#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kht s ASN 3 N 0.00 7.14 0.25 4.39 -0.87 -1.26 -4.99 114.94 119.60 1kht s ASN 3 Ca 0.00 1.91 -0.30 0.00 -1.57 0.00 0.00 52.86 52.90 1kht s ASN 3 Cb 0.00 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.55 1kht s ASN 3 CO 0.00 -0.21 1.46 -0.75 -2.57 0.00 0.00 177.10 175.02 1kht s LYS 4 N -2.21 4.25 -0.19 -0.60 2.20 -1.26 -4.87 119.74 117.06 1kht s LYS 4 Ca 0.53 2.33 0.01 0.00 -0.36 0.00 0.00 55.97 58.47 1kht s LYS 4 Cb -0.20 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1kht s LYS 4 CO 0.25 -0.44 -0.12 0.08 -0.36 0.00 0.00 175.35 174.76 1kht s VAL 5 N 0.03 1.68 -0.09 4.02 1.01 -1.26 -1.02 120.40 124.77 1kht s VAL 5 Ca 0.60 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1kht s VAL 5 Cb -0.42 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1kht s VAL 5 CO 0.43 0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.96 1kht s VAL 6 N 1.39 3.18 -0.19 2.92 1.01 0.90 -0.86 120.40 128.75 1kht s VAL 6 Ca -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1kht s VAL 6 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1kht s VAL 6 CO -0.09 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 1kht s VAL 7 N -0.21 3.29 -0.15 2.92 1.01 -0.39 0.15 120.40 127.01 1kht s VAL 7 Ca 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1kht s VAL 7 Cb -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1kht s VAL 7 CO 0.03 0.46 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 1kht s VAL 8 N 1.05 3.62 0.11 2.92 1.01 0.58 -0.15 120.40 129.55 1kht s VAL 8 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1kht s VAL 8 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1kht s VAL 8 CO -0.01 0.50 -0.08 0.42 0.00 0.00 0.00 175.10 175.93 1kht s THR 9 N 0.38 0.89 0.00 3.92 -4.23 0.14 -0.33 115.64 116.40 1kht s THR 9 Ca -0.06 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1kht s THR 9 Cb -0.15 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1kht s THR 9 CO 0.04 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1kht n GLY 10 N 0.02 1.82 3.76 3.99 0.00 -1.25 -0.77 105.19 112.76 1kht n GLY 10 Ca -0.12 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.52 3.08 0.18 1.61 -7.23 -1.26 -4.85 120.40 110.40 1kht s VAL 11 Ca 0.00 0.49 -0.33 0.00 -1.81 0.00 0.00 61.98 60.33 1kht s VAL 11 Cb 0.00 -3.00 -0.15 0.00 0.56 0.00 0.00 36.38 33.79 1kht s VAL 11 CO 0.00 -0.32 1.33 -2.65 -0.31 0.00 0.00 175.10 173.15 1kht n PRO 12 N -2.58 1.58 0.00 4.82 -0.02 -1.26 -1.69 135.00 135.85 1kht n PRO 12 Ca 0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1kht n PRO 12 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1kht n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kht n GLY 13 N 2.37 2.16 0.15 -1.23 0.00 -1.26 -4.89 105.19 102.49 1kht n GLY 13 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1kht n GLY 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kht h VAL 14 N 0.00 0.00 -0.70 1.61 3.04 -1.67 -3.46 116.25 115.07 1kht h VAL 14 Ca 0.00 -0.45 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 1kht h VAL 14 Cb 0.00 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1kht h VAL 14 CO 0.00 0.00 -0.08 0.61 -1.01 0.00 0.00 177.57 177.09 1kht n GLY 15 N 0.65 0.37 0.23 3.17 0.00 -1.26 -4.85 105.19 103.50 1kht n GLY 15 Ca 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 0.66 0.57 1.61 4.64 -1.89 -2.58 113.55 116.47 1kht h SER 16 Ca -0.07 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1kht h SER 16 Cb 1.05 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1kht h SER 16 CO 0.08 1.01 -0.27 0.74 -0.87 0.00 0.00 176.83 177.52 1kht h THR 17 N 0.49 0.00 -0.79 2.95 2.02 -1.94 -2.11 112.91 113.53 1kht h THR 17 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1kht h THR 17 Cb 0.97 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1kht h THR 17 CO 0.09 0.00 0.50 0.71 0.37 0.00 0.00 175.52 177.19 1kht h THR 18 N -0.84 1.21 -0.13 3.16 1.35 -1.99 -0.29 112.91 115.39 1kht h THR 18 Ca -0.08 -0.43 -0.15 0.00 -0.55 0.00 0.00 66.41 65.20 1kht h THR 18 Cb 0.59 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1kht h THR 18 CO 0.13 0.21 -0.56 0.77 -0.25 0.00 0.00 175.52 175.82 1kht h SER 19 N 1.08 0.44 0.23 5.36 4.64 -1.53 -1.28 113.55 122.49 1kht h SER 19 Ca 0.29 -0.24 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 1kht h SER 19 Cb -0.08 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1kht h SER 19 CO -0.06 0.91 -0.82 0.77 -0.87 0.00 0.00 176.83 176.76 1kht h SER 20 N 0.30 0.57 -0.18 4.97 4.64 -1.02 -2.36 113.55 120.47 1kht h SER 20 Ca 0.00 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1kht h SER 20 Cb 1.08 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1kht h SER 20 CO 0.10 1.17 0.11 1.56 -0.87 0.00 0.00 176.83 178.90 1kht h GLN 21 N 0.30 0.24 -0.93 4.77 1.08 -0.90 -0.47 115.11 119.19 1kht h GLN 21 Ca -0.05 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1kht h GLN 21 Cb 1.43 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.75 1kht h GLN 21 CO 0.15 0.20 0.61 -0.07 -0.95 0.00 0.00 178.83 178.77 1kht h LEU 22 N 0.22 0.95 -0.65 1.46 3.38 -1.20 -0.74 115.31 118.74 1kht h LEU 22 Ca 0.06 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1kht h LEU 22 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1kht h LEU 22 CO -0.01 