#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kht s LYS 4 N 0.00 4.44 -0.26 3.52 2.20 -1.26 -4.87 119.74 123.50 1kht s LYS 4 Ca 0.00 1.83 -0.08 0.00 -0.36 0.00 0.00 55.97 57.36 1kht s LYS 4 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1kht s LYS 4 CO 0.00 -0.23 0.10 0.08 -0.36 0.00 0.00 175.35 174.94 1kht s VAL 5 N 0.79 4.50 -0.09 4.02 1.01 -1.26 -1.29 120.40 128.07 1kht s VAL 5 Ca 0.58 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1kht s VAL 5 Cb -0.31 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1kht s VAL 5 CO 0.31 0.28 -0.23 -0.69 0.00 0.00 0.00 175.10 174.77 1kht s VAL 6 N 1.63 2.20 -0.25 2.92 1.01 0.15 -0.78 120.40 127.29 1kht s VAL 6 Ca 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1kht s VAL 6 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1kht s VAL 6 CO 0.05 0.56 0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1kht s VAL 7 N 0.14 5.02 -0.21 2.92 1.01 -0.00 0.10 120.40 129.38 1kht s VAL 7 Ca -0.12 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1kht s VAL 7 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1kht s VAL 7 CO 0.07 0.32 -0.01 -0.69 0.00 0.00 0.00 175.10 174.78 1kht s VAL 8 N 1.42 3.79 0.37 2.92 1.01 0.21 0.37 120.40 130.48 1kht s VAL 8 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1kht s VAL 8 Cb -0.15 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1kht s VAL 8 CO 0.07 0.41 0.06 0.42 0.00 0.00 0.00 175.10 176.06 1kht s THR 9 N 1.24 1.18 0.00 3.92 -4.23 0.31 -1.20 115.64 116.85 1kht s THR 9 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1kht s THR 9 Cb -0.15 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1kht s THR 9 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1kht n GLY 10 N -0.82 3.66 3.74 3.99 0.00 -1.26 -2.09 105.19 112.41 1kht n GLY 10 Ca -0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1kht n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kht s VAL 11 N -1.54 2.88 0.25 1.61 -7.23 -1.26 -4.87 120.40 110.22 1kht s VAL 11 Ca 0.00 0.30 -0.31 0.00 -1.81 0.00 0.00 61.98 60.16 1kht s VAL 11 Cb 0.00 -2.66 -0.12 0.00 0.56 0.00 0.00 36.38 34.16 1kht s VAL 11 CO 0.00 -0.35 1.67 -2.84 -0.31 0.00 0.00 175.10 173.27 1kht s PRO 12 N -4.69 4.12 0.00 4.82 0.02 -1.26 -2.01 135.00 136.01 1kht s PRO 12 Ca 0.64 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.27 1kht s PRO 12 Cb -0.20 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1kht s PRO 12 CO 0.54 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 1kht n GLY 13 N 3.21 0.33 0.07 0.52 0.00 -1.26 -4.93 105.19 103.13 1kht n GLY 13 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1kht n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kht n VAL 14 N -2.00 0.39 -2.19 1.61 3.14 -0.85 -4.86 118.33 113.57 1kht n VAL 14 Ca 0.00 -0.21 -0.05 0.00 -2.96 0.00 0.00 64.34 61.11 1kht n VAL 14 Cb 0.00 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1kht n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1kht n GLY 15 N 1.36 0.20 0.28 7.55 0.00 -1.26 -4.87 105.19 108.45 1kht n GLY 15 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1kht n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kht h SER 16 N -0.09 0.96 0.17 1.61 4.64 -1.87 -1.59 113.55 117.37 1kht h SER 16 Ca -0.13 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1kht h SER 16 Cb 1.09 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1kht h SER 16 CO 0.15 1.15 -0.08 0.74 -0.87 0.00 0.00 176.83 177.91 1kht h THR 17 N 0.80 0.94 -0.63 2.95 2.02 -1.92 -1.78 112.91 115.29 1kht h THR 17 Ca 0.10 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1kht h THR 17 Cb 0.81 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1kht h THR 17 CO 0.07 0.14 0.27 0.71 0.37 0.00 0.00 175.52 177.08 1kht h THR 18 N -0.53 1.23 -0.46 3.16 1.35 -1.98 -1.52 112.91 114.17 1kht h THR 18 Ca -0.02 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1kht h THR 18 Cb 0.40 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1kht h THR 18 CO 0.04 0.28 0.30 0.28 -0.25 0.00 0.00 175.52 176.16 1kht h SER 19 N 0.88 0.53 -0.67 5.36 0.02 -1.31 -1.90 113.55 116.46 1kht h SER 19 Ca 0.21 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1kht h SER 19 Cb 0.18 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1kht h SER 19 CO -0.02 0.40 0.41 0.28 -1.14 0.00 0.00 176.83 176.76 1kht h SER 20 N 0.62 0.81 -0.09 3.07 0.02 -1.11 -2.43 113.55 114.43 1kht h SER 20 Ca 0.17 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1kht h SER 20 Cb -0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1kht h SER 20 CO -0.03 0.63 0.05 1.56 -1.14 0.00 0.00 176.83 177.90 1kht h GLN 21 N 0.92 0.13 -0.75 3.45 4.20 -0.91 0.60 115.11 122.74 1kht h GLN 21 Ca 0.24 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.04 1kht h GLN 21 Cb -0.03 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.64 1kht h GLN 21 CO -0.05 0.16 0.38 -0.07 -0.67 0.00 0.00 178.83 178.58 1kht h LEU 22 N 0.06 0.48 -0.69 1.46 3.38 -1.23 0.45 115.31 119.22 1kht h LEU 22 Ca 0.03 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1kht h LEU 22 Cb 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1kht h LEU 22 CO -0.01 0.25 0.15 0.00 0.09 0.00 0.00 178.44 178.93 1kht h ALA 23 N 1.47 0.92 0.00 1.53 0.00 -0.94 -2.09 119.26 120.14 1kht h ALA 23 Ca 0.38 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1kht h ALA 23 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kht h ALA 23 CO -0.30 0.65 -0.46 0.52 0.00 0.00 0.00 179.25 179.66 1kht h MET 24 N 1.05 0.00 0.03 0.00 2.86 0.29 -2.01 114.93 117.16 1kht h MET 24 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1kht h MET 24 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1kht h MET 24 CO 0.01 0.46 -0.02 -0.44 1.06 0.00 0.00 176.91 177.98 1kht h ASP 25 N 0.00 -0.04 -0.74 1.22 3.32 -0.68 -0.48 116.42 119.03 1kht h ASP 25 Ca -0.00 -0.36 0.17 0.00 0.02 0.00 0.00 57.03 56.86 1kht h ASP 25 Cb 0.92 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1kht h ASP 25 CO 0.06 0.34 0.50 0.78 -1.72 0.00 0.00 179.24 179.21 1kht h ASN 26 N -0.43 0.23 0.90 6.45 4.21 -1.18 0.79 115.58 126.54 1kht h ASN 26 Ca -0.00 0.02 -0.23 0.00 1.21 0.00 0.00 56.30 57.29 1kht h ASN 26 Cb 0.40 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1kht h ASN 26 CO 0.01 0.11 -1.07 -0.07 -1.29 0.00 0.00 177.43 175.12 1kht h LEU 27 N 0.24 0.12 -0.15 1.61 3.38 -1.14 -3.28 115.31 116.09 1kht h LEU 27 Ca 0.36 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1kht h LEU 27 Cb 1.07 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1kht h LEU 27 CO -0.08 1.10 -0.07 -0.09 0.09 0.00 0.00 178.44 179.39 1kht h ARG 28 N 0.02 -0.05 -1.78 1.13 2.43 0.85 -0.31 114.38 116.67 1kht h ARG 28 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kht h ARG 28 Cb 1.