 Ca 0.14 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1ise s THR 64 Cb 0.14 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1ise s THR 64 CO -0.01 0.01 0.29 -0.76 -0.69 0.00 0.00 174.62 173.46 1ise s LEU 65 N 0.35 3.68 -0.04 4.42 1.43 0.70 -2.65 118.68 126.58 1ise s LEU 65 Ca -0.02 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ise s LEU 65 Cb -0.03 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1ise s LEU 65 CO -0.01 -0.30 0.01 -0.75 0.23 0.00 0.00 176.35 175.53 1ise s LYS 66 N -3.98 0.31 -0.28 1.70 2.20 -0.26 -1.33 119.74 118.09 1ise s LYS 66 Ca 0.40 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1ise s LYS 66 Cb -0.07 -0.60 0.07 0.00 -1.51 0.00 0.00 37.83 35.73 1ise s LYS 66 CO 0.27 -0.20 -0.04 0.42 -0.36 0.00 0.00 175.35 175.43 1ise s ILE 67 N 1.43 2.05 -0.45 5.43 1.09 -0.40 -0.60 121.20 129.75 1ise s ILE 67 Ca -0.04 -1.78 -0.18 0.00 -1.10 0.00 0.00 60.65 57.55 1ise s ILE 67 Cb -0.13 -2.31 0.04 0.00 -1.06 0.00 0.00 42.46 39.00 1ise s ILE 67 CO -0.03 -0.24 0.49 0.21 -0.10 0.00 0.00 174.94 175.27 1ise s ASN 68 N 1.11 6.20 0.07 3.58 2.47 -0.74 -0.95 114.94 126.68 1ise s ASN 68 Ca -0.02 -0.79 -0.27 0.00 0.42 0.00 0.00 52.86 52.20 1ise s ASN 68 Cb -0.19 -2.24 -0.06 0.00 -1.45 0.00 0.00 41.25 37.31 1ise s ASN 68 CO -0.07 -0.68 0.86 -0.69 -3.72 0.00 0.00 177.10 172.81 1ise s VAL 69 N 2.24 4.63 0.05 -5.21 1.01 0.33 -0.94 120.40 122.50 1ise s VAL 69 Ca 0.12 1.84 -0.26 0.00 0.00 0.00 0.00 61.98 63.69 1ise s VAL 69 Cb -0.18 -4.22 -0.17 0.00 0.00 0.00 0.00 36.38 31.81 1ise s VAL 69 CO 0.13 0.34 1.53 -0.26 0.00 0.00 0.00 175.10 176.83 1ise h PHE 70 N 5.67 -0.22 -3.23 5.22 0.04 0.18 -3.38 116.94 121.23 1ise h PHE 70 Ca -0.43 -0.01 -0.70 0.00 2.80 0.00 0.00 57.97 59.63 1ise h PHE 70 Cb 1.21 0.07 -0.19 0.00 2.20 0.00 0.00 35.95 39.24 1ise h PHE 70 CO 0.65 -0.01 -0.03 0.34 -0.60 0.00 0.00 178.31 178.67 1ise s ASP 71 N -5.13 6.20 0.39 2.17 3.68 -1.26 -4.94 116.67 117.79 1ise s ASP 71 Ca -0.15 -1.06 0.16 0.00 2.13 0.00 0.00 52.55 53.63 1ise s ASP 71 Cb 0.04 -2.27 1.03 0.00 -1.45 0.00 0.00 42.92 40.28 1ise s ASP 71 CO 0.63 -0.86 1.79 -0.09 0.13 0.00 0.00 175.17 176.77 1ise h ARG 72 N 8.96 0.45 0.00 4.34 2.43 -1.93 0.63 114.38 129.27 1ise h ARG 72 Ca -0.28 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1ise h ARG 72 Cb 1.10 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1ise h ARG 72 CO 0.96 0.30 -0.04 0.66 -1.51 0.00 0.00 179.97 180.34 1ise h SER 73 N 0.46 0.00 -0.15 -3.80 4.64 -1.94 -1.01 113.55 111.76 1ise h SER 73 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1ise h SER 73 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ise h SER 73 CO -0.28 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 175.95 1ise n MET 74 N -3.32 1.53 0.12 4.77 2.81 0.22 -4.27 117.12 118.98 1ise n MET 74 Ca -0.02 -0.81 -0.13 0.00 -1.81 0.00 0.00 57.70 54.93 1ise n MET 74 Cb 0.17 -1.33 -0.08 0.00 -0.71 0.00 0.00 33.22 31.27 1ise n MET 74 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ise h SER 75 N 1.55 -0.25 -0.94 7.83 0.87 -1.20 -2.51 113.55 118.91 1ise h SER 75 Ca 0.00 -0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.50 1ise h SER 75 Cb 0.34 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.28 1ise h SER 75 CO 0.00 0.05 0.56 -0.65 -0.53 0.00 0.00 176.83 176.26 1ise h PRO 76 N -0.57 0.86 -0.45 2.24 0.11 -1.80 -0.30 132.00 132.08 1ise h PRO 76 Ca -0.03 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 1ise h PRO 76 Cb 0.42 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1ise h PRO 76 CO 0.05 0.57 -0.26 0.00 -0.21 0.00 0.00 178.00 178.14 1ise h ALA 77 N 1.53 0.64 -0.37 -0.75 0.00 -1.83 -1.05 119.26 117.42 1ise h ALA 77 Ca 0.47 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ise h ALA 77 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ise h ALA 77 CO -0.28 0.66 0.13 0.28 0.00 0.00 0.00 179.25 180.04 1ise h VAL 78 N 0.81 1.20 -0.13 0.00 2.07 -0.90 0.17 116.25 119.48 1ise h VAL 78 Ca 0.09 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1ise h VAL 78 Cb 0.85 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1ise h VAL 78 CO 0.07 0.23 -0.25 -0.08 0.02 0.00 0.00 177.57 177.57 1ise h GLU 79 N 0.45 0.23 0.03 1.57 4.81 -1.02 -2.21 114.58 118.44 1ise h GLU 79 Ca 0.12 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 