0.62 0.06 0.00 0.09 0.00 0.00 178.44 179.19 1kht h ALA 23 N 1.49 0.86 0.00 1.53 0.00 -0.82 -2.55 119.26 119.77 1kht h ALA 23 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kht h ALA 23 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kht h ALA 23 CO -0.15 0.67 0.00 0.52 0.00 0.00 0.00 179.25 180.29 1kht h MET 24 N 1.02 0.00 -0.03 0.00 2.86 -0.17 -1.98 114.93 116.63 1kht h MET 24 Ca 0.19 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.60 1kht h MET 24 Cb 0.50 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.17 1kht h MET 24 CO 0.02 0.00 -0.91 -0.44 1.06 0.00 0.00 176.91 176.64 1kht h ASP 25 N 0.00 0.64 -0.03 1.22 3.32 -0.80 -2.77 116.42 118.00 1kht h ASP 25 Ca 0.00 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1kht h ASP 25 Cb 0.66 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1kht h ASP 25 CO 0.00 1.27 0.01 0.78 -1.72 0.00 0.00 179.24 179.58 1kht h ASN 26 N 0.30 0.04 0.47 6.45 4.21 -1.06 -2.92 115.58 123.07 1kht h ASN 26 Ca -0.08 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 1kht h ASN 26 Cb 1.54 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.72 1kht h ASN 26 CO 0.16 0.25 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.46 1kht h LEU 27 N -0.17 0.00 -0.47 1.61 3.38 -1.41 -2.23 115.31 116.01 1kht h LEU 27 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1kht h LEU 27 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1kht h LEU 27 CO -0.00 0.03 -0.07 -0.09 0.09 0.00 0.00 178.44 178.40 1kht h ARG 28 N 0.00 0.88 0.00 1.13 9.65 -1.29 0.11 114.38 124.87 1kht h ARG 28 Ca -0.00 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1kht h ARG 28 Cb 0.27 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1kht h ARG 28 CO 0.00 0.96 0.00 1.63 2.80 0.00 0.00 179.97 185.36 1kht n LYS 29 N -4.28 0.27 -0.55 0.20 5.02 -0.84 -2.17 118.16 115.81 1kht n LYS 29 Ca 0.00 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.35 1kht n LYS 29 Cb 0.36 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1kht n LYS 29 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1kht n GLU 30 N -1.02 0.51 0.00 1.97 0.28 -0.92 -5.01 120.64 116.46 1kht n GLU 30 Ca 0.07 -1.83 0.00 0.00 -0.16 0.00 0.00 57.16 55.24 1kht n GLU 30 Cb 0.03 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1kht n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kht n GLY 31 N -0.43 1.65 3.68 -1.84 0.00 -0.92 -5.04 105.19 102.29 1kht n GLY 31 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.33 4.99 -0.05 1.61 1.01 -0.02 -4.98 120.40 120.62 1kht s VAL 32 Ca 0.00 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1kht s VAL 32 Cb 0.00 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1kht s VAL 32 CO 0.00 0.14 -0.23 0.20 0.00 0.00 0.00 175.10 175.20 1kht s ASN 33 N 1.03 2.83 -0.03 3.32 -0.87 -1.26 -2.85 114.94 117.11 1kht s ASN 33 Ca 0.35 -0.46 0.04 0.00 -1.57 0.00 0.00 52.86 51.22 1kht s ASN 33 Cb -0.17 -0.68 -0.00 0.00 -0.02 0.00 0.00 41.25 40.38 1kht s ASN 33 CO 0.14 0.24 -0.14 -0.31 -2.57 0.00 0.00 177.10 174.46 1kht s TYR 34 N -0.21 1.37 -0.84 2.20 1.51 -1.26 -4.65 117.35 115.46 1kht s TYR 34 Ca -0.01 -0.34 -0.19 0.00 -1.01 0.00 0.00 57.07 55.51 1kht s TYR 34 Cb -0.12 -0.92 0.12 0.00 -0.11 0.00 0.00 41.96 40.92 1kht s TYR 34 CO 0.02 -0.10 1.05 0.21 -1.11 0.00 0.00 175.55 175.62 1kht s LYS 35 N -0.02 3.45 -0.12 -0.62 2.47 0.40 -4.87 119.74 120.42 1kht s LYS 35 Ca -0.01 -1.54 -0.29 0.00 -1.56 0.00 0.00 55.97 52.57 1kht s LYS 35 Cb -0.09 -4.71 -0.04 0.00 -1.46 0.00 0.00 37.83 31.53 1kht s LYS 35 CO 0.01 -1.75 1.60 -1.64 0.16 0.00 0.00 175.35 173.73 1kht s MET 36 N 2.93 4.04 -0.02 4.03 -1.94 -1.26 -1.48 119.30 125.60 1kht s MET 36 Ca 0.28 1.95 0.07 0.00 -1.71 0.00 0.00 55.69 56.28 1kht s MET 36 Cb -0.09 -3.98 -0.02 0.00 2.01 0.00 0.00 34.83 32.75 1kht s MET 36 CO -0.04 -1.00 -0.22 0.08 -0.01 0.00 0.00 175.02 173.83 1kht s VAL 37 N 4.43 1.74 -0.42 -6.03 1.01 -0.59 -4.95 120.40 115.59 1kht s VAL 37 Ca 0.71 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1kht s VAL 37 Cb -0.29 -1.45 0.07 0.00 0.00 0.00 0.00 36.38 34.71 1kht s VAL 37 CO 0.28 0.49 0.27 -0.55 0.00 0.00 0.00 175.10 175.58 1kht s SER 38 N -0.46 5.71 0.30 3.32 0.15 -1.26 0.04 113.70 121.50 1kht s SER 38 Ca 0.07 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.38 1kht s SER 38 Cb -0.09 -2.02 0.73 0.00 -1.71 0.00 0.00 66.02 62.93 1kht s SER 38 CO -0.00 -0.52 1.78 0.15 1.20 0.00 0.00 173.24 175.85 1kht h PHE 39 N 8.45 1.07 -0.72 3.44 3.04 -1.75 0.05 116.94 130.53 1kht h PHE 39 Ca -0.24 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.69 1kht h PHE 39 Cb 1.09 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.24 1kht h PHE 39 CO 0.61 0.26 0.25 0.78 -2.02 0.00 0.00 178.31 178.19 1kht h GLY 40 N 0.78 1.18 1.23 2.40 0.00 -1.92 -2.18 103.07 104.55 1kht h GLY 40 Ca 0.57 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1kht h GLY 40 CO -0.37 0.63 -0.38 1.76 0.00 0.00 0.00 176.54 178.18 1kht h SER 41 N 1.04 0.90 -0.77 0.19 0.02 -1.43 0.61 113.55 114.12 1kht h SER 41 Ca 0.23 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1kht h SER 41 Cb 0.26 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1kht h SER 41 CO -0.01 1.17 0.39 0.58 -1.14 0.00 0.00 176.83 177.82 1kht h VAL 42 N 0.70 1.24 0.00 2.27 2.07 -0.95 -1.24 116.25 120.34 1kht h VAL 42 Ca 0.06 