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 1kht h ARG 28 CO 0.15 -0.04 0.00 1.63 -1.51 0.00 0.00 179.97 180.20 1kht n LYS 29 N -5.21 0.56 0.00 0.20 5.02 -0.89 -1.39 118.16 116.46 1kht n LYS 29 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1kht n LYS 29 Cb 0.14 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1kht n LYS 29 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1kht n GLU 30 N 1.33 0.00 0.00 1.97 2.13 -0.16 -5.03 120.64 120.87 1kht n GLU 30 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1kht n GLU 30 Cb 0.28 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 31.87 1kht n GLU 30 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kht n GLY 31 N 0.00 2.46 3.59 8.31 0.00 -0.48 -5.06 105.19 114.01 1kht n GLY 31 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1kht n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kht s VAL 32 N -2.52 5.03 -0.27 1.61 1.01 -0.97 -4.99 120.40 119.31 1kht s VAL 32 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1kht s VAL 32 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1kht s VAL 32 CO 0.00 -0.09 -0.02 0.20 0.00 0.00 0.00 175.10 175.19 1kht s ASN 33 N 1.67 4.58 -0.15 3.32 -0.87 -1.26 -2.60 114.94 119.64 1kht s ASN 33 Ca 0.20 -0.87 -0.09 0.00 -1.57 0.00 0.00 52.86 50.54 1kht s ASN 33 Cb -0.15 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.31 1kht s ASN 33 CO 0.12 -0.16 0.15 -0.31 -2.57 0.00 0.00 177.10 174.33 1kht s TYR 34 N 1.36 3.52 -0.35 2.20 1.51 -1.26 -3.73 117.35 120.61 1kht s TYR 34 Ca 0.00 0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 56.35 1kht s TYR 34 Cb -0.17 -2.05 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1kht s TYR 34 CO -0.02 0.54 0.51 0.21 -1.11 0.00 0.00 175.55 175.68 1kht s LYS 35 N -0.43 3.61 -0.20 -0.62 2.20 -0.48 -4.91 119.74 118.90 1kht s LYS 35 Ca 0.13 -0.18 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 1kht s LYS 35 Cb -0.12 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1kht s LYS 35 CO 0.02 -0.65 0.47 1.41 -0.36 0.00 0.00 175.35 176.24 1kht s MET 36 N 2.38 4.18 0.05 4.03 -2.45 -1.26 -1.00 119.30 125.23 1kht s MET 36 Ca 0.18 0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.97 1kht s MET 36 Cb -0.15 -3.55 -0.03 0.00 1.25 0.00 0.00 34.83 32.35 1kht s MET 36 CO 0.13 -0.10 -0.07 0.14 1.05 0.00 0.00 175.02 176.17 1kht s VAL 37 N 1.49 0.55 -0.16 10.11 -7.23 -0.30 -4.98 120.40 119.89 1kht s VAL 37 Ca 0.22 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 59.01 1kht s VAL 37 Cb -0.15 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1kht s VAL 37 CO 0.09 -0.49 0.28 -0.55 -0.31 0.00 0.00 175.10 174.13 1kht s SER 38 N -1.87 6.43 0.28 4.85 0.15 -1.26 0.46 113.70 122.75 1kht s SER 38 Ca -0.06 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.09 1kht s SER 38 Cb -0.07 -2.18 0.41 0.00 -1.71 0.00 0.00 66.02 62.48 1kht s SER 38 CO -0.01 0.12 1.84 0.15 1.20 0.00 0.00 173.24 176.54 1kht h PHE 39 N 6.57 0.86 -0.61 3.44 3.04 -1.57 -1.24 116.94 127.43 1kht h PHE 39 Ca -0.42 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.38 1kht h PHE 39 Cb 1.17 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1kht h PHE 39 CO 0.61 0.70 0.05 0.78 -2.02 0.00 0.00 178.31 178.43 1kht h GLY 40 N 0.97 1.10 0.98 2.40 0.00 -1.94 -1.28 103.07 105.29 1kht h GLY 40 Ca 0.18 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1kht h GLY 40 CO -0.01 0.70 0.10 1.76 0.00 0.00 0.00 176.54 179.09 1kht h SER 41 N 0.95 0.76 -0.79 0.19 0.02 -1.80 -1.91 113.55 110.97 1kht h SER 41 Ca 0.18 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1kht h SER 41 Cb 0.48 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1kht h SER 41 CO 0.02 0.81 0.46 0.58 -1.14 0.00 0.00 176.83 177.56 1kht h VAL 42 N 0.67 1.23 -0.54 2.27 2.07 -1.00 0.04 116.25 121.00 1kht h VAL 42 Ca 0.15 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1kht h VAL 42 Cb 0.36 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1kht h VAL 42 CO 0.01 0.25 0.26 0.24 0.02 0.00 0.00 177.57 178.34 1kht h MET 43 N 1.11 0.78 -0.35 1.57 2.86 -0.86 -1.45 114.93 118.60 1kht h MET 43 Ca 0.29 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1kht h MET 43 Cb -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1kht h MET 43 CO -0.05 0.64 0.06 0.35 1.06 0.00 0.00 176.91 178.96 1kht h PHE 44 N 0.73 0.62 0.02 -0.22 3.57 -0.76 -0.87 116.94 120.04 1kht h PHE 44 Ca 0.19 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1kht h PHE 44 Cb 0.11 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1kht h PHE 44 CO -0.00 0.64 -0.13 0.93 -2.23 0.00 0.00 178.31 177.52 1kht h GLU 45 N 0.42 -0.22 -0.23 1.11 5.08 -0.76 0.12 114.58 120.10 1kht h GLU 45 Ca 0.11 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1kht h GLU 45 Cb 0.36 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1kht h GLU 45 CO 0.01 -0.15 -0.23 -0.39 -1.00 0.00 0.00 179.01 177.25 1kht h VAL 46 N -0.23 1.25 -0.00 3.13 -1.51 -1.24 0.11 116.25 117.76 1kht h VAL 46 Ca 0.04 -1.19 -0.12 0.00 -1.23 0.00 0.00 66.70 64.20 1kht h VAL 46 Cb 0.27 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.75 1kht h VAL 46 CO -0.11 0.38 -0.56 0.00 -1.23 0.00 0.00 177.57 176.05 1kht h ALA 47 N 1.38 1.07 0.16 5.19 0.00 -0.82 -2.08 119.26 124.16 1kht h ALA 47 Ca 0.06 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 1kht h ALA 47 Cb 0.62 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1kht h ALA 47 CO 0.04 0.70 -1.29 -0.22 0.00 0.00 0.00 179.25 178.48 1kht h LYS 48 N 0.01 0.44 -0.55 0.00 3.64 -0.30 0.24 116.57 120.05 1kht h LYS 48 Ca -0.01 -0.68 -0.04 0.00 -1.27 0.00 0.00 60.65 58.65 1kht h LYS 48 Cb 0.99 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1kht h LYS 48 CO 0.07 1.31 0.17 1.49 -2.27 0.00 0.00 179.45 180.22 1kht h GLU 49 N 0.15 0.81 -0.82 1.90 4.81 -0.62 -2.37 114.58 118.46 1kht h GLU 49 Ca -0.18 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 58.68 1kht h GLU 49 Cb 1.99 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 31.10 1kht h GLU 49 CO 0.23 0.71 0.28 0.39 -0.73 0.00 0.00 179.01 179.89 1kht n GLU 50 N -4.30 3.27 -3.71 1.92 1.02 -0.80 -4.93 120.64 113.11 1kht n GLU 50 Ca 0.04 -2.68 -0.28 0.00 -0.02 0.00 0.00 57.16 54.22 1kht n GLU 50 Cb 0.20 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.51 1kht n GLU 50 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kht n ASN 51 N -0.18 -3.64 0.07 1.62 4.13 -0.89 -4.82 115.26 111.55 1kht n ASN 51 Ca 0.38 -0.63 0.06 0.00 1.68 0.00 0.00 54.58 56.06 1kht