1ise h GLU 79 Cb 0.23 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.61 1ise h GLU 79 CO -0.01 0.47 -1.05 -0.22 -0.73 0.00 0.00 179.01 177.48 1ise h LYS 80 N 0.21 0.65 0.00 1.92 3.64 -0.83 -2.75 116.57 119.40 1ise h LYS 80 Ca 0.03 -0.74 -0.04 0.00 -1.27 0.00 0.00 60.65 58.63 1ise h LYS 80 Cb 0.56 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1ise h LYS 80 CO 0.04 1.32 -0.18 0.00 -2.27 0.00 0.00 179.45 178.36 1ise h ALA 81 N 0.35 1.57 0.12 5.00 0.00 -0.48 -0.87 119.26 124.95 1ise h ALA 81 Ca -0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1ise h ALA 81 Cb 1.71 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.49 1ise h ALA 81 CO 0.20 0.23 -1.23 0.82 0.00 0.00 0.00 179.25 179.27 1ise h ILE 82 N 0.00 1.37 -0.19 0.00 2.04 -1.40 -3.24 117.51 116.09 1ise h ILE 82 Ca -0.00 -2.67 -0.16 0.00 1.00 0.00 0.00 64.86 63.03 1ise h ILE 82 Cb 0.35 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1ise h ILE 82 CO 0.02 0.80 -0.54 0.24 0.00 0.00 0.00 178.15 178.67 1ise h MET 83 N 0.19 0.56 0.00 2.37 2.86 -1.15 -2.94 114.93 116.82 1ise h MET 83 Ca -0.17 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1ise h MET 83 Cb 1.91 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.61 1ise h MET 83 CO 0.22 0.96 0.00 0.00 1.06 0.00 0.00 176.91 179.15 1ise n ALA 84 N -2.52 1.63 0.61 6.32 0.00 -0.37 -2.53 120.51 123.64 1ise n ALA 84 Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1ise n ALA 84 Cb 0.60 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 1ise n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ise n SER 85 N -1.95 0.61 -3.36 0.00 3.41 -1.11 -4.89 113.62 106.32 1ise n SER 85 Ca 0.02 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1ise n SER 85 Cb 0.20 1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 65.45 1ise n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ise s ASP 86 N -3.62 -1.10 0.00 4.04 3.68 -1.05 -5.01 116.67 113.60 1ise s ASP 86 Ca 0.02 1.06 0.15 0.00 2.13 0.00 0.00 52.55 55.91 1ise s ASP 86 Cb 0.15 2.08 0.67 0.00 -1.45 0.00 0.00 42.92 44.37 1ise s ASP 86 CO 0.88 -0.25 1.47 0.00 0.13 0.00 0.00 175.17 177.39 1ise n LEU 87 N 5.43 0.00 -0.39 -1.34 -0.00 -1.26 -2.45 117.00 116.99 1ise n LEU 87 Ca -0.05 0.44 0.13 0.00 -0.00 0.00 0.00 56.01 56.53 1ise n LEU 87 Cb 0.50 -0.44 0.35 0.00 -0.00 0.00 0.00 43.42 43.83 1ise n LEU 87 CO 0.01 -0.22 0.66 0.61 -0.00 0.00 0.00 177.39 178.46 1ise n GLY 88 N 0.03 -0.24 3.55 1.47 0.00 -1.26 -4.83 105.19 103.91 1ise n GLY 88 Ca 0.05 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1ise n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ise s LEU 89 N -2.33 4.31 -0.72 0.99 1.43 -1.02 -4.72 118.68 116.62 1ise s LEU 89 Ca 0.28 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1ise s LEU 89 Cb 0.20 -2.12 0.18 0.00 0.03 0.00 0.00 46.19 44.47 1ise s LEU 89 CO 0.46 -0.16 0.53 0.20 0.23 0.00 0.00 176.35 177.61 1ise s ASN 90 N 1.73 5.05 1.10 2.29 0.01 -1.26 -4.75 114.94 119.11 1ise s ASN 90 Ca 0.06 -3.71 -0.14 0.00 -0.71 0.00 0.00 52.86 48.36 1ise s ASN 90 Cb -0.17 -1.71 0.24 0.00 0.41 0.00 0.00 41.25 40.03 1ise s ASN 90 CO 0.10 -0.13 1.07 -2.16 -1.51 0.00 0.00 177.10 174.48 1ise s PRO 91 N -1.27 -0.43 -0.12 -0.60 0.04 -1.26 -4.69 135.00 126.67 1ise s PRO 91 Ca 0.24 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 1ise s PRO 91 Cb -0.08 -1.65 0.06 0.00 0.04 0.00 0.00 34.50 32.87 1ise s PRO 91 CO -0.14 -3.29 0.27 1.21 0.04 0.00 0.00 177.00 175.09 1ise s ASN 92 N -3.35 0.07 0.20 6.66 2.47 0.47 -4.96 114.94 116.52 1ise s ASN 92 Ca 0.67 0.59 0.09 0.00 0.42 0.00 0.00 52.86 54.63 1ise s ASN 92 Cb -0.18 0.61 -0.04 0.00 -1.45 0.00 0.00 41.25 40.19 1ise s ASN 92 CO 0.59 -0.21 -0.03 -0.94 -3.72 0.00 0.00 177.10 172.78 1ise s SER 93 N 1.96 4.52 0.00 -4.21 1.04 -1.26 0.76 113.70 116.51 1ise s SER 93 Ca -0.03 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1ise s SER 93 Cb -0.11 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1ise s SER 93 CO -0.09 0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.20 1ise n ALA 94 N -0.30 2.18 -1.00 5.32 0.00 -1.14 -5.01 120.51 120.55 1ise n ALA 94 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ise n ALA 94 Cb 0.56 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1ise n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ise n GLY 95 N 