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1kht h VAL 42 Cb 0.95 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1kht h VAL 42 CO 0.09 0.28 -0.57 0.00 0.02 0.00 0.00 177.57 177.39 1kht h MET 43 N 1.10 0.00 -0.30 1.57 -0.00 -1.30 -3.27 114.93 112.73 1kht h MET 43 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.84 1kht h MET 43 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1kht h MET 43 CO -0.04 0.00 -0.32 0.35 -0.00 0.00 0.00 176.91 176.90 1kht h PHE 44 N 0.00 0.89 -0.54 -0.10 3.57 -0.21 -0.13 116.94 120.42 1kht h PHE 44 Ca 0.00 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1kht h PHE 44 Cb 0.88 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1kht h PHE 44 CO 0.00 1.04 0.28 0.93 -2.23 0.00 0.00 178.31 178.33 1kht h GLU 45 N 0.49 0.75 0.03 1.11 3.07 -1.33 0.23 114.58 118.93 1kht h GLU 45 Ca 0.04 -0.08 -0.23 0.00 -0.50 0.00 0.00 59.36 58.60 1kht h GLU 45 Cb 0.89 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1kht h GLU 45 CO 0.08 0.56 -0.98 0.28 -1.40 0.00 0.00 179.01 177.55 1kht h VAL 46 N 0.75 1.45 -0.02 3.13 2.07 -1.56 -1.98 116.25 120.09 1kht h VAL 46 Ca 0.19 -2.62 -0.20 0.00 0.82 0.00 0.00 66.70 64.89 1kht h VAL 46 Cb 0.04 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1kht h VAL 46 CO -0.03 0.77 -0.85 0.00 0.02 0.00 0.00 177.57 177.49 1kht h ALA 47 N 0.77 0.51 -0.02 1.67 0.00 -0.50 -2.63 119.26 119.07 1kht h ALA 47 Ca -0.08 -0.69 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1kht h ALA 47 Cb 1.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1kht h ALA 47 CO 0.16 0.85 -0.89 -0.22 0.00 0.00 0.00 179.25 179.15 1kht h LYS 48 N 0.18 0.40 0.00 0.00 3.64 -0.62 -0.98 116.57 119.19 1kht h LYS 48 Ca -0.05 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1kht h LYS 48 Cb 1.46 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1kht h LYS 48 CO 0.14 1.07 -0.19 1.49 -2.27 0.00 0.00 179.45 179.69 1kht h GLU 49 N 0.24 0.00 -0.52 1.90 4.22 -1.33 -1.12 114.58 117.97 1kht h GLU 49 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1kht h GLU 49 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1kht h GLU 49 CO 0.15 0.19 0.00 0.39 -2.18 0.00 0.00 179.01 177.56 1kht n GLU 50 N -4.13 2.23 -3.11 1.92 1.02 -1.00 -4.94 120.64 112.65 1kht n GLU 50 Ca -0.02 -1.91 -0.22 0.00 -0.02 0.00 0.00 57.16 54.98 1kht n GLU 50 Cb 0.26 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.06 -5.21 -0.06 1.62 3.02 -0.43 -4.87 115.26 110.40 1kht n ASN 51 Ca 0.18 -0.30 -0.10 0.00 -0.03 0.00 0.00 54.58 54.34 1kht n ASN 51 Cb 0.46 -4.24 -0.15 0.00 -0.61 0.00 0.00 39.78 35.23 1kht n ASN 51 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kht n LEU 52 N -3.87 0.50 -4.02 3.41 4.77 -0.39 -4.99 117.00 112.41 1kht n LEU 52 Ca -0.08 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 1kht n LEU 52 Cb 0.59 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.88 1kht n LEU 52 CO 0.47 0.46 -0.35 0.68 -1.33 0.00 0.00 177.39 177.31 1kht s VAL 53 N -2.54 0.15 -0.22 4.08 -7.23 -1.20 -5.02 120.40 108.42 1kht s VAL 53 Ca -0.08 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1kht s VAL 53 Cb 0.07 -0.72 -0.20 0.00 0.56 0.00 0.00 36.38 36.09 1kht s VAL 53 CO 0.82 -0.68 -0.04 -1.20 -0.31 0.00 0.00 175.10 173.70 1kht n SER 54 N 1.05 1.80 -4.26 4.85 7.64 -1.26 -4.37 113.62 119.07 1kht n SER 54 Ca -0.20 -0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.49 1kht n SER 54 Cb 0.57 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1kht n SER 54 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1kht s ASP 55 N -6.53 1.91 0.46 6.43 1.47 -1.26 -5.05 116.67 114.09 1kht s ASP 55 Ca -0.29 -0.97 0.13 0.00 1.18 0.00 0.00 52.55 52.59 1kht s ASP 55 Cb 0.08 -0.04 1.06 0.00 -0.34 0.00 0.00 42.92 43.68 1kht s ASP 55 CO 0.67 -0.28 2.06 0.08 0.68 0.00 0.00 175.17 178.38 1kht h ARG 56 N 2.90 0.32 0.00 2.11 0.11 -1.95 -2.74 114.38 115.12 1kht h ARG 56 Ca -0.37 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1kht h ARG 56 Cb 1.20 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1kht h ARG 56 CO 0.61 0.21 0.00 -0.25 0.10 0.00 0.00 179.97 180.64 1kht n ASP 57 N -4.48 0.00 -0.00 0.08 10.43 -1.26 -2.86 116.55 118.46 1kht n ASP 57 Ca 0.04 -0.68 0.10 0.00 2.57 0.00 0.00 54.79 56.82 1kht n ASP 57 Cb 0.19 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.02 1kht n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kht n GLN 58 N -0.93 0.38 -0.09 -1.24 6.02 -1.03 -4.48 117.38 116.01 1kht n GLN 58 Ca 0.12 -0.08 0.03 0.00 -0.01 0.00 0.00 57.00 57.07 1kht n GLN 58 Cb 0.06 -1.48 0.36 0.00 1.02 0.00 0.00 30.24 30.19 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 0.71 0.00 -1.09 2.86 -1.70 -1.77 114.93 113.93 1kht h MET 59 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1kht h MET 59 Cb 0.68 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1kht h MET 59 CO 0.00 0.47 0.00 2.89 1.06 0.00 0.00 176.91 181.33 1kht n ARG 60 N -4.46 0.64 0.01 1.72 1.85 -1.26 -2.38 116.66 112.78 1kht n ARG 60 Ca 0.06 0.02 0.11 0.00 -1.00 0.00 0.00 57.85 57.03 1kht n ARG 60 Cb 0.07 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.93 1kht n ARG 60 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1kht n LYS 61 N -1.11 0.19 -1.13 2.89 4.76 -0.67 -4.12 118.16 118.97 1kht n LYS 61 Ca 0.17 -0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.27 