n ASN 51 Cb 1.30 -2.99 -0.04 0.00 -1.54 0.00 0.00 39.78 36.51 1kht n ASN 51 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1kht h LEU 52 N -1.24 0.00 -8.08 3.41 3.38 -1.20 -3.48 115.31 108.09 1kht h LEU 52 Ca -0.49 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1kht h LEU 52 Cb 1.32 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.94 1kht h LEU 52 CO 0.63 0.29 -0.38 0.54 0.09 0.00 0.00 178.44 179.61 1kht s VAL 53 N -3.14 0.09 0.00 1.22 0.11 -1.01 -5.01 120.40 112.66 1kht s VAL 53 Ca -0.02 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1kht s VAL 53 Cb 0.09 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 1kht s VAL 53 CO 0.80 -0.40 0.00 -0.24 -3.33 0.00 0.00 175.10 171.92 1kht n SER 54 N -0.16 2.78 -4.31 3.54 2.88 -1.26 -4.40 113.62 112.69 1kht n SER 54 Ca -0.09 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.26 1kht n SER 54 Cb 0.63 0.17 -0.11 0.00 -0.75 0.00 0.00 64.21 64.15 1kht n SER 54 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1kht s ASP 55 N -2.84 2.46 0.29 -3.46 1.11 -1.26 -5.01 116.67 107.97 1kht s ASP 55 Ca 0.00 -0.90 0.24 0.00 0.18 0.00 0.00 52.55 52.07 1kht s ASP 55 Cb 0.00 -0.13 1.06 0.00 1.07 0.00 0.00 42.92 44.92 1kht s ASP 55 CO 0.00 -0.11 1.73 0.03 1.18 0.00 0.00 175.17 178.00 1kht h ARG 56 N 3.09 0.00 -0.61 8.23 3.08 -1.98 -2.54 114.38 123.65 1kht h ARG 56 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1kht h ARG 56 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1kht h ARG 56 CO 0.55 0.00 0.26 -0.44 -1.07 0.00 0.00 179.97 179.27 1kht h ASP 57 N 0.00 0.79 0.49 7.04 3.32 -2.04 -1.95 116.42 124.08 1kht h ASP 57 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1kht h ASP 57 Cb 0.31 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1kht h ASP 57 CO 0.00 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 1kht n GLN 58 N -4.33 0.42 0.25 3.56 6.02 -0.96 -3.27 117.38 119.07 1kht n GLN 58 Ca 0.05 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 1kht n GLN 58 Cb 0.15 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.58 1kht n GLN 58 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1kht h MET 59 N 0.00 0.00 0.00 -1.09 2.86 -1.47 -2.24 114.93 112.99 1kht h MET 59 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1kht h MET 59 Cb 0.25 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1kht h MET 59 CO 0.00 0.15 -0.98 0.00 1.06 0.00 0.00 176.91 177.14 1kht h ARG 60 N 0.00 0.00 0.00 1.72 3.08 -1.73 -3.27 114.38 114.18 1kht h ARG 60 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1kht h ARG 60 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1kht h ARG 60 CO 0.02 0.96 0.00 1.63 -1.07 0.00 0.00 179.97 181.51 1kht n LYS 61 N -3.34 0.33 -1.97 0.04 5.02 -0.85 -4.86 118.16 112.53 1kht n LYS 61 Ca -0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1kht n LYS 61 Cb 0.93 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.42 1kht n LYS 61 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1kht s MET 62 N -2.63 4.24 0.80 1.97 -1.94 -1.19 -5.00 119.30 115.54 1kht s MET 62 Ca 0.24 2.36 -0.12 0.00 -1.71 0.00 0.00 55.69 56.46 1kht s MET 62 Cb 0.18 -3.09 0.07 0.00 2.01 0.00 0.00 34.83 34.00 1kht s MET 62 CO 0.42 -0.46 1.13 0.16 -0.01 0.00 0.00 175.02 176.26 1kht s ASP 63 N 0.36 4.59 0.26 3.03 3.84 -1.26 -4.78 116.67 122.71 1kht s ASP 63 Ca 0.60 1.06 -0.02 0.00 -0.00 0.00 0.00 52.55 54.19 1kht s ASP 63 Cb -0.43 -1.72 0.55 0.00 -1.38 0.00 0.00 42.92 39.94 1kht s ASP 63 CO 0.45 -1.88 1.72 -0.65 -0.00 0.00 0.00 175.17 174.81 1kht h PRO 64 N -1.03 0.42 -0.35 2.11 0.11 -1.99 -1.68 132.00 129.59 1kht h PRO 64 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1kht h PRO 64 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1kht h PRO 64 CO 0.63 0.28 0.12 1.49 -0.21 0.00 0.00 178.00 180.31 1kht h GLU 65 N 0.43 0.53 -0.10 1.05 4.57 -2.00 -2.25 114.58 116.81 1kht h GLU 65 Ca 0.46 -0.10 -0.15 0.00 -1.18 0.00 0.00 59.36 58.39 1kht h GLU 65 Cb 0.77 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1kht h GLU 65 CO -0.45 0.54 -0.59 1.15 -1.18 0.00 0.00 179.01 178.47 1kht h THR 66 N 0.41 1.37 -0.16 0.32 2.02 -1.85 -2.36 112.91 112.65 1kht h THR 66 Ca 0.11 -1.93 -0.11 0.00 0.77 0.00 0.00 66.41 65.25 1kht h THR 66 Cb 0.22 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1kht h THR 66 CO -0.01 0.58 -0.38 -0.61 0.37 0.00 0.00 175.52 175.46 1kht h GLN 67 N 0.23 0.36 -0.38 6.66 4.15 -1.26 0.43 115.11 125.31 1kht h GLN 67 Ca -0.00 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 1kht h GLN 67 Cb 1.10 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1kht h GLN 67 CO 0.10 0.70 -0.08 -0.22 -1.93 0.00 0.00 178.83 177.39 1kht h LYS 68 N 0.30 0.72 -0.15 1.69 3.64 -1.25 -0.69 116.57 120.83 1kht h LYS 68 Ca 0.03 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1kht h LYS 68 Cb 0.82 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1kht h LYS 68 CO 0.07 0.86 0.09 -0.09 -2.27 0.00 0.00 179.45 178.11 1kht h ARG 69 N 0.53 0.20 -0.87 1.90 2.43 -1.11 -1.68 114.38 115.78 1kht h ARG 69 Ca 0.10 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1kht h ARG 69 Cb 0.59 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1kht h ARG 69 CO 0.03 0.17 0.58 0.82 -1.51 0.00 0.00 179.97 180.06 1kht h ILE 70 N 0.18 1.22 -0.60 1.20 2.04 -0.80 -1.34 117.51 119.41 1kht h ILE 70 Ca 0.05 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1kht h ILE 70 Cb 0.02 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 1kht h ILE 70 CO -0.01 0.21 0.21 1.56 0.00 0.00 0.00 178.15 180.13 1kht h GLN 71 N 1.17 0.91 -0.52 2.37 4.20 -0.70 -0.12 115.11 122.42 1kht h GLN 71 Ca 0.32 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1kht h GLN 71 Cb -0.12 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1kht h GLN 71 CO -0.07 0.80 0.16 0.87 -0.67 0.00 0.00 178.83 179.91 1kht h LYS 72 N 0.84 0.82 -0.58 1.46 1.57 -0.86 -1.37 116.57 118.44 1kht h LYS 72 Ca 0.20 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1kht h LYS 72 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1kht h LYS 72 CO -0.01 0.76 0.38 0.52 -0.57 0.00 0.00 179.45 180.53 1kht h MET 73 N 0.72 0.76 -0.72 3.15 2.86 -0.94 0.95 114.93 121.71 1kht h MET 73 Ca 0.17 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1kht h MET 73 Cb 0.29 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1kht h MET 73 CO -0.00 0.50 0.33 0.00 1.06 0.00 0.00 176.91 178.80 1kht h ALA 74 N 1.22 0.93 -0.58 6.32 0.00 -0.72 -0.21 119.26 126.21 1kht h ALA 74 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1kht h ALA 74 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1kht h ALA 74 CO -0.05 