2.66 -0.18 0.37 0.00 0.00 -1.26 -4.95 105.19 101.82 1ise n GLY 95 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1ise n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ise n SER 96 N -0.10 1.63 -4.91 1.61 7.64 -1.26 -4.94 113.62 113.28 1ise n SER 96 Ca 0.00 -1.31 -0.32 0.00 1.01 0.00 0.00 58.87 58.25 1ise n SER 96 Cb 0.00 0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1ise n SER 96 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ise s ASP 97 N -1.35 6.39 -0.22 6.43 1.01 -1.26 -0.51 116.67 127.15 1ise s ASP 97 Ca 0.12 0.35 -0.03 0.00 0.71 0.00 0.00 52.55 53.70 1ise s ASP 97 Cb 0.10 -1.99 0.07 0.00 1.01 0.00 0.00 42.92 42.11 1ise s ASP 97 CO 0.25 0.18 0.06 -0.63 0.21 0.00 0.00 175.17 175.23 1ise s ILE 98 N -1.48 0.48 -0.10 0.77 1.01 -0.13 -2.89 121.20 118.86 1ise s ILE 98 Ca 0.34 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 1ise s ILE 98 Cb -0.13 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1ise s ILE 98 CO 0.25 -0.34 0.88 -0.60 0.00 0.00 0.00 174.94 175.13 1ise s ARG 99 N 1.86 4.41 -0.43 2.79 3.52 0.23 -1.27 118.95 130.05 1ise s ARG 99 Ca 0.02 1.16 0.02 0.00 -0.13 0.00 0.00 55.73 56.80 1ise s ARG 99 Cb -0.17 -3.52 0.12 0.00 -1.56 0.00 0.00 34.95 29.83 1ise s ARG 99 CO -0.14 -0.19 0.20 0.08 -0.81 0.00 0.00 175.30 174.44 1ise s VAL 100 N 1.62 1.76 0.47 7.11 1.01 -0.44 -0.39 120.40 131.54 1ise s VAL 100 Ca 0.43 -2.58 -0.21 0.00 0.00 0.00 0.00 61.98 59.62 1ise s VAL 100 Cb -0.18 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 1ise s VAL 100 CO 0.18 -0.80 1.07 -2.16 0.00 0.00 0.00 175.10 173.39 1ise s PRO 101 N 0.42 3.80 -0.28 2.72 0.04 -1.26 -0.22 135.00 140.22 1ise s PRO 101 Ca 0.16 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.55 1ise s PRO 101 Cb -0.23 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1ise s PRO 101 CO -0.04 -0.45 0.31 -0.51 0.04 0.00 0.00 177.00 176.35 1ise s LEU 102 N -3.30 4.05 0.09 -3.56 2.01 0.48 -4.72 118.68 113.73 1ise s LEU 102 Ca 0.66 0.17 -0.31 0.00 0.01 0.00 0.00 54.13 54.66 1ise s LEU 102 Cb -0.20 -2.32 -0.08 0.00 0.01 0.00 0.00 46.19 43.60 1ise s LEU 102 CO 0.24 -0.15 1.45 -2.84 1.01 0.00 0.00 176.35 176.06 1ise s PRO 103 N 1.97 4.28 0.17 1.29 0.02 -1.26 -4.88 135.00 136.60 1ise s PRO 103 Ca 0.12 2.12 -0.32 0.00 0.02 0.00 0.00 61.00 62.94 1ise s PRO 103 Cb -0.16 -3.35 -0.12 0.00 0.02 0.00 0.00 34.50 30.89 1ise s PRO 103 CO 0.10 -0.52 1.76 -0.35 -0.33 0.00 0.00 177.00 177.66 1ise n PRO 104 N 4.47 2.76 -2.29 5.54 -0.04 -1.26 -4.69 135.00 139.49 1ise n PRO 104 Ca 0.13 1.00 -0.35 0.00 -0.04 0.00 0.00 63.50 64.23 1ise n PRO 104 Cb 0.42 -2.86 -0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1ise n PRO 104 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ise s LEU 105 N 1.73 3.76 0.57 1.53 1.43 -1.26 -5.05 118.68 121.38 1ise s LEU 105 Ca 0.78 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 56.01 1ise s LEU 105 Cb -0.51 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.16 1ise s LEU 105 CO 0.34 -1.17 0.82 0.42 0.23 0.00 0.00 176.35 176.99 1ise s THR 106 N -1.80 3.06 0.41 5.49 -4.23 -1.26 -4.90 115.64 112.40 1ise s THR 106 Ca 0.72 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.90 1ise s THR 106 Cb -0.23 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.61 1ise s THR 106 CO 0.26 -0.16 1.96 -0.08 -0.54 0.00 0.00 174.62 176.07 1ise h GLU 107 N -0.04 0.22 -0.04 3.99 4.57 -1.99 -0.84 114.58 120.45 1ise h GLU 107 Ca -0.44 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 57.52 1ise h GLU 107 Cb 1.28 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1ise h GLU 107 CO 0.56 0.32 -0.76 1.49 -1.18 0.00 0.00 179.01 179.44 1ise h GLU 108 N 0.22 0.27 -0.07 1.92 4.81 -2.00 -2.76 114.58 116.98 1ise h GLU 108 Ca 0.05 -0.24 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 1ise h GLU 108 Cb 0.