1kht n LYS 61 Cb 0.13 -1.53 0.13 0.00 -1.84 0.00 0.00 35.03 31.92 1kht n LYS 61 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1kht s MET 62 N -3.14 1.60 0.54 1.97 -1.94 -1.00 -4.91 119.30 112.42 1kht s MET 62 Ca 0.05 1.10 -0.19 0.00 -1.71 0.00 0.00 55.69 54.93 1kht s MET 62 Cb 0.15 -1.83 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 1kht s MET 62 CO 0.84 -2.08 1.12 0.16 -0.01 0.00 0.00 175.02 175.04 1kht s ASP 63 N -3.26 5.77 0.26 3.03 -4.77 -1.26 -4.78 116.67 111.66 1kht s ASP 63 Ca 0.63 2.14 -0.05 0.00 -3.30 0.00 0.00 52.55 51.97 1kht s ASP 63 Cb -0.19 -2.58 0.51 0.00 -1.09 0.00 0.00 42.92 39.58 1kht s ASP 63 CO 0.57 -1.18 1.62 -0.65 0.70 0.00 0.00 175.17 176.22 1kht h PRO 64 N 1.18 0.08 -0.59 2.11 0.11 -1.95 -1.50 132.00 131.43 1kht h PRO 64 Ca -0.50 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 1kht h PRO 64 Cb 1.26 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1kht h PRO 64 CO 0.57 0.05 0.07 1.49 -0.21 0.00 0.00 178.00 179.97 1kht h GLU 65 N 0.08 0.18 -0.15 1.05 4.81 -1.99 0.26 114.58 118.82 1kht h GLU 65 Ca 0.46 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 1kht h GLU 65 Cb 0.84 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1kht h GLU 65 CO -0.74 0.12 -0.19 1.15 -0.73 0.00 0.00 179.01 178.61 1kht h THR 66 N 0.19 1.35 -0.69 0.32 2.02 -1.67 -2.40 112.91 112.03 1kht h THR 66 Ca 0.31 -1.40 0.04 0.00 0.77 0.00 0.00 66.41 66.14 1kht h THR 66 Cb 0.49 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 1kht h THR 66 CO -0.45 0.41 0.41 1.56 0.37 0.00 0.00 175.52 177.82 1kht h GLN 67 N 0.01 0.76 -0.16 6.66 4.20 -0.79 -1.21 115.11 124.58 1kht h GLN 67 Ca 0.02 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1kht h GLN 67 Cb 0.75 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1kht h GLN 67 CO 0.05 0.50 -0.32 0.87 -0.67 0.00 0.00 178.83 179.26 1kht h LYS 68 N 0.79 0.31 0.01 1.46 1.57 -0.51 0.09 116.57 120.29 1kht h LYS 68 Ca 0.29 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1kht h LYS 68 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1kht h LYS 68 CO -0.14 0.60 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.24 1kht h ARG 69 N 0.27 -0.02 0.00 3.15 2.43 -0.86 0.18 114.38 119.53 1kht h ARG 69 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1kht h ARG 69 Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1kht h ARG 69 CO 0.05 0.39 -0.06 0.82 -1.51 0.00 0.00 179.97 179.66 1kht h ILE 70 N -0.43 0.36 0.02 1.20 1.08 -1.17 -1.86 117.51 116.71 1kht h ILE 70 Ca -0.00 -0.37 -0.17 0.00 -0.39 0.00 0.00 64.86 63.93 1kht h ILE 70 Cb 0.41 1.26 0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1kht h ILE 70 CO 0.00 0.06 -0.69 -0.61 -0.69 0.00 0.00 178.15 176.23 1kht h GLN 71 N 0.00 0.43 -0.39 2.37 4.15 -0.59 -2.06 115.11 119.02 1kht h GLN 71 Ca -0.00 -0.49 0.03 0.00 0.77 0.00 0.00 58.65 58.96 1kht h GLN 71 Cb 0.26 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1kht h GLN 71 CO 0.01 1.15 0.20 -0.22 -1.93 0.00 0.00 178.83 178.04 1kht h LYS 72 N -0.08 0.40 -0.06 1.69 3.64 0.06 -0.75 116.57 121.46 1kht h LYS 72 Ca -0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1kht h LYS 72 Cb 1.41 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1kht h LYS 72 CO 0.13 0.26 0.03 0.52 -2.27 0.00 0.00 179.45 178.13 1kht h MET 73 N 0.41 0.09 -0.03 1.90 2.86 -1.42 -2.28 114.93 116.46 1kht h MET 73 Ca 0.16 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1kht h MET 73 Cb 0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1kht h MET 73 CO -0.11 0.19 0.03 0.00 1.06 0.00 0.00 176.91 178.08 1kht h ALA 74 N 0.90 1.72 -0.08 6.32 0.00 -1.10 -2.27 119.26 124.75 1kht h ALA 74 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1kht h ALA 74 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1kht h ALA 74 CO -0.00 -0.05 -0.05 0.78 0.00 0.00 0.00 179.25 179.93 1kht h GLY 75 N 0.00 0.19 1.01 0.00 0.00 -0.57 -2.71 103.07 101.00 1kht h GLY 75 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1kht h GLY 75 CO -0.00 0.16 0.52 3.21 0.00 0.00 0.00 176.54 180.43 1kht h ARG 76 N -0.21 1.08 -0.07 4.80 3.08 -1.13 0.04 114.38 121.97 1kht h ARG 76 Ca 0.02 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1kht h ARG 76 Cb 0.52 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1kht h ARG 76 CO 0.01 0.73 -0.21 0.87 -1.07 0.00 0.00 179.97 180.30 1kht h LYS 77 N 1.10 -0.29 -0.21 0.04 1.79 -1.40 -0.43 116.57 117.18 1kht h LYS 77 Ca 0.30 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.65 1kht h LYS 77 Cb -0.10 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1kht h LYS 77 CO -0.06 -0.19 -0.43 0.82 -1.08 0.00 0.00 179.45 178.50 1kht h ILE 78 N -0.30 1.31 -0.96 1.86 2.04 -1.27 -1.75 117.51 118.44 1kht h ILE 78 Ca 0.08 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 1kht h ILE 78 Cb 0.41 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1kht h ILE 78 CO -0.24 0.50 0.60 0.00 0.00 0.00 0.00 178.15 179.01 1kht h ALA 79 N 1.12 1.25 0.00 1.87 0.00 -0.57 0.11 119.26 123.04 1kht h ALA 79 Ca 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1kht h ALA 79 Cb 0.93 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1kht h ALA 79 CO 0.08 0.66 -0.59 0.93 0.00 0.00 0.00 179.25 180.33 1kht h GLU 80 N 1.31 0.00 0.00 0.00 5.08 -0.90 -2.88 114.58 117.19 1kht h GLU 80 Ca 