0.51 0.15 0.78 0.00 0.00 0.00 179.25 180.64 1kht h GLY 75 N 1.01 1.00 1.27 0.00 0.00 -0.73 -0.68 103.07 104.94 1kht h GLY 75 Ca 0.25 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1kht h GLY 75 CO -0.03 0.58 0.09 3.21 0.00 0.00 0.00 176.54 180.39 1kht h ARG 76 N 0.84 0.90 -0.35 4.80 3.08 -0.45 -0.67 114.38 122.53 1kht h ARG 76 Ca 0.18 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1kht h ARG 76 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1kht h ARG 76 CO 0.00 0.84 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.48 1kht h LYS 77 N 0.86 0.64 -0.32 0.04 3.64 -0.68 -1.41 116.57 119.33 1kht h LYS 77 Ca 0.18 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1kht h LYS 77 Cb 0.38 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1kht h LYS 77 CO 0.01 0.78 -0.15 0.82 -2.27 0.00 0.00 179.45 178.63 1kht h ILE 78 N 0.44 1.25 0.00 2.00 2.04 -0.93 -0.83 117.51 121.47 1kht h ILE 78 Ca 0.09 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1kht h ILE 78 Cb 0.51 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1kht h ILE 78 CO 0.02 0.37 -0.14 0.00 0.00 0.00 0.00 178.15 178.40 1kht h ALA 79 N 1.32 1.13 -0.04 1.87 0.00 -0.91 -0.97 119.26 121.65 1kht h ALA 79 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1kht h ALA 79 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kht h ALA 79 CO 0.04 0.18 -0.40 1.49 0.00 0.00 0.00 179.25 180.56 1kht h GLU 80 N 0.00 0.35 -0.51 0.00 4.57 -0.07 -3.18 114.58 115.73 1kht h GLU 80 Ca -0.00 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1kht h GLU 80 Cb 0.51 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1kht h GLU 80 CO 0.02 0.98 0.31 0.52 -1.18 0.00 0.00 179.01 179.66 1kht h MET 81 N -0.17 0.68 -0.71 1.92 2.86 -0.49 -2.42 114.93 116.60 1kht h MET 81 Ca -0.04 -0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.71 1kht h MET 81 Cb 1.08 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1kht h MET 81 CO 0.08 0.47 0.48 0.00 1.06 0.00 0.00 176.91 179.00 1kht h ALA 82 N 1.65 2.27 0.00 6.32 0.00 -1.18 0.76 119.26 129.08 1kht h ALA 82 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1kht h ALA 82 Cb -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kht h ALA 82 CO -0.04 -0.46 -0.07 0.87 0.00 0.00 0.00 179.25 179.55 1kht h LYS 83 N 0.28 0.00 0.00 0.00 1.57 -1.51 -3.03 116.57 113.87 1kht h LYS 83 Ca 0.35 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1kht h LYS 83 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1kht h LYS 83 CO -0.08 0.07 -1.67 0.39 -0.57 0.00 0.00 179.45 177.59 1kht n GLU 84 N -4.09 0.64 -3.72 3.15 1.02 0.24 -4.99 120.64 112.89 1kht n GLU 84 Ca -0.03 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1kht n GLU 84 Cb 0.16 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1kht n GLU 84 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1kht s SER 85 N -5.32 -0.04 0.36 1.62 1.04 -1.08 -5.13 113.70 105.14 1kht s SER 85 Ca -0.05 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 55.93 1kht s SER 85 Cb 0.10 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 1kht s SER 85 CO 0.84 -0.32 1.34 -2.84 0.98 0.00 0.00 173.24 173.24 1kht s PRO 86 N -2.31 4.23 -0.05 4.02 0.02 -1.24 -4.22 135.00 135.44 1kht s PRO 86 Ca 0.18 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.55 1kht s PRO 86 Cb 0.03 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.55 1kht s PRO 86 CO -0.03 -0.32 -0.25 0.08 -0.33 0.00 0.00 177.00 176.15 1kht s VAL 87 N -1.16 2.04 -0.32 3.83 1.01 -0.41 -1.38 120.40 124.01 1kht s VAL 87 Ca 0.51 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1kht s VAL 87 Cb -0.41 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1kht s VAL 87 CO 0.54 0.57 0.05 0.00 0.00 0.00 0.00 175.10 176.26 1kht s ALA 88 N -0.23 2.92 -0.38 5.51 0.00 -0.17 0.32 121.76 129.73 1kht s ALA 88 Ca -0.02 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 49.94 1kht s ALA 88 Cb -0.13 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1kht s ALA 88 CO 0.03 -1.34 0.55 0.08 0.00 0.00 0.00 175.76 175.08 1kht s VAL 89 N 1.30 4.97 -0.20 0.00 1.01 0.29 -1.15 120.40 126.61 1kht s VAL 89 Ca -0.03 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1kht s VAL 89 Cb -0.20 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1kht s VAL 89 CO 0.00 -0.34 0.84 -0.62 0.00 0.00 0.00 175.10 174.98 1kht s ASP 90 N 1.83 6.91 0.26 3.32 2.15 0.17 -0.62 116.67 130.69 1kht s ASP 90 Ca 0.19 1.12 -0.10 0.00 0.43 0.00 0.00 52.55 54.20 1kht s ASP 90 Cb -0.15 -2.45 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1kht s ASP 90 CO 0.15 -0.47 0.52 1.07 -0.17 0.00 0.00 175.17 176.28 1kht n THR 91 N 5.00 0.00 -4.69 1.71 5.66 -0.34 -1.37 114.28 120.24 1kht n THR 91 Ca 0.05 -0.65 -0.33 0.00 -3.05 0.00 0.00 64.05 60.08 1kht n THR 91 Cb 0.48 0.65 -0.13 0.00 -1.55 0.00 0.00 70.33 69.78 1kht n THR 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1kht s HIS 92 N -4.49 2.86 0.12 1.09 3.76 -1.26 -3.92 115.29 113.45 1kht s HIS 92 Ca 0.10 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.41 1kht s HIS 92 Cb -0.03 -1.82 -0.06 0.00 1.11 0.00 0.00 32.58 31.78 1kht s HIS 92 CO 0.08 -0.03 1.73 1.03 -0.85 0.00 0.00 174.74 176.69 1kht h SER 93 N 6.29 -0.06 -5.13 1.40 0.87 -1.91 -3.25 113.55 111.77 1kht h SER 93 Ca -0.33 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.14 1kht h SER 93 Cb 1.19 0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 63.04 1kht h SER 93 CO 0.56 -0.01 -0.53 0.42 -0.53 0.00 0.00 176.83 176.74 1kht s THR 94 N -6.19 0.15 -0.14 2.23 -4.23 -1.26 -1.18 115.64 105.03 1kht s THR 94 Ca -0.13 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1kht s THR 94 Cb 0.09 -1.08 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 1kht s THR 94 CO 0.68 -0.69 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.24 1kht s VAL 95 N -3.05 2.89 -0.60 2.29 1.01 0.16 -4.85 120.40 118.24 1kht s VAL 95 Ca -0.01 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1kht s VAL 95 Cb 0.01 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1kht s VAL 95 CO -0.07 0.52 1.40 -0.55 0.00 0.00 0.00 175.10 176.41 1kht s SER 96 N 0.51 6.09 0.35 3.32 0.15 -1.26 -1.59 113.70 121.28 1kht s SER 96 Ca -0.10 0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.76 1kht s SER 96 Cb -0.16 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1kht s SER 96 CO 0.04 -1.77 0.13 0.42 1.20 0.00 0.00 173.24 173.26 1kht s THR 97 N 6.14 2.84 0.59 6.45 -4.23 -0.56 -5.00 115.64 121.87 1kht s THR 97 Ca 0.49 -1.74 0.29 0.00 -1.18 0.00 0.00 61.69 59.55 1kht s THR 97 Cb -0.10 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.15 1kht s THR 97 CO 0.23 -0.15 2.11 -0.65 -0.54 0.00 0.00 174.62 175.61 1kht h PRO 98 N 1.56 0.00 -0.02 3.99 0.11 -2.04 0.49 132.00 136.10 1kht h PRO 98 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1kht h PRO 98 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kht h PRO 98 CO 0.65 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 1kht n LYS 99 N -3.81 1.70 0.00 1.05 4.76 -1.26 -5.05 118.16 115.55 1kht n LYS 99 Ca 0.01 -1.02 0.00 0.00 -2.87 0.00 0.00 58.31 54.43 1kht n LYS 99 Cb 0.31 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1kht n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kht n GLY 100 N 1.18 0.30 3.67 0.72 0.00 0.16 -5.01 105.19 106.22 1kht n GLY 100 Ca 0.19 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1kht n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kht s TYR 101 N -0.08 3.43 -0.24 1.61 2.02 -1.26 -1.49 117.35 121.34 1kht s TYR 101 Ca 0.00 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.06 1kht s TYR 101 Cb 0.00 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 1kht s TYR 101 CO 0.00 -0.30 0.11 -1.17 -1.57 0.00 0.00 175.55 172.62 1kht s LEU 102 N 2.39 3.77 0.19 -1.29 2.96 -0.62 -4.89 118.68 121.20 1kht s LEU 102 Ca 0.44 -0.05 -0.32 0.00 -0.22 0.00 0.00 54.13 53.98 1kht s LEU 102 Cb -0.17 -2.01 -0.11 0.00 0.50 0.00 0.00 46.19 44.40 1kht s LEU 102 CO 0.13 0.02 1.69 -2.84 -1.32 0.00 0.00 176.35 174.03 1kht s PRO 103 N 1.30 4.15 0.18 0.98 0.02 -1.26 -0.67 135.00 139.69 1kht s PRO 103 Ca 0.06 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.65 1kht s PRO 103 Cb -0.15 -3.12 0.05 0.00 0.02 0.00 0.00 34.50 31.30 1kht s PRO 103 CO 0.05 -0.72 1.42 0.78 -0.33 0.00 0.00 177.00 178.19 1kht h GLY 104 N 6.90 0.22 -6.84 0.52 0.00 -1.18 -3.39 103.07 99.31 1kht h GLY 104 Ca -0.43 -0.36 -0.61 0.00 0.00 0.00 0.00 47.33 45.93 1kht h GLY 104 CO 0.95 0.32 -0.71 1.08 0.00 0.00 0.00 176.54 178.18 1kht s LEU 105 N -7.52 3.62 1.19 3.11 1.43 -1.26 -4.95 118.68 114.30 1kht s LEU 105 Ca -0.03 -3.56 -0.15 0.00 -1.03 0.00 0.00 54.13 49.36 1kht s LEU 105 Cb 0.11 -1.22 0.26 0.00 0.03 0.00 0.00 46.19 45.37 1kht s LEU 105 CO 0.82 -0.12 0.75 -2.65 0.23 0.00 0.00 176.35 175.38 1kht n PRO 106 N 2.30 -2.49 -0.26 1.29 -0.02 -1.26 -4.53 135.00 130.03 1kht n PRO 106 Ca 0.23 -0.70 0.08 0.00 -2.02 0.00 0.00 63.50 61.08 1kht n PRO 106 Cb 0.39 -2.03 0.32 0.00 -0.02 0.00 0.00 33.50 32.17 1kht n PRO 106 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kht h SER 107 N -2.63 0.75 0.47 2.55 4.64 -1.99 -0.93 113.55 116.40 1kht h SER 107 Ca -0.61 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.71 1kht h SER 107 Cb 1.34 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1kht h SER 107 CO 0.47 0.44 -0.11 4.11 -0.87 0.00 0.00 176.83 180.86 1kht h TRP 108 N 0.82 0.00 0.15 4.77 0.09 -2.00 -1.04 115.95 118.75 1kht h TRP 108 Ca 0.40 0.00 -0.33 0.00 0.09 0.00 0.00 58.89 59.05 1kht h TRP 108 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.68 1kht h TRP 108 CO -0.00 0.11 -1.67 0.28 0.09 0.00 0.00 178.44 177.26 1kht h VAL 109 N 0.00 1.01 -0.95 0.12 2.07 -1.52 -3.30 116.25 113.68 1kht h VAL 109 Ca -0.00 -2.63 0.04 0.00 0.82 0.00 0.00 66.70 64.93 1kht h VAL 109 Cb 0.38 2.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 1kht h VAL 109 CO 0.01 0.83 0.62 -0.07 0.02 0.00 0.00 177.57 178.99 1kht h LEU 110 N 0.09 1.02 -1.26 2.57 3.38 -0.72 0.49 115.31 120.87 1kht h LEU 110 Ca -0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1kht h LEU 110 Cb 2.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1kht h LEU 110 CO 0.17 0.69 -0.07 0.78 0.09 0.00 0.00 178.44 180.10 1kht h ASN 111 N 1.17 0.39 0.19 -0.43 -0.26 -1.33 -0.18 115.58 115.14 1kht h ASN 111 Ca 0.39 -0.08 -0.27 0.00 -0.56 0.00 0.00 56.30 55.77 1kht h ASN 111 Cb 0.05 -0.10 0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1kht h ASN 111 CO -0.13 0.51 -1.19 -0.33 -1.06 0.00 0.00 177.43 175.24 1kht h GLU 112 N 0.40 0.48 -0.13 0.81 4.39 -1.37 -3.36 114.58 115.79 1kht h GLU 112 Ca 0.08 -0.76 -0.19 0.00 0.34 0.00 0.00 59.36 58.83 1kht h GLU 112 Cb 0.37 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1kht h GLU 112 CO 0.02 1.36 -0.71 -0.07 -1.16 0.00 0.00 179.01 178.44 1kht h LEU 113 N -0.01 0.67 -3.04 1.33 3.38 -0.80 -3.43 115.31 113.41 1kht h LEU 113 Ca -0.20 -0.43 -0.55 0.00 0.09 0.00 0.00 57.88 56.79 1kht h LEU 113 Cb 1.92 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 1kht h LEU 113 CO 0.22 1.18 -0.97 0.59 0.09 0.00 0.00 178.44 179.56 1kht n ASN 114 N -3.89 -2.68 -4.74 -0.43 3.02 -0.09 -4.89 115.26 101.56 1kht n ASN 114 Ca -0.05 -1.18 -0.34 0.00 -0.03 0.00 0.00 54.58 52.98 1kht n ASN 114 Cb 0.70 -2.28 0.07 0.00 -0.61 0.00 0.00 39.78 37.67 1kht n ASN 114 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kht s PRO 115 N -6.95 2.41 -0.01 3.52 0.04 -1.26 -4.76 135.00 127.98 1kht s PRO 115 Ca 0.30 1.58 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1kht s PRO 115 Cb -0.15 -1.88 -0.19 0.00 0.04 0.00 0.00 34.50 32.32 1kht s PRO 115 CO 0.94 -1.59 0.34 -0.25 0.04 0.00 0.00 177.00 176.48 1kht n ASP 116 N -2.62 1.70 -3.71 6.66 8.00 0.04 -4.25 116.55 122.38 1kht n ASP 116 Ca 0.12 -0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.35 1kht n ASP 116 Cb 0.51 1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 43.00 1kht n ASP 116 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1kht s LEU 117 N -3.67 0.11 -0.20 0.64 2.96 -1.21 -2.34 118.68 114.98 1kht s LEU 117 Ca -0.03 0.89 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1kht s LEU 117 Cb 0.09 1.42 0.02 0.00 0.50 0.00 0.00 46.19 48.21 1kht s LEU 117 CO 0.55 -0.17 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.63 1kht s ILE 118 N 0.85 2.43 -0.16 6.68 -1.09 -0.13 -0.82 121.20 128.96 1kht s ILE 118 Ca -0.05 -0.90 -0.08 0.00 -2.23 0.00 0.00 60.65 57.40 1kht s ILE 118 Cb -0.06 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1kht s ILE 118 CO -0.07 0.44 0.10 -0.63 -1.23 0.00 0.00 174.94 173.55 1kht s ILE 119 N 1.32 5.12 -0.26 2.92 1.01 0.16 -0.89 121.20 130.59 1kht s ILE 119 Ca 0.04 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1kht s ILE 119 Cb -0.14 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.10 1kht s ILE 119 CO -0.10 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.55 1kht s VAL 120 N -0.09 2.19 -0.15 2.92 1.01 0.15 -0.53 120.40 125.90 1kht s VAL 120 Ca 0.08 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.29 1kht s VAL 120 Cb -0.12 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1kht s VAL 120 CO 0.01 -0.03 0.30 -0.69 0.00 0.00 0.00 175.10 174.68 1kht s VAL 121 N 1.10 5.30 0.27 2.92 1.01 -0.89 0.34 120.40 130.45 1kht s VAL 121 Ca -0.09 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1kht s VAL 121 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1kht s VAL 121 CO -0.05 0.40 0.18 -1.61 0.00 0.00 0.00 175.10 174.02 1kht s GLU 122 N 0.40 1.49 0.14 2.72 2.02 0.11 -4.44 118.70 121.14 1kht s GLU 122 Ca 0.17 -1.