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ise h GLU 108 CO 0.01 0.91 -0.84 -0.09 -0.73 0.00 0.00 179.01 178.28 1ise h ARG 109 N 0.18 0.54 -0.77 1.92 9.65 -1.80 -1.97 114.38 122.13 1ise h ARG 109 Ca -0.03 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1ise h ARG 109 Cb 1.34 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 30.00 1ise h ARG 109 CO 0.12 1.13 0.47 0.00 2.80 0.00 0.00 179.97 184.49 1ise h ARG 110 N 0.35 1.04 0.15 0.20 3.08 -1.16 0.29 114.38 118.33 1ise h ARG 110 Ca -0.06 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1ise h ARG 110 Cb 1.45 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1ise h ARG 110 CO 0.15 0.73 -0.07 0.87 -1.07 0.00 0.00 179.97 180.58 1ise h LYS 111 N 1.05 -0.20 -0.50 0.04 1.57 -1.44 -0.10 116.57 116.98 1ise h LYS 111 Ca 0.28 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1ise h LYS 111 Cb -0.05 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1ise h LYS 111 CO -0.05 0.04 0.19 -0.44 -0.57 0.00 0.00 179.45 178.61 1ise h ASP 112 N -0.42 0.20 0.43 0.86 5.19 -0.98 -1.27 116.42 120.43 1ise h ASP 112 Ca -0.02 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.34 1ise h ASP 112 Cb 0.33 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1ise h ASP 112 CO 0.03 0.14 -0.48 -0.07 -3.12 0.00 0.00 179.24 175.75 1ise h LEU 113 N 0.37 0.07 -0.56 1.55 3.38 -0.38 -2.91 115.31 116.84 1ise h LEU 113 Ca 0.24 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1ise h LEU 113 Cb 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ise h LEU 113 CO -0.24 0.53 -0.17 0.74 0.09 0.00 0.00 178.44 179.40 1ise h THR 114 N 0.05 1.27 -0.41 0.22 2.02 -0.12 -2.63 112.91 113.30 1ise h THR 114 Ca -0.00 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1ise h THR 114 Cb 0.86 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1ise h THR 114 CO 0.06 0.46 0.22 0.11 0.37 0.00 0.00 175.52 176.75 1ise h LYS 115 N 0.86 0.58 -0.79 6.66 1.57 -1.12 -1.70 116.57 122.63 1ise h LYS 115 Ca 0.12 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ise h LYS 115 Cb 0.74 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1ise h LYS 115 CO 0.06 0.48 0.52 0.82 -0.57 0.00 0.00 179.45 180.76 1ise h ILE 116 N 0.53 1.19 -0.25 1.86 2.04 -1.40 -0.49 117.51 120.99 1ise h ILE 116 Ca 0.14 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1ise h ILE 116 Cb 0.07 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1ise h ILE 116 CO -0.02 0.19 -0.46 0.58 0.00 0.00 0.00 178.15 178.44 1ise h VAL 117 N 1.06 1.30 0.00 1.67 2.07 -1.32 -2.02 116.25 119.01 1ise h VAL 117 Ca 0.30 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1ise h VAL 117 Cb -0.10 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ise h VAL 117 CO -0.07 0.53 -0.30 0.03 0.02 0.00 0.00 177.57 177.78 1ise h ARG 118 N 0.52 0.00 0.07 1.57 3.08 -0.90 -1.91 114.38 116.81 1ise h ARG 118 Ca 0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.81 1ise h ARG 118 Cb 1.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.07 1ise h ARG 118 CO 0.09 0.30 -1.14 0.78 -1.07 0.00 0.00 179.97 178.93 1ise h GLY 119 N 1.32 0.64 2.00 0.04 0.00 -0.78 -2.89 103.07 103.40 1ise h GLY 119 Ca -0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 47.33 45.97 1ise h GLY 119 CO 0.04 1.11 -0.44 0.83 0.00 0.00 0.00 176.54 178.08 1ise h GLU 120 N 0.28 0.00 -0.20 4.80 5.08 -1.17 -2.64 114.58 120.73 1ise h GLU 120 Ca -0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1ise h GLU 120 Cb 1.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1ise h GLU 120 CO 0.21 0.44 -0.10 0.00 -1.00 0.00 0.00 179.01 178.57 1ise h ALA 121 N 1.56 0.28 -0.69 3.43 0.00 -1.35 -0.16 119.26 122.33 1ise h ALA 121 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ise h ALA 121 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ise h ALA 121 CO 0.06 0.12 0.32 1.49 0.00 0.00 0.00 179.25 181.23 1ise h GLU 122 N 0.12 1.00 -0.43 0.00 4.57 -1.42 0.41 114.58 118.82 1ise h GLU 122 Ca 0.04 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1ise h GLU 122 Cb 0.59 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1ise h GLU 122 CO 0.03 0.78 -0.14 0.37 -1.18 0.00 0.00 179.01 178.87 1ise h GLN 123 N 0.99 0.80 -0.14 1.92 4.15 -1.35 0.09 115.11 121.57 1ise h GLN 123 Ca 0.24 -0.28 -0.16 0.00 0.77 0.00 0.00 58.65 59.22 1ise h GLN 123 Cb 0.13 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ise h GLN 123 CO -0.03 0.90 -0.57 0.00 -1.93 0.00 0.00 178.83 177.20 1ise h ALA 124 N 1.12 0.75 -0.45 3.38 0.00 -0.02 -2.26 119.26 121.78 1ise h ALA 124 Ca 0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1ise h ALA 124 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ise h ALA 124 CO 0.04 0.70 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 1ise h ARG 125 N 0.34 0.94 -0.21 0.00 3.08 0.16 -2.46 114.38 116.23 1ise h ARG 125 Ca 0.00 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 1ise h ARG 125 Cb 1.