0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1kht h GLU 80 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1kht h GLU 80 CO -0.07 0.59 -0.34 1.98 -1.00 0.00 0.00 179.01 180.17 1kht h MET 81 N 0.00 0.00 0.00 2.33 4.05 -0.20 -2.85 114.93 118.26 1kht h MET 81 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1kht h MET 81 Cb 1.04 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1kht h MET 81 CO 0.08 0.34 0.00 0.00 0.23 0.00 0.00 176.91 177.55 1kht n ALA 82 N -2.26 2.15 0.66 0.39 0.00 0.24 -3.29 120.51 118.40 1kht n ALA 82 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1kht n ALA 82 Cb 0.51 -1.45 0.47 0.00 0.00 0.00 0.00 19.45 18.98 1kht n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kht n LYS 83 N -2.11 0.11 -0.08 0.00 5.02 -1.08 -3.76 118.16 116.26 1kht n LYS 83 Ca 0.05 0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1kht n LYS 83 Cb 0.37 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1kht n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kht n GLU 84 N -1.85 1.33 -3.78 1.97 -0.58 -1.21 -5.02 120.64 111.51 1kht n GLU 84 Ca 0.05 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.72 1kht n GLU 84 Cb 0.30 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1kht n GLU 84 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1kht s SER 85 N -5.04 -0.28 0.02 1.62 1.04 -1.25 -5.12 113.70 104.69 1kht s SER 85 Ca -0.10 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 1kht s SER 85 Cb 0.05 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 1kht s SER 85 CO 0.63 -1.20 1.59 -2.16 0.98 0.00 0.00 173.24 173.08 1kht s PRO 86 N -3.76 4.21 -0.09 4.02 0.04 -1.26 -4.58 135.00 133.58 1kht s PRO 86 Ca 0.10 2.21 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 1kht s PRO 86 Cb -0.04 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1kht s PRO 86 CO 0.03 -0.72 0.08 0.08 0.04 0.00 0.00 177.00 176.51 1kht s VAL 87 N 2.93 4.93 -0.50 -0.36 1.01 -0.19 -0.45 120.40 127.77 1kht s VAL 87 Ca 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1kht s VAL 87 Cb -0.36 -3.14 0.13 0.00 0.00 0.00 0.00 36.38 33.01 1kht s VAL 87 CO 0.30 0.57 0.27 0.00 0.00 0.00 0.00 175.10 176.24 1kht s ALA 88 N -1.00 3.29 -0.39 5.51 0.00 -0.55 -0.07 121.76 128.55 1kht s ALA 88 Ca 0.16 -2.98 -0.27 0.00 0.00 0.00 0.00 51.96 48.86 1kht s ALA 88 Cb -0.12 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1kht s ALA 88 CO 0.05 -1.94 1.02 0.08 0.00 0.00 0.00 175.76 174.97 1kht s VAL 89 N 0.30 4.46 -0.34 0.00 1.01 0.39 -1.54 120.40 124.67 1kht s VAL 89 Ca 0.14 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 1kht s VAL 89 Cb -0.22 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1kht s VAL 89 CO -0.03 -0.67 0.78 -0.62 0.00 0.00 0.00 175.10 174.56 1kht s ASP 90 N 2.00 6.60 0.00 3.32 2.15 0.11 -0.31 116.67 130.54 1kht s ASP 90 Ca 0.42 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1kht s ASP 90 Cb -0.11 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1kht s ASP 90 CO 0.22 -0.67 0.00 1.07 -0.17 0.00 0.00 175.17 175.61 1kht n THR 91 N 5.67 0.00 -4.34 1.71 5.66 0.55 -1.92 114.28 121.60 1kht n THR 91 Ca 0.03 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.85 1kht n THR 91 Cb 0.48 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.12 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 -0.60 0.77 0.15 1.09 3.76 -1.26 -3.86 115.29 115.34 1kht s HIS 92 Ca 0.00 -0.15 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 1kht s HIS 92 Cb 0.00 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 33.22 1kht s HIS 92 CO 0.00 -0.01 1.67 1.03 -0.85 0.00 0.00 174.74 176.58 1kht h SER 93 N 5.94 0.69 -4.72 1.40 0.87 -1.90 -3.34 113.55 112.48 1kht h SER 93 Ca -0.30 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 59.93 1kht h SER 93 Cb 1.18 -0.18 -0.21 0.00 -0.44 0.00 0.00 62.40 62.75 1kht h SER 93 CO 0.50 0.71 -0.30 0.42 -0.53 0.00 0.00 176.83 177.63 1kht s THR 94 N -5.42 0.05 -0.11 2.23 -4.23 -1.26 -1.07 115.64 105.82 1kht s THR 94 Ca -0.13 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1kht s THR 94 Cb 0.11 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 1kht s THR 94 CO 0.78 -0.21 0.06 -0.69 -0.54 0.00 0.00 174.62 174.02 1kht s VAL 95 N -0.98 4.78 -0.58 2.29 1.01 0.60 -4.84 120.40 122.67 1kht s VAL 95 Ca -0.11 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1kht s VAL 95 Cb -0.05 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.32 1kht s VAL 95 CO 0.03 0.59 0.94 -0.55 0.00 0.00 0.00 175.10 176.11 1kht s SER 96 N -0.72 6.28 0.33 3.32 0.15 -1.26 -0.03 113.70 121.78 1kht s SER 96 Ca 0.12 -0.55 0.09 0.00 0.70 0.00 0.00 55.95 56.30 1kht s SER 96 Cb -0.12 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1kht s SER 96 CO 0.02 -1.29 0.08 0.42 1.20 0.00 0.00 173.24 173.68 1kht s THR 97 N 3.97 2.92 0.57 6.45 -4.23 -0.02 -4.92 115.64 120.38 1kht s THR 97 Ca 0.28 -1.81 0.27 0.00 -1.18 0.00 0.00 61.69 59.25 1kht s THR 97 Cb -0.14 -2.90 0.37 0.00 1.34 0.00 0.00 72.50 71.16 1kht s THR 97 CO 0.16 -0.20 2.04 -0.65 -0.54 0.00 0.00 174.62 175.43 1kht h PRO 98 N 1.67 0.00 -0.31 3.99 0.11 -1.92 0.43 132.00 135.97 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 0.64 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.06 1kht n LYS 99 N -3.94 2.01 0.00 1.05 4.76 -1.26 -5.04 118.16 115.74 1kht n LYS 99 Ca 0.04 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 1kht n LYS 99 Cb 0.44 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 1.25 -0.30 3.65 0.72 0.00 0.15 -4.99 105.19 105.67 1kht n GLY 100 Ca 0.17 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 0.00 2.79 -0.27 1.61 2.02 -1.26 -0.84 117.35 121.40 1kht s TYR 101 Ca 0.00 0.96 -0.16 0.00 -0.37 0.00 0.00 57.07 57.50 1kht s TYR 101 Cb 0.00 -3.63 -0.03 0.00 -0.40 0.00 0.00 41.96 37.90 1kht s TYR 101 CO 0.00 -1.72 0.45 -1.17 -1.57 0.00 0.00 175.55 171.54 1kht s LEU 102 N 3.79 4.06 0.13 -1.29 2.96 0.96 -4.85 118.68 124.45 1kht s LEU 102 Ca 0.55 0.38 -0.31 0.00 -0.22 0.00 0.00 54.13 54.53 1kht s LEU 102 Cb -0.20 -2.