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.08 1kht s GLU 122 Cb -0.13 0.13 0.08 0.00 0.10 0.00 0.00 34.13 34.31 1kht s GLU 122 CO 0.04 -0.48 1.08 -0.08 0.02 0.00 0.00 175.26 175.84 1kht s THR 123 N -3.76 0.00 0.69 3.63 -1.32 -1.26 0.54 115.64 114.15 1kht s THR 123 Ca 0.38 -0.52 -0.14 0.00 -1.21 0.00 0.00 61.69 60.21 1kht s THR 123 Cb 0.05 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 1kht s THR 123 CO 0.18 0.00 1.10 0.42 -2.21 0.00 0.00 174.62 174.11 1kht s THR 124 N -2.39 3.33 0.28 5.08 -4.23 -1.26 -4.88 115.64 111.57 1kht s THR 124 Ca 0.20 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 61.25 1kht s THR 124 Cb -0.01 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1kht s THR 124 CO 0.03 -0.44 1.93 1.23 -0.54 0.00 0.00 174.62 176.83 1kht h GLY 125 N -0.28 1.35 0.63 3.99 0.00 -1.93 -1.79 103.07 105.04 1kht h GLY 125 Ca -0.46 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 46.44 1kht h GLY 125 CO 0.54 0.40 -0.13 -0.55 0.00 0.00 0.00 176.54 176.79 1kht h ASP 126 N 1.17 -0.40 -0.42 0.19 3.32 -1.92 0.21 116.42 118.58 1kht h ASP 126 Ca 0.37 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 1kht h ASP 126 Cb 0.01 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1kht h ASP 126 CO -0.11 -0.19 0.09 -0.33 -1.72 0.00 0.00 179.24 176.98 1kht h GLU 127 N -0.21 0.76 -0.50 3.56 5.08 -1.86 -0.23 114.58 121.17 1kht h GLU 127 Ca 0.06 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1kht h GLU 127 Cb 0.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1kht h GLU 127 CO -0.15 0.71 -0.04 0.82 -1.00 0.00 0.00 179.01 179.35 1kht h ILE 128 N 0.73 1.27 -0.35 3.13 2.04 -0.92 -0.54 117.51 122.86 1kht h ILE 128 Ca 0.16 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 1kht h ILE 128 Cb 0.32 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1kht h ILE 128 CO 0.00 0.40 -0.36 0.25 0.00 0.00 0.00 178.15 178.44 1kht h LEU 129 N 0.78 0.86 0.21 1.44 5.85 -0.71 -2.01 115.31 121.73 1kht h LEU 129 Ca 0.14 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1kht h LEU 129 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1kht h LEU 129 CO 0.03 1.13 -0.15 -0.03 -0.34 0.00 0.00 178.44 179.09 1kht h MET 130 N 0.67 -0.34 -0.63 1.25 4.05 -0.86 -0.72 114.93 118.36 1kht h MET 130 Ca 0.06 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1kht h MET 130 Cb 0.92 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.75 1kht h MET 130 CO 0.08 -0.23 0.35 0.00 0.23 0.00 0.00 176.91 177.34 1kht h ARG 131 N -0.36 0.64 -0.34 0.39 3.08 -1.00 -2.49 114.38 114.30 1kht h ARG 131 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1kht h ARG 131 Cb 0.31 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1kht h ARG 131 CO 0.01 0.42 -0.11 0.00 -1.07 0.00 0.00 179.97 179.22 1kht h ARG 132 N 0.66 0.58 -0.37 0.04 3.08 -1.10 -3.11 114.38 114.17 1kht h ARG 132 Ca 0.28 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1kht h ARG 132 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1kht h ARG 132 CO -0.17 0.69 -0.23 0.52 -1.07 0.00 0.00 179.97 179.72 1kht h MET 133 N 0.54 0.73 -0.97 0.04 2.86 -0.69 -2.57 114.93 114.87 1kht h MET 133 Ca 0.10 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 1kht h MET 133 Cb 0.51 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 1kht h MET 133 CO 0.03 0.89 0.18 -1.13 1.06 0.00 0.00 176.91 177.94 1kht n SER 134 N -4.11 3.13 -4.26 1.22 3.41 -1.06 -4.77 113.62 107.18 1kht n SER 134 Ca 0.00 -2.51 -0.32 0.00 -0.26 0.00 0.00 58.87 55.78 1kht n SER 134 Cb 0.43 -0.61 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 1kht n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kht s ASP 135 N 0.09 3.21 0.45 4.04 -1.08 -0.97 -5.04 116.67 117.39 1kht s ASP 135 Ca 0.20 -0.51 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1kht s ASP 135 Cb 0.16 -1.25 1.03 0.00 -1.46 0.00 0.00 42.92 41.41 1kht s ASP 135 CO 0.04 0.19 2.09 -0.08 0.52 0.00 0.00 175.17 177.93 1kht h GLU 136 N 6.48 0.32 0.12 4.34 4.81 -1.86 -3.24 114.58 125.55 1kht h GLU 136 Ca -0.24 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.80 1kht h GLU 136 Cb 1.22 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.54 1kht h GLU 136 CO 0.48 0.21 -0.74 1.79 -0.73 0.00 0.00 179.01 180.02 1kht h THR 137 N 0.33 1.52 -3.57 0.32 1.35 -1.96 -3.43 112.91 107.48 1kht h THR 137 Ca 0.11 -2.48 -0.75 0.00 -0.55 0.00 0.00 66.41 62.74 1kht h THR 137 Cb 0.03 3.16 -0.29 0.00 -1.73 0.00 0.00 68.15 69.31 1kht h THR 137 CO -0.02 0.70 -0.17 -0.60 -0.25 0.00 0.00 175.52 175.18 1kht s ARG 138 N -2.50 3.02 -0.00 4.72 3.52 -1.22 -4.69 118.95 121.78 1kht s ARG 138 Ca -0.14 -2.27 0.00 0.00 -0.13 0.00 0.00 55.73 53.19 1kht s ARG 138 Cb 0.01 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1kht s ARG 138 CO 0.82 -1.24 0.63 0.28 -0.81 0.00 0.00 175.30 174.98 1kht n VAL 139 N 4.14 0.13 -2.84 7.11 0.31 -1.26 -4.08 118.33 121.83 1kht n VAL 139 Ca 0.05 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.13 1kht n VAL 139 Cb 0.42 0.86 0.04 0.00 -0.91 0.00 0.00 33.84 34.25 1kht n VAL 139 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1kht n ARG 140 N -0.07 1.08 -0.00 5.55 1.74 -1.26 -4.90 116.66 118.79 1kht n ARG 140 Ca 0.00 -2.85 0.03 0.00 -0.77 0.00 0.00 57.85 54.25 1kht n ARG 140 Cb 0.51 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 1kht n ARG 140 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1kht n ASP 141 N 0.01 1.23 -1.07 0.55 5.75 -1.26 -5.03 116.55 116.73 1kht n ASP 141 Ca 0.11 -0.45 -0.14 0.00 -0.01 0.00 0.00 54.79 54.30 1kht n ASP 141 Cb 0.76 1.07 -0.06 0.00 -1.03 0.00 0.00 41.12 41.86 1kht n ASP 141 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1kht n LEU 142 N -1.29 -0.84 -4.86 -2.12 7.94 -1.26 -5.00 117.00 109.57 1kht n LEU 142 Ca 0.00 0.34 -0.31 0.00 -1.11 0.00 0.00 56.01 54.94 1kht n LEU 142 Cb 0.10 -2.42 -0.02 0.00 0.53 0.00 0.00 43.42 41.61 1kht n LEU 142 CO 0.11 -0.90 0.63 -1.81 -1.11 0.00 0.00 177.39 174.31 1kht s ASP 143 N -2.65 6.48 0.40 1.96 1.01 -1.26 -5.08 116.67 117.53 1kht s ASP 143 Ca 0.00 1.40 0.04 0.00 0.71 0.00 0.00 52.55 54.70 1kht s ASP 143 Cb 0.00 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1kht s ASP 143 CO 0.00 -0.62 0.06 0.42 0.21 0.00 0.00 175.17 175.24 1kht s THR 144 N -2.72 1.18 0.27 -1.27 -4.23 -1.26 -5.00 115.64 102.60 1kht s THR 144 Ca 0.56 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1kht s THR 144 Cb -0.10 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.39 1kht s THR 144 CO 0.38 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.39 1kht h ALA 145 N 1.83 1.31 -0.27 3.99 0.00 -1.97 -2.20 119.26 121.95 1kht h ALA 145 Ca -0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1kht h ALA 145 Cb 1.