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1ise h ARG 125 CO 0.10 1.07 -0.30 0.28 -1.07 0.00 0.00 179.97 180.04 1ise h VAL 126 N 0.81 1.28 -0.56 2.04 2.07 -0.89 -2.38 116.25 118.62 1ise h VAL 126 Ca 0.10 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 1ise h VAL 126 Cb 0.80 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1ise h VAL 126 CO 0.07 0.42 -0.04 0.00 0.02 0.00 0.00 177.57 178.04 1ise h ALA 127 N 1.32 0.76 -0.66 1.67 0.00 -1.23 -1.18 119.26 119.94 1ise h ALA 127 Ca 0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1ise h ALA 127 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ise h ALA 127 CO 0.06 0.62 0.15 0.28 0.00 0.00 0.00 179.25 180.35 1ise h VAL 128 N 0.89 1.26 -0.36 0.00 2.07 -1.24 -1.25 116.25 117.63 1ise h VAL 128 Ca 0.15 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1ise h VAL 128 Cb 0.60 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ise h VAL 128 CO 0.04 0.37 -0.02 0.03 0.02 0.00 0.00 177.57 178.00 1ise h ARG 129 N 1.00 0.66 -0.18 1.57 3.08 -1.27 -1.79 114.38 117.45 1ise h ARG 129 Ca 0.21 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ise h ARG 129 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1ise h ARG 129 CO 0.00 0.78 0.08 -0.91 -1.07 0.00 0.00 179.97 178.86 1ise h ASN 130 N 0.47 0.21 -0.34 7.04 2.35 -1.00 0.75 115.58 125.06 1ise h ASN 130 Ca 0.10 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.68 1ise h ASN 130 Cb 0.50 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1ise h ASN 130 CO 0.02 0.19 -0.40 0.58 -1.65 0.00 0.00 177.43 176.17 1ise h VAL 131 N 0.24 1.28 -0.30 2.81 2.07 -0.85 -2.11 116.25 119.39 1ise h VAL 131 Ca 0.06 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 65.83 1ise h VAL 131 Cb 0.03 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ise h VAL 131 CO -0.01 0.52 -0.51 1.23 0.02 0.00 0.00 177.57 178.82 1ise h GLY 132 N 0.66 0.93 1.05 2.17 0.00 -0.27 -2.61 103.07 105.00 1ise h GLY 132 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 47.33 46.33 1ise h GLY 132 CO 0.10 0.95 0.62 -0.09 0.00 0.00 0.00 176.54 178.12 1ise h ARG 133 N 0.66 1.27 0.00 4.80 2.43 0.51 -1.41 114.38 122.65 1ise h ARG 133 Ca 0.02 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 1ise h ARG 133 Cb 1.11 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1ise h ARG 133 CO 0.11 0.85 -0.65 0.38 -1.51 0.00 0.00 179.97 179.16 1ise h ASP 134 N 1.31 0.00 0.31 -3.80 3.04 -1.33 -1.53 116.42 114.41 1ise h ASP 134 Ca 0.35 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 54.02 1ise h ASP 134 Cb -0.13 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.15 1ise h ASP 134 CO -0.07 0.65 -0.47 0.00 -2.04 0.00 0.00 179.24 177.31 1ise h ALA 135 N 1.35 1.06 -0.07 4.15 0.00 -1.00 -2.22 119.26 122.53 1ise h ALA 135 Ca -0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 1ise h ALA 135 Cb 1.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ise h ALA 135 CO 0.08 0.63 -0.90 -0.91 0.00 0.00 0.00 179.25 178.15 1ise h ASN 136 N 0.16 0.85 -0.38 0.00 -0.26 -1.05 -2.71 115.58 112.20 1ise h ASN 136 Ca 0.01 -0.62 -0.01 0.00 -0.56 0.00 0.00 56.30 55.11 1ise h ASN 136 Cb 0.89 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 1ise h ASN 136 CO 0.07 1.42 0.20 0.44 -1.06 0.00 0.00 177.43 178.50 1ise h ASP 137 N 0.43 0.52 -0.30 5.81 3.45 -1.07 0.16 116.42 125.42 1ise h ASP 137 Ca -0.09 -0.04 -0.18 0.00 0.43 0.00 0.00 57.03 57.16 1ise h ASP 137 Cb 1.54 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 40.18 1ise h ASP 137 CO 0.18 0.44 -0.50 0.11 -1.57 0.00 0.00 179.24 177.90 1ise h LYS 138 N 0.59 0.89 -0.34 3.56 1.57 -1.35 -2.40 116.57 119.08 1ise h LYS 138 Ca 0.15 -0.53 -0.17 0.00 -1.87 0.00 0.00 60.65 58.23 1ise h LYS 138 Cb 0.06 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ise h LYS 138 CO -0.02 1.17 -0.43 0.28 -0.57 0.00 0.00 179.45 179.88 1ise h VAL 139 N 0.69 1.27 -0.54 0.50 2.07 -1.07 -2.87 116.25 116.32 1ise h VAL 139 Ca 0.03 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1ise h VAL 139 Cb 1.10 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1ise h VAL 139 CO 0.11 0.53 0.35 0.50 0.02 0.00 0.00 177.57 179.08 1ise h LYS 140 N 0.70 0.71 -0.62 1.57 1.63 -0.67 -1.48 116.57 118.41 1ise h LYS 