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.84 1kht s LEU 102 CO 0.17 -0.25 1.81 -2.16 -1.32 0.00 0.00 176.35 174.60 1kht s PRO 103 N 2.20 4.14 0.36 0.98 0.04 -1.26 -0.29 135.00 141.17 1kht s PRO 103 Ca 0.18 2.59 0.12 0.00 0.04 0.00 0.00 61.00 63.92 1kht s PRO 103 Cb -0.16 -3.54 0.70 0.00 0.04 0.00 0.00 34.50 31.53 1kht s PRO 103 CO 0.10 -0.83 1.82 0.78 0.04 0.00 0.00 177.00 178.91 1kht h GLY 104 N 8.44 0.04 -6.26 0.56 0.00 -1.22 -3.33 103.07 101.31 1kht h GLY 104 Ca -0.46 -0.04 -0.59 0.00 0.00 0.00 0.00 47.33 46.24 1kht h GLY 104 CO 0.95 0.03 -0.72 1.04 0.00 0.00 0.00 176.54 177.84 1kht n LEU 105 N -4.10 2.69 -4.66 3.11 4.77 -1.26 -4.98 117.00 112.57 1kht n LEU 105 Ca -0.02 -5.20 -0.30 0.00 -0.03 0.00 0.00 56.01 50.45 1kht n LEU 105 Cb 0.40 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 1kht n LEU 105 CO 0.39 2.02 0.66 -2.16 -1.33 0.00 0.00 177.39 176.96 1kht s PRO 106 N -1.96 0.87 0.07 3.23 0.04 -1.25 -4.21 135.00 131.78 1kht s PRO 106 Ca 0.37 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1kht s PRO 106 Cb 0.13 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 1kht s PRO 106 CO -0.06 -2.67 0.66 0.45 0.04 0.00 0.00 177.00 175.42 1kht n SER 107 N -4.24 -0.44 0.04 6.66 2.88 -1.26 -0.48 113.62 116.78 1kht n SER 107 Ca 0.10 0.76 -0.02 0.00 -1.33 0.00 0.00 58.87 58.38 1kht n SER 107 Cb 0.53 -0.11 0.25 0.00 -0.75 0.00 0.00 64.21 64.13 1kht n SER 107 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 1kht h TRP 108 N 0.00 0.46 -0.03 0.66 0.09 -2.00 -2.61 115.95 112.52 1kht h TRP 108 Ca 0.08 -0.08 -0.23 0.00 0.09 0.00 0.00 58.89 58.74 1kht h TRP 108 Cb 0.18 -0.12 0.01 0.00 0.08 0.00 0.00 29.16 29.31 1kht h TRP 108 CO -0.43 0.61 -0.93 0.28 0.09 0.00 0.00 178.44 178.05 1kht h VAL 109 N 0.38 1.34 -0.64 0.12 2.07 -1.09 -2.82 116.25 115.61 1kht h VAL 109 Ca 0.06 -2.27 0.06 0.00 0.82 0.00 0.00 66.70 65.38 1kht h VAL 109 Cb 0.58 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1kht h VAL 109 CO 0.04 0.69 0.34 0.25 0.02 0.00 0.00 177.57 178.91 1kht h LEU 110 N 0.34 0.50 -0.91 2.57 6.46 -0.94 -1.60 115.31 121.72 1kht h LEU 110 Ca -0.09 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.60 1kht h LEU 110 Cb 1.56 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 1kht h LEU 110 CO 0.17 0.32 -0.36 0.78 -0.62 0.00 0.00 178.44 178.74 1kht h ASN 111 N 0.63 0.37 0.37 1.25 -0.26 -1.46 0.59 115.58 117.08 1kht h ASN 111 Ca 0.29 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1kht h ASN 111 Cb 0.20 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1kht h ASN 111 CO -0.19 0.71 -0.18 -0.33 -1.06 0.00 0.00 177.43 176.38 1kht h GLU 112 N 0.31 -0.48 -0.12 0.81 5.08 -1.11 -3.25 114.58 115.81 1kht h GLU 112 Ca 0.03 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1kht h GLU 112 Cb 0.78 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1kht h GLU 112 CO 0.06 -0.19 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.25 1kht h LEU 113 N -0.77 0.43 -3.64 1.33 3.38 -1.30 -3.45 115.31 111.29 1kht h LEU 113 Ca -0.05 -0.23 -0.46 0.00 0.09 0.00 0.00 57.88 57.22 1kht h LEU 113 Cb 0.52 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1kht h LEU 113 CO 0.08 0.91 -1.01 -3.20 0.09 0.00 0.00 178.44 175.31 1kht n ASN 114 N -3.92 -4.32 -4.78 -0.43 5.15 0.21 -4.88 115.26 102.30 1kht n ASN 114 Ca -0.03 -0.92 -0.34 0.00 -0.60 0.00 0.00 54.58 52.70 1kht n ASN 114 Cb 0.60 -1.45 0.02 0.00 -0.53 0.00 0.00 39.78 38.43 1kht n ASN 114 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kht s PRO 115 N -4.87 3.11 -0.09 1.20 0.04 -1.26 -4.76 135.00 128.37 1kht s PRO 115 Ca 0.03 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.69 1kht s PRO 115 Cb -0.02 -1.99 -0.28 0.00 0.04 0.00 0.00 34.50 32.26 1kht s PRO 115 CO 0.82 -1.01 0.30 -0.25 0.04 0.00 0.00 177.00 176.90 1kht n ASP 116 N -1.92 0.43 -3.83 6.66 8.00 -0.04 -4.33 116.55 121.51 1kht n ASP 116 Ca 0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1kht n ASP 116 Cb 0.52 1.55 -0.14 0.00 -0.02 0.00 0.00 41.12 43.02 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 -4.76 1.60 -0.19 0.64 2.96 -1.20 -2.39 118.68 115.34 1kht s LEU 117 Ca -0.08 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1kht s LEU 117 Cb 0.10 0.10 0.04 0.00 0.50 0.00 0.00 46.19 46.93 1kht s LEU 117 CO 0.80 -0.05 -0.12 -0.63 -1.32 0.00 0.00 176.35 175.03 1kht s ILE 118 N 0.34 1.69 -0.19 6.68 -1.09 0.13 -1.27 121.20 127.49 1kht s ILE 118 Ca -0.03 -0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 1kht s ILE 118 Cb -0.04 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1kht s ILE 118 CO -0.01 0.27 0.04 -0.63 -1.23 0.00 