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1kht h ALA 145 CO 0.69 0.63 0.14 0.77 0.00 0.00 0.00 179.25 181.48 1kht h SER 146 N 1.26 0.34 0.42 0.00 0.02 -1.95 -0.44 113.55 113.19 1kht h SER 146 Ca 0.34 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1kht h SER 146 Cb -0.12 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1kht h SER 146 CO -0.07 0.33 -0.33 0.71 -1.14 0.00 0.00 176.83 176.33 1kht h THR 147 N 0.31 1.12 -0.05 -2.27 1.35 -1.89 -0.59 112.91 110.90 1kht h THR 147 Ca 0.09 -1.17 -0.18 0.00 -0.55 0.00 0.00 66.41 64.60 1kht h THR 147 Cb 0.07 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1kht h THR 147 CO -0.01 0.32 -0.77 0.40 -0.25 0.00 0.00 175.52 175.21 1kht h ILE 148 N 0.00 1.41 -0.47 6.82 2.04 -1.09 -1.54 117.51 124.68 1kht h ILE 148 Ca -0.00 -2.27 -0.11 0.00 1.00 0.00 0.00 64.86 63.47 1kht h ILE 148 Cb 0.63 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1kht h ILE 148 CO 0.04 0.67 -0.15 -0.33 0.00 0.00 0.00 178.15 178.39 1kht h GLU 149 N 0.21 0.89 -0.69 2.37 4.39 -0.53 -0.58 114.58 120.64 1kht h GLU 149 Ca -0.03 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 1kht h GLU 149 Cb 1.35 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 1kht h GLU 149 CO 0.13 0.98 0.15 0.37 -1.16 0.00 0.00 179.01 179.48 1kht h GLN 150 N 0.79 1.11 -0.45 2.33 4.15 -0.94 0.15 115.11 122.26 1kht h GLN 150 Ca 0.12 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1kht h GLN 150 Cb 0.68 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1kht h GLN 150 CO 0.05 0.99 0.08 1.25 -1.93 0.00 0.00 178.83 179.27 1kht h HIS 151 N 1.05 0.78 0.00 3.99 2.76 -0.97 -0.79 115.15 121.97 1kht h HIS 151 Ca 0.22 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1kht h HIS 151 Cb 0.39 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1kht h HIS 151 CO 0.03 0.73 -0.22 1.96 -1.30 0.00 0.00 177.93 179.13 1kht h GLN 152 N 0.60 0.00 -0.00 5.26 4.20 -0.57 0.25 115.11 124.85 1kht h GLN 152 Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1kht h GLN 152 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1kht h GLN 152 CO 0.01 0.22 -0.00 0.35 -0.67 0.00 0.00 178.83 178.74 1kht h PHE 153 N 0.00 0.01 -0.23 2.96 3.04 -0.11 -1.98 116.94 120.62 1kht h PHE 153 Ca -0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1kht h PHE 153 Cb 0.39 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1kht h PHE 153 CO 0.00 0.43 -0.17 0.52 -2.02 0.00 0.00 178.31 177.08 1kht h MET 154 N -0.42 0.40 -0.51 1.11 2.86 -0.68 -1.91 114.93 115.78 1kht h MET 154 Ca 0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1kht h MET 154 Cb 0.43 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1kht h MET 154 CO 0.00 0.56 0.16 -0.91 1.06 0.00 0.00 176.91 177.78 1kht h ASN 155 N 0.37 0.68 -0.51 1.22 -0.26 -0.42 -0.69 115.58 115.96 1kht h ASN 155 Ca 0.07 -0.10 -0.12 0.00 -0.56 0.00 0.00 56.30 55.59 1kht h ASN 155 Cb 0.51 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1kht h ASN 155 CO 0.03 0.65 -0.14 0.03 -1.06 0.00 0.00 177.43 176.94 1kht h ARG 156 N 0.73 1.00 -0.36 0.81 3.08 -0.57 -0.11 114.38 118.97 1kht h ARG 156 Ca 0.17 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 1kht h ARG 156 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1kht h ARG 156 CO -0.01 1.07 0.01 0.00 -1.07 0.00 0.00 179.97 179.97 1kht h ALA 158 N 0.87 0.98 -0.33 0.00 0.00 -1.05 -0.38 119.26 119.35 1kht h ALA 158 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1kht h ALA 158 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kht h ALA 158 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1kht h ALA 159 N 1.14 0.45 -0.35 0.00 0.00 -0.82 -1.00 119.26 118.68 1kht h ALA 159 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1kht h ALA 159 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kht h ALA 159 CO -0.02 0.20 -0.07 1.98 0.00 0.00 0.00 179.25 181.34 1kht h MET 160 N 0.39 0.57 -0.20 0.00 -1.53 -0.67 -2.00 114.93 111.49 1kht h MET 160 Ca 0.09 -0.15 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 1kht h MET 160 Cb 0.45 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.42 1kht h MET 160 CO 0.02 0.65 -0.24 0.77 0.14 0.00 0.00 176.91 178.24 1kht h SER 161 N 0.54 0.36 -0.77 1.39 0.02 -0.77 -1.42 113.55 112.90 1kht h SER 161 Ca 0.10 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1kht h SER 161 Cb 0.45 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1kht h SER 161 CO 0.02 0.61 0.31 1.88 -1.14 0.00 0.00 176.83 178.52 1kht h TYR 162 N 0.33 1.16 -0.16 3.45 0.05 -0.45 -1.32 116.97 120.02 1kht h TYR 162 Ca 0.05 -0.09 -0.20 0.00 0.05 0.00 0.00 58.73 58.55 1kht h TYR 162 Cb 0.61 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1kht h TYR 162 CO 0.01 0.88 -0.69 0.78 -1.05 0.00 0.00 178.16 178.10 1kht h GLY 163 N 1.11 0.73 1.24 3.88 0.00 -1.16 -1.65 103.07 107.22 1kht h GLY 163 Ca 0.26 -0.97 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 1kht h GLY 163 CO -0.02 0.87 0.20 -2.08 0.00 0.00 0.00 176.54 175.51 1kht h VAL 164 N 0.47 1.24 0.00 4.60 2.07 -1.02 2.07 116.25 125.68 1kht h VAL 164 Ca -0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1kht h VAL 164 Cb 1.29 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1kht h VAL 164 CO 0.14 0.31 -0.16 -0.07 0.02 0.00 0.00 177.57 177.81 1kht h LEU 165 N 0.93 0.00 0.00 2.57 3.38 -1.17 -3.36 115.31 117.66 1kht h LEU 165 Ca 0.21 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1kht h LEU 165 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1kht h LEU 165 CO -0.01 0.00 -1.19 0.35 0.09 0.00 0.00 178.44 177.69 1kht n THR 166 N -2.87 0.06 -0.48 0.22 -2.24 -0.63 -5.00 114.28 103.34 1kht n THR 166 Ca 0.04 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1kht n THR 166 Cb 0.51 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1kht n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kht n GLY 167 N 2.42 0.75 3.79 3.38 0.00 0.70 -4.93 105.19 111.30 1kht n GLY 167 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1kht n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kht s ALA 168 N -2.49 2.71 0.27 4.61 0.00 -1.13 -4.98 121.76 120.74 1kht s ALA 168 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1kht s ALA 168 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1kht s ALA 168 CO 