140 Ca 0.04 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1ise h LYS 140 Cb 1.03 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 1ise h LYS 140 CO 0.10 0.48 0.24 0.00 -3.45 0.00 0.00 179.45 176.82 1ise h ALA 141 N 1.66 0.81 -0.67 5.00 0.00 -1.22 -0.23 119.26 124.60 1ise h ALA 141 Ca 0.20 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ise h ALA 141 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1ise h ALA 141 CO -0.04 0.43 0.15 -0.07 0.00 0.00 0.00 179.25 179.73 1ise h LEU 142 N 0.87 1.02 -0.94 0.00 3.38 -1.11 -2.42 115.31 116.12 1ise h LEU 142 Ca 0.21 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1ise h LEU 142 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ise h LEU 142 CO -0.02 0.99 -0.21 0.25 0.09 0.00 0.00 178.44 179.54 1ise h LEU 143 N 1.02 0.53 -2.29 1.67 5.85 -0.94 -1.99 115.31 119.15 1ise h LEU 143 Ca 0.21 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ise h LEU 143 Cb 0.37 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1ise h LEU 143 CO 0.00 0.75 0.00 0.11 -0.34 0.00 0.00 178.44 178.96 1ise h LYS 144 N 0.48 0.00 0.00 1.25 1.57 -0.54 -3.37 116.57 115.95 1ise h LYS 144 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ise h LYS 144 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ise h LYS 144 CO 0.04 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 1ise n ASP 145 N -2.98 0.00 0.00 0.86 8.00 -0.77 -5.07 116.55 116.59 1ise n ASP 145 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ise n ASP 145 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1ise n ASP 145 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ise n LYS 146 N 0.00 0.00 -0.34 -1.24 2.85 -1.11 -4.97 118.16 113.35 1ise n LYS 146 Ca 0.00 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.42 1ise n LYS 146 Cb 0.00 0.00 0.36 0.00 -0.65 0.00 0.00 35.03 34.74 1ise n LYS 146 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ise h GLU 147 N 0.00 0.56 -6.14 -1.58 5.08 -1.90 -3.41 114.58 107.20 1ise h GLU 147 Ca 0.00 -0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.64 1ise h GLU 147 Cb 0.00 -0.13 -0.18 0.00 0.50 0.00 0.00 28.75 28.94 1ise h GLU 147 CO 0.00 0.37 -0.68 0.42 -1.00 0.00 0.00 179.01 178.12 1ise s ILE 148 N -5.81 3.81 0.64 3.13 1.01 -1.24 -5.04 121.20 117.70 1ise s ILE 148 Ca -0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1ise s ILE 148 Cb 0.26 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 40.22 1ise s ILE 148 CO 0.79 0.57 0.91 -0.44 0.00 0.00 0.00 174.94 176.77 1ise s SER 149 N -0.91 4.90 0.05 3.58 0.01 -1.26 -4.44 113.70 115.63 1ise s SER 149 Ca 0.13 0.08 0.19 0.00 1.31 0.00 0.00 55.95 57.66 1ise s SER 149 Cb -0.11 -0.78 0.79 0.00 0.21 0.00 0.00 66.02 66.13 1ise s SER 149 CO 0.02 -1.46 1.59 1.21 0.41 0.00 0.00 173.24 175.02 1ise n GLU 150 N -2.66 0.04 0.06 12.44 2.13 -1.26 -2.37 120.64 129.02 1ise n GLU 150 Ca 0.09 0.23 -0.23 0.00 0.66 0.00 0.00 57.16 57.92 1ise n GLU 150 Cb 0.60 -1.57 -0.15 0.00 0.27 0.00 0.00 31.44 30.60 1ise n GLU 150 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1ise h ASP 151 N 0.00 0.56 -0.20 4.31 3.58 -1.99 -3.07 116.42 119.61 1ise h ASP 151 Ca 0.00 -0.92 -0.01 0.00 0.42 0.00 0.00 57.03 56.52 1ise h ASP 151 Cb 0.33 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1ise h ASP 151 CO 0.00 1.76 0.09 0.44 -2.88 0.00 0.00 179.24 178.64 1ise h ASP 152 N 0.01 0.27 -0.25 2.28 3.32 -1.89 -1.97 116.42 118.20 1ise h ASP 152 Ca -0.34 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1ise h ASP 152 Cb 2.02 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.47 1ise h ASP 152 CO 0.15 0.35 0.04 -0.78 -1.72 0.00 0.00 179.24 177.27 1ise h ASP 153 N 0.18 -0.01 -0.51 6.45 3.58 -1.61 0.13 116.42 124.63 1ise h ASP 153 Ca 0.07 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1ise h ASP 153 Cb 0.16 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1ise h ASP 153 CO -0.01 0.03 0.29 0.08 -2.88 0.00 0.00 179.24 176.76 1ise h ARG 154 N 0.13 0.72 -0.35 0.28 0.11 -1.45 -0.96 114.38 112.87 1ise h ARG 154 Ca 0.11 -0.07 -0.14 0.00 0.10 0.00 0.00 59.98 59.99 1ise h ARG 154 Cb 0.12 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1ise h ARG 154 CO -0.16 0.53 -0.32 0.00 0.10 0.00 0.00 179.97 180.13 1ise h ARG 155 N 0.73 0.83 -0.87 0.08 -0.00 -0.55 -2.65 114.38 111.95 1ise h ARG 155 Ca 0.19 -0.43 -0.02 0.00 -0.50 0.00 0.00 59.98 59.22 1ise h ARG 155 Cb 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 29.95 1ise h ARG 155 CO -0.03 1.07 0.47 1.03 0.00 0.00 0.00 179.97 182.51 1ise h SER 156 N 0.62 1.10 -0.89 7.04 0.87 -0.12 -0.89 113.55 121.28 1ise h SER 156 Ca 0.06 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1ise h SER 156 Cb 0.90 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1ise h SER 156 CO 0.08 0.89 0.52 1.56 -0.53 0.00 0.00 176.83 179.34 1ise h GLN 157 N 1.22 1.23 0.30 2.24 4.20 -1.10 0.60 115.11 123.80 1ise h GLN 157 Ca 0.31 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1ise h GLN 157 Cb 0.04 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1ise h GLN 157 CO -0.05 0.88 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.41 1ise h ASP 158 N 1.24 -0.34 -0.91 1.46 5.19 -1.02 -0.27 116.42 121.78 1ise h ASP 158 Ca 0.32 -0.16 0.09 0.00 -0.62 0.00 0.00 57.03 56.65 1ise h ASP 158 Cb -0.02 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 39.51 1ise h ASP 158 CO -0.06 -0.00 0.56 -0.78 -3.12 0.00 0.00 179.24 175.84 1ise h ASP 159 N -0.70 0.85 -0.48 6.45 1.82 -1.01 0.67 116.42 124.03 1ise h ASP 159 Ca -0.04 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1ise h ASP 159 Cb 0.48 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1ise h ASP 159 CO 0.07 0.50 -0.13 0.58 -1.61 0.00 0.00 179.24 178.65 1ise h VAL 160 N 0.96 1.27 -0.78 2.25 2.07 -0.83 -1.80 116.25 119.38 1ise h VAL 160 Ca 0.42 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1ise h VAL 160 Cb 0.30 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1ise h VAL 160 CO -0.22 0.44 0.39 -0.61 0.02 0.00 0.00 177.57 177.59 1ise h GLN 161 N 0.85 1.12 -0.22 1.57 5.75 0.35 -1.85 115.11 122.68 1ise h GLN 161 Ca 0.13 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1ise h GLN 161 Cb 0.68 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1ise h GLN 161 CO 0.05 0.85 0.09 0.87 -2.65 0.00 0.00 178.83 178.04 1ise h LYS 162 N 1.11 0.33 -0.88 1.69 1.57 -0.57 -1.88 116.57 117.93 1ise h LYS 162 Ca 0.27 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1ise h LYS 162 Cb 0.10 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1ise h LYS 162 CO -0.04 0.38 0.57 -0.07 -0.57 0.00 0.00 179.45 179.73 1ise h LEU 163 N 0.20 0.85 -0.10 2.94 3.38 -0.92 -0.03 115.31 121.63 1ise h LEU 163 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ise h LEU 163 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ise h LEU 163 CO -0.01 0.53 -0.01 0.74 0.09 0.00 0.00 178.44 179.78 1ise h THR 164 N 0.95 1.27 -0.57 0.22 2.02 -1.05 -1.85 112.91 113.90 1ise h THR 164 Ca 0.39 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1ise h THR 164 Cb 0.28 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1ise h THR 164 CO -0.15 0.25 0.24 0.44 0.37 0.00 0.00 175.52 176.67 1ise h ASP 165 N -0.12 0.75 -0.38 4.18 3.32 -0.82 0.13 116.42 123.48 1ise h ASP 165 Ca 0.03 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1ise h ASP 165 Cb 0.39 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ise h ASP 165 CO 0.01 0.66 -0.05 0.00 -1.72 0.00 0.00 179.24 178.14 1ise h ALA 166 N 1.45 0.52 -0.15 3.45 0.00 -0.92 -1.85 119.26 121.77 1ise h ALA 166 Ca 0.20 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1ise h ALA 166 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ise h ALA 166 CO -0.02 0.34 -0.48 0.00 0.00 0.00 0.00 179.25 179.09 1ise h ALA 167 N 0.85 0.26 0.00 0.00 0.00 -1.03 -2.94 119.26 116.39 1ise h ALA 167 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ise h ALA 167 Cb 0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ise h ALA 167 CO 0.03 0.42 -0.03 0.82 0.00 0.00 0.00 179.25 180.48 1ise h ILE 168 N 0.23 0.62 -0.27 0.00 2.04 -0.74 -0.88 117.51 118.50 1ise h ILE 168 Ca -0.02 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 1ise h ILE 168 Cb 1.10 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1ise h ILE 168 CO 0.10 0.03 -0.47 0.11 0.00 0.00 0.00 178.15 177.93 1ise h LYS 169 N 0.00 0.72 0.00 2.37 1.79 -1.16 -2.15 116.57 118.15 1ise h LYS 169 Ca -0.00 -0.41 -0.08 0.00 -2.18 0.00 0.00 60.65 57.98 1ise h LYS 169 Cb 0.08 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1ise h LYS 169 CO 0.00 1.03 -0.38 0.87 -1.08 0.00 0.00 179.45 179.90 1ise h LYS 170 N 0.58 0.00 0.01 3.15 1.57 -1.07 -1.69 116.57 119.11 1ise h LYS 170 Ca 0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 1ise h LYS 170 Cb 1.