0.00 -0.82 0.70 0.95 0.00 0.00 0.00 175.76 176.59 1kht s THR 169 N -2.33 4.68 -0.24 0.00 -4.23 -0.99 -4.46 115.64 108.08 1kht s THR 169 Ca 0.65 1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 62.13 1kht s THR 169 Cb -0.17 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1kht s THR 169 CO 0.35 -0.01 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.69 1kht s VAL 170 N -1.78 3.25 -0.20 2.29 1.01 -1.26 -0.96 120.40 122.75 1kht s VAL 170 Ca 0.49 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1kht s VAL 170 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1kht s VAL 170 CO 0.19 0.32 -0.05 -0.75 0.00 0.00 0.00 175.10 174.81 1kht s LYS 171 N 1.43 3.41 -0.17 2.72 2.47 -0.07 -4.99 119.74 124.55 1kht s LYS 171 Ca 0.04 -0.62 -0.14 0.00 -1.56 0.00 0.00 55.97 53.69 1kht s LYS 171 Cb -0.15 -2.96 -0.05 0.00 -1.46 0.00 0.00 37.83 33.21 1kht s LYS 171 CO -0.03 -0.11 0.28 0.42 0.16 0.00 0.00 175.35 176.07 1kht s ILE 172 N 1.24 5.31 -0.07 5.43 1.01 -1.26 0.32 121.20 133.18 1kht s ILE 172 Ca 0.03 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1kht s ILE 172 Cb -0.14 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1kht s ILE 172 CO -0.02 0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 174.50 1kht s VAL 173 N 0.54 1.17 -0.16 2.92 1.01 0.15 -4.93 120.40 121.09 1kht s VAL 173 Ca 0.16 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1kht s VAL 173 Cb -0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1kht s VAL 173 CO 0.04 0.37 0.74 -1.10 0.00 0.00 0.00 175.10 175.14 1kht s GLN 174 N 0.80 4.29 -0.75 2.72 -1.52 -1.26 0.07 119.66 124.01 1kht s GLN 174 Ca -0.12 0.85 0.04 0.00 -1.95 0.00 0.00 55.36 54.17 1kht s GLN 174 Cb -0.15 -3.56 0.18 0.00 -0.22 0.00 0.00 33.01 29.26 1kht s GLN 174 CO 0.02 -0.24 0.57 -1.71 -0.25 0.00 0.00 175.29 173.68 1kht n ASN 175 N 4.94 3.31 -4.88 5.90 5.15 0.19 -4.44 115.26 125.43 1kht n ASN 175 Ca 0.01 -3.21 -0.30 0.00 -0.60 0.00 0.00 54.58 50.48 1kht n ASN 175 Cb 0.49 -0.82 -0.04 0.00 -0.53 0.00 0.00 39.78 38.89 1kht n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1kht s ARG 176 N -1.51 3.76 0.31 1.20 0.52 -1.26 -4.66 118.95 117.31 1kht s ARG 176 Ca 0.26 0.32 -0.28 0.00 -0.52 0.00 0.00 55.73 55.52 1kht s ARG 176 Cb -0.04 -2.51 -0.13 0.00 0.52 0.00 0.00 34.95 32.79 1kht s ARG 176 CO -0.16 0.11 1.05 0.09 0.02 0.00 0.00 175.30 176.42 1kht n ASN 177 N -0.91 1.52 0.00 0.23 3.02 -1.26 -0.65 115.26 117.21 1kht n ASN 177 Ca 0.01 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1kht n ASN 177 Cb 0.54 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1kht n ASN 177 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kht n GLY 178 N 1.14 0.25 1.18 7.41 0.00 -1.26 -4.77 105.19 109.15 1kht n GLY 178 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1kht n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kht n LEU 179 N 0.00 2.82 -0.24 0.99 4.77 0.17 -4.84 117.00 120.67 1kht n LEU 179 Ca 0.00 -3.72 -0.05 0.00 -0.03 0.00 0.00 56.01 52.21 1kht n LEU 179 Cb 0.02 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1kht n LEU 179 CO 0.00 1.38 1.15 0.25 -1.33 0.00 0.00 177.39 178.84 1kht h LEU 180 N 1.35 0.79 -0.84 2.23 5.85 -1.86 -2.84 115.31 119.98 1kht h LEU 180 Ca 0.03 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1kht h LEU 180 Cb 1.28 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 1kht h LEU 180 CO 0.19 0.59 0.47 0.44 -0.34 0.00 0.00 178.44 179.78 1kht h ASP 181 N 0.92 0.66 -0.73 1.25 3.45 -1.94 0.18 116.42 120.21 1kht h ASP 181 Ca 0.25 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.72 1kht h ASP 181 Cb -0.08 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 1kht h ASP 181 CO -0.05 0.35 0.27 1.56 -1.57 0.00 0.00 179.24 179.81 1kht h GLN 182 N 0.76 1.10 -0.38 3.56 7.50 -1.90 -0.18 115.11 125.58 1kht h GLN 182 Ca 0.42 -0.21 -0.06 0.00 0.50 0.00 0.00 58.65 59.30 1kht h GLN 182 Cb 0.44 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 1kht h GLN 182 CO -0.27 0.91 0.01 0.00 -1.50 0.00 0.00 178.83 177.98 1kht h ALA 183 N 1.13 0.51 -0.97 3.87 0.00 -1.17 -1.90 119.26 120.72 1kht h ALA 183 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kht h ALA 183 Cb 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1kht h ALA 183 CO -0.02 0.27 0.62 0.28 0.00 0.00 0.00 179.25 180.41 1kht h VAL 184 N 0.49 1.26 -0.46 0.00 2.07 -0.69 0.66 116.25 119.57 1kht h VAL 184 Ca 0.11 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1kht h VAL 184 Cb 0.45 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1kht h VAL 184 CO 0.02 0.25 0.01 -0.08 0.02 0.00 0.00 177.57 177.79 1kht h GLU 185 N 1.33 0.80 -0.01 1.57 4.81 -0.85 0.89 114.58 123.13 1kht h GLU 185 Ca 0.35 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1kht h GLU 185 Cb -0.12 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1kht h GLU 185 CO -0.07 0.85 0.00 0.93 -0.73 0.00 0.00 179.01 179.99 1kht h GLU 186 N 0.65 0.01 -0.88 1.92 5.08 -0.88 -0.53 114.58 119.96 1kht h GLU 186 Ca 0.13 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1kht h GLU 186 Cb 0.48 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1kht h GLU 186 CO 0.02 0.10 0.58 -0.07 -1.00 0.00 0.00 179.01 178.64 1kht h LEU 187 N -0.08 1.00 -1.19 1.33 3.38 -0.80 0.15 115.31 119.11 1kht h LEU 187 Ca 0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1kht h LEU 187 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1kht h LEU 187 CO -0.00 0.72 0.55 0.74 0.09 0.00 0.00 178.44 180.54 1kht h THR 188 N 1.18 1.21 0.03 0.22 2.02 -0.50 -0.27 112.91 116.79 1kht h THR 188 Ca 0.33 -0.38 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 1kht h THR 188 Cb -0.12 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1kht h THR 188 CO -0.08 0.20 -0.99 0.78 0.37 0.00 0.00 175.52 175.81 1kht h ASN 189 N 1.12 0.43 0.51 4.18 -0.26 -0.11 -2.15 115.58 119.30 1kht h ASN 189 Ca 0.31 -0.37 -0.21 0.00 -0.56 0.00 0.00 56.30 55.47 1kht h ASN 189 Cb -0.12 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1kht h ASN 189 CO -0.07 1.19 -0.92 1.62 -1.06 0.00 0.00 177.43 178.19 1kht h VAL 190 N 0.16 1.47 0.00 2.81 3.04 -0.71 -3.19 116.25 119.82 1kht h VAL 190 Ca -0.08 -2.60 -0.07 0.00 -1.01 0.00 0.00 66.70 62.93 1kht h VAL 190 Cb 1.65 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 33.40 1kht h VAL 190 CO 0.16 0.76 -0.36 -0.07 -1.01 0.00 0.00 177.57 177.06 1kht h LEU 191 N 0.14 0.00 0.00 3.16 3.38 -1.12 -3.51 115.31 117.36 1kht h LEU 191 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1kht h LEU 191 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1kht h LEU 191 CO 0.15 0.36 0.00 -1.14 0.09 0.00 0.00 178.44 177.89