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.35 1ise h LYS 170 CO 0.10 0.38 -1.03 0.82 -0.57 0.00 0.00 179.45 179.14 1ise h ILE 171 N 0.00 1.31 -0.06 1.86 2.04 -1.26 -2.08 117.51 119.33 1ise h ILE 171 Ca -0.00 -2.30 -0.12 0.00 1.00 0.00 0.00 64.86 63.44 1ise h ILE 171 Cb 0.73 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1ise h ILE 171 CO 0.05 0.71 -0.50 -0.33 0.00 0.00 0.00 178.15 178.08 1ise h GLU 172 N 0.35 0.15 -0.13 2.37 4.39 -1.21 0.28 114.58 120.78 1ise h GLU 172 Ca -0.12 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 1ise h GLU 172 Cb 1.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1ise h GLU 172 CO 0.20 0.61 -0.52 0.00 -1.16 0.00 0.00 179.01 178.14 1ise h ALA 173 N 1.37 0.24 -0.56 3.43 0.00 -1.32 0.27 119.26 122.69 1ise h ALA 173 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1ise h ALA 173 Cb 0.92 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ise h ALA 173 CO 0.07 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 1ise h ALA 174 N 0.51 0.78 -0.10 0.00 0.00 -1.28 -1.36 119.26 117.81 1ise h ALA 174 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ise h ALA 174 Cb 1.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ise h ALA 174 CO 0.11 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.33 1ise h LEU 175 N 0.93 0.14 -0.44 0.00 6.46 -0.91 -1.43 115.31 120.06 1ise h LEU 175 Ca 0.15 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1ise h LEU 175 Cb 0.66 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 1ise h LEU 175 CO 0.05 0.25 0.21 0.00 -0.62 0.00 0.00 178.44 178.33 1ise h ALA 176 N 0.89 0.54 -0.56 1.25 0.00 -0.79 0.33 119.26 120.93 1ise h ALA 176 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ise h ALA 176 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ise h ALA 176 CO -0.00 -0.15 0.37 -0.44 0.00 0.00 0.00 179.25 179.03 1ise h ASP 177 N 0.43 0.64 -0.62 0.00 3.32 -1.11 -0.52 116.42 118.54 1ise h ASP 177 Ca 0.19 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1ise h ASP 177 Cb 0.11 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1ise h ASP 177 CO -0.14 0.46 0.16 0.50 -1.72 0.00 0.00 179.24 178.50 1ise h LYS 178 N 0.75 1.02 -0.33 3.56 1.63 -0.77 -2.20 116.57 120.24 1ise h LYS 178 Ca 0.20 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1ise h LYS 178 Cb -0.08 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1ise h LYS 178 CO -0.05 0.90 0.14 0.93 -3.45 0.00 0.00 179.45 177.93 1ise h GLU 179 N 0.97 0.48 -0.61 1.90 5.08 -0.41 -2.27 114.58 119.72 1ise h GLU 179 Ca 0.21 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1ise h GLU 179 Cb 0.34 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1ise h GLU 179 CO 0.00 0.46 0.34 0.00 -1.00 0.00 0.00 179.01 178.81 1ise h ALA 180 N 0.99 0.81 -0.31 3.43 0.00 -0.85 -2.10 119.26 121.23 1ise h ALA 180 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ise h ALA 180 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ise h ALA 180 CO -0.01 0.02 -0.03 1.49 0.00 0.00 0.00 179.25 180.72 1ise h GLU 181 N 0.64 0.49 -0.18 0.00 4.81 -1.19 -1.48 114.58 117.67 1ise h GLU 181 Ca 0.27 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1ise h GLU 181 Cb 0.14 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ise h GLU 181 CO -0.16 0.54 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.53 1ise h LEU 182 N 0.47 0.37 -0.14 1.64 3.38 -0.80 -2.76 115.31 117.47 1ise h LEU 182 Ca 0.10 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1ise h LEU 182 Cb 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ise h LEU 182 CO 0.01 0.67 -0.03 0.24 0.09 0.00 0.00 178.44 179.43 1ise h MET 183 N 0.07 0.00 0.00 1.13 2.86 -1.37 -3.23 114.93 114.39 1ise h MET 183 Ca 0.04 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1ise h MET 183 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1ise h MET 183 CO 0.02 0.03 -0.65 1.96 1.06 0.00 0.00 176.91 179.33 1ise h GLN 184 N 0.00 0.00 0.00 1.72 4.20 -1.28 -3.52 115.11 116.23 1ise h GLN 184 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ise h GLN 184 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ise h GLN 184 CO 0.00 0.22 0.00 1.97 -0.67 0.00 0.00 178.83 180.35