0.00 174.94 173.37 1kht s ILE 119 N 1.40 4.46 -0.26 2.92 1.01 0.79 -0.22 121.20 131.30 1kht s ILE 119 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1kht s ILE 119 Cb -0.15 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1kht s ILE 119 CO -0.09 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 1kht s VAL 120 N 0.56 3.05 -0.27 2.92 1.01 0.12 0.25 120.40 128.05 1kht s VAL 120 Ca 0.01 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1kht s VAL 120 Cb -0.13 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1kht s VAL 120 CO 0.02 0.15 0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1kht s VAL 121 N 1.34 5.21 0.44 2.92 1.01 0.05 -0.66 120.40 130.72 1kht s VAL 121 Ca -0.00 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1kht s VAL 121 Cb -0.17 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1kht s VAL 121 CO -0.03 0.28 0.07 -1.61 0.00 0.00 0.00 175.10 173.80 1kht s GLU 122 N 1.62 2.00 0.07 2.72 2.02 -0.32 -4.40 118.70 122.41 1kht s GLU 122 Ca 0.07 -2.23 -0.22 0.00 0.02 0.00 0.00 54.97 52.61 1kht s GLU 122 Cb -0.15 -1.04 0.07 0.00 0.10 0.00 0.00 34.13 33.11 1kht s GLU 122 CO 0.09 -0.38 1.01 -2.37 0.02 0.00 0.00 175.26 173.63 1kht n THR 123 N -1.02 0.00 -2.06 3.63 5.66 -1.26 -0.69 114.28 118.54 1kht n THR 123 Ca -0.10 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.26 1kht n THR 123 Cb 0.66 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 1kht n THR 123 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1kht s THR 124 N -2.08 4.26 0.36 1.09 -4.23 -1.26 -4.92 115.64 108.85 1kht s THR 124 Ca 0.23 0.96 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1kht s THR 124 Cb -0.02 -3.59 0.20 0.00 1.34 0.00 0.00 72.50 70.44 1kht s THR 124 CO 0.02 -0.74 1.94 1.23 -0.54 0.00 0.00 174.62 176.53 1kht h GLY 125 N 0.28 0.64 0.73 3.99 0.00 -1.93 -1.91 103.07 104.87 1kht h GLY 125 Ca -0.46 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1kht h GLY 125 CO 0.60 0.30 -0.02 -0.55 0.00 0.00 0.00 176.54 176.86 1kht h ASP 126 N 0.59 -0.11 -0.59 0.19 3.32 -1.92 0.05 116.42 117.96 1kht h ASP 126 Ca 0.14 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1kht h ASP 126 Cb 0.15 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1kht h ASP 126 CO -0.01 -0.03 0.07 -0.33 -1.72 0.00 0.00 179.24 177.22 1kht h GLU 127 N 0.02 1.01 -0.40 3.56 5.08 -1.88 -1.96 114.58 120.01 1kht h GLU 127 Ca 0.07 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 1kht h GLU 127 Cb 0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1kht h GLU 127 CO -0.14 0.95 -0.17 0.82 -1.00 0.00 0.00 179.01 179.47 1kht h ILE 128 N 0.95 1.26 -0.00 3.13 2.04 -0.96 -0.52 117.51 123.41 1kht h ILE 128 Ca 0.19 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1kht h ILE 128 Cb 0.45 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1kht h ILE 128 CO 0.02 0.42 -0.00 0.25 0.00 0.00 0.00 178.15 178.83 1kht h LEU 129 N 0.67 0.00 -1.51 1.44 5.85 -0.83 -1.69 115.31 119.23 1kht h LEU 129 Ca 0.10 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1kht h LEU 129 Cb 0.65 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1kht h LEU 129 CO 0.05 0.36 0.34 -0.03 -0.34 0.00 0.00 178.44 178.82 1kht h MET 130 N -0.36 0.64 -0.19 1.25 4.05 -1.25 0.30 114.93 119.37 1kht h MET 130 Ca 0.00 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 1kht h MET 130 Cb 0.36 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1kht h MET 130 CO 0.00 0.43 -0.26 0.00 0.23 0.00 0.00 176.91 177.30 1kht h ARG 131 N 0.66 0.51 0.00 0.39 3.08 -0.98 -2.95 114.38 115.09 1kht h ARG 131 Ca 0.20 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1kht h ARG 131 Cb -0.02 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1kht h ARG 131 CO -0.05 0.89 -0.13 0.00 -1.07 0.00 0.00 179.97 179.62 1kht h ARG 132 N 0.17 0.00 0.00 0.04 3.08 -0.59 -2.68 114.38 114.39 1kht h ARG 132 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1kht h ARG 132 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1kht h ARG 132 CO 0.06 0.13 -0.33 1.98 -1.07 0.00 0.00 179.97 180.74 1kht h MET 133 N 0.00 0.00 -0.01 0.04 4.05 -0.79 -3.05 114.93 115.17 1kht h MET 133 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1kht h MET 133 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1kht h MET 133 CO 0.02 0.33 -0.43 -1.13 0.23 0.00 0.00 176.91 175.93 1kht n SER 134 N -4.10 1.71 -4.60 1.39 3.41 -1.04 -4.90 113.62 105.50 1kht n SER 134 Ca -0.02 -1.35 -0.43 0.00 -0.26 0.00 0.00 58.87 56.81 1kht n SER 134 Cb 0.38 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -2.17 6.65 0.00 4.04 3.68 -1.05 -4.86 116.67 122.95 1kht s ASP 135 Ca 0.15 0.48 0.20 0.00 2.13 0.00 0.00 52.55 55.50 1kht s ASP 135 Cb 0.15 -2.49 -0.20 0.00 -1.45 0.00 0.00 42.92 38.93 1kht s ASP 135 CO 0.49 -1.00 0.85 -0.62 0.13 0.00 0.00 175.17 175.02 1kht n GLU 136 N 7.12 0.58 0.20 4.34 -0.58 -1.26 -4.38 120.64 126.67 1kht n GLU 136 Ca 0.08 -0.07 0.06 0.00 -0.42 0.00 0.00 57.16 56.82 1kht n GLU 136 Cb 0.48 -1.43 0.44 0.00 -0.57 0.00 0.00 31.44 30.37 1kht n GLU 136 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1kht h THR 137 N 0.16 0.99 -3.94 2.62 2.02 -1.98 -3.45 112.91 109.32 1kht h THR 137 Ca 0.00 -1.17 -0.21 0.00 0.77 0.00 0.00 66.41 65.80 1kht h THR 137 Cb 0.48 1.68 -0.15 0.00 -1.74 0.00 0.00 68.15 68.42 1kht h THR 137 CO 0.00 0.31 -0.68 -0.13 0.37 0.00 0.00 175.52 175.38 1kht s ARG 138 N -4.03 0.84 -0.63 6.66 0.52 -1.26 -5.11 118.95 115.95 1kht s ARG 138 Ca -0.02 -1.36 -0.22 0.00 -0.52 0.00 0.00 55.73 53.61 1kht s ARG 138 Cb 0.13 -0.10 0.07 0.00 0.52 0.00 0.00 34.95 35.58 1kht s ARG 138 CO 0.68 -0.08 0.91 0.08 0.02 0.00 0.00 175.30 176.92 1kht s VAL 139 N -3.72 4.42 0.49 3.52 1.01 -1.26 -4.98 120.40 119.87 1kht s VAL 139 Ca 0.14 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1kht s VAL 139 Cb 0.06 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1kht s VAL 139 CO -0.04 -1.36 0.69 -0.13 0.00 0.00 0.00 175.10 174.27 1kht s ARG 140 N 3.81 2.75 0.00 2.72 3.00 -1.26 -4.96 118.95 125.00 1kht s ARG 140 Ca 0.21 -0.81 0.26 0.00 0.00 0.00 0.00 55.73 55.39 1kht s ARG 140 Cb -0.18 -2.58 0.87 0.00 0.00 0.00 0.00 34.95 33.07 1kht s ARG 140 CO 0.10 -0.48 1.64 -0.25 0.00 0.00 0.00 175.30 176.31 1kht n ASP 141 N -2.15 1.75 -3.58 0.23 10.43 -1.26 -4.98 116.55 117.00 1kht n ASP 141 Ca 0.06 -1.62 -0.12 0.00 2.57 0.00 0.00 54.79 55.68 1kht n ASP 141 Cb 0.59 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.52 1kht n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kht n LEU 142 N 0.37 -0.17 0.00 0.64 -0.00 -1.26 -4.93 117.00 111.66 1kht n LEU 142 Ca 0.18 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1kht n LEU 142 Cb 0.38 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1kht n LEU 142 CO 0.15 0.22 0.00 0.47 -0.00 0.00 0.00 177.39 178.23 1kht n ASP 143 N -0.11 0.00 -4.87 1.45 8.00 -1.26 -5.09 116.55 114.67 1kht n ASP 143 Ca -0.05 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1kht n ASP 143 Cb 0.18 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1kht n ASP 143 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1kht s THR 144 N 0.54 4.56 0.38 -3.53 -4.23 -1.26 -4.98 115.64 107.13 1kht s THR 144 Ca 0.00 -1.29 0.14 0.00 -1.18 0.00 0.00 61.69 59.36 1kht s THR 144 Cb 0.00 -3.50 0.36 0.00 1.34 0.00 0.00 72.50 70.70 1kht s THR 144 CO 0.00 -0.33 1.83 0.00 -0.54 0.00 0.00 174.62 175.58 1kht h ALA 145 N 1.38 2.06 -0.58 3.99 0.00 -1.97 -0.28 119.26 123.86 1kht h ALA 145 Ca -0.49 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1kht h ALA 145 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1kht h ALA 145 CO 0.60 -0.37 -0.00 0.77 0.00 0.00 0.00 179.25 180.25 1kht h SER 146 N 0.51 1.00 -0.56 0.00 0.02 -1.94 -0.51 113.55 112.08 1kht h SER 146 Ca 0.50 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1kht h SER 146 Cb 1.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1kht h SER 146 CO -0.23 1.07 -0.09 0.74 -1.14 0.00 0.00 176.83 177.18 1kht h THR 147 N 0.91 1.27 -0.46 -2.27 2.02 -1.48 -0.18 112.91 112.72 1kht h THR 147 Ca 0.16 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1kht h THR 147 Cb 0.55 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1kht h THR 147 CO 0.03 0.45 0.01 0.40 0.37 0.00 0.00 175.52 176.78 1kht h ILE 148 N 0.94 1.23 -0.50 3.11 2.04 -1.05 -0.55 117.51 122.73 1kht h ILE 148 Ca 0.15 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 1kht h ILE 148 Cb 0.66 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1kht h ILE 148 CO 0.05 0.33 -0.12 -0.33 0.00 0.00 0.00 178.15 178.08 1kht h GLU 149 N 0.70 0.95 -0.59 2.37 4.39 -0.67 -1.49 114.58 120.24 1kht h GLU 149 Ca 0.14 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1kht h GLU 149 Cb 0.41 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1kht h GLU 149 CO 0.02 1.01 0.33 0.37 -1.16 0.00 0.00 179.01 179.57 1kht h GLN 150 N 0.84 0.82 -0.43 2.33 4.15 -0.29 0.13 115.11 122.66 1kht h GLN 150 Ca 0.13 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1kht h GLN 150 Cb 0.67 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1kht h GLN 150 CO 0.05 0.62 0.27 1.25 -1.93 0.00 0.00 178.83 179.09 1kht h HIS 151 N 0.80 0.56 0.00 3.99 2.76 -0.85 -1.44 115.15 120.97 1kht h HIS 151 Ca 0.21 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1kht h HIS 151 Cb 0.04 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 1kht h HIS 151 CO -0.01 0.37 -0.16 1.96 -1.30 0.00 0.00 177.93 178.79 1kht h GLN 152 N 0.58 0.00 0.07 5.26 4.20 -0.58 0.04 115.11 124.68 1kht h GLN 152 Ca 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1kht h GLN 152 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1kht h GLN 152 CO -0.03 0.16 -0.03 0.35 -0.67 0.00 0.00 178.83 178.61 1kht h PHE 153 N 0.00 -0.08 0.00 2.96 3.04 0.19 -2.51 116.94 120.54 1kht h PHE 153 Ca -0.00 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1kht h PHE 153 Cb 0.35 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1kht h PHE 153 CO 0.00 0.31 -0.28 0.52 -2.02 0.00 0.00 178.31 176.84 1kht h MET 154 N -0.50 0.00 -0.60 1.11 2.86 -0.87 -2.47 114.93 114.46 1kht h MET 154 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1kht h MET 154 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1kht h MET 154 CO 0.01 0.28 0.05 -0.91 1.06 0.00 0.00 176.91 177.41 1kht h ASN 155 N 0.00 0.97 -0.22 1.22 -0.26 -0.91 -0.48 115.58 115.90 1kht h ASN 155 Ca -0.00 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.48 1kht h ASN 155 Cb 0.53 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1kht h ASN 155 CO 0.04 1.00 0.06 0.03 -1.06 0.00 0.00 177.43 177.50 1kht h ARG 156 N 0.94 0.34 -0.03 0.81 3.08 -1.03 0.14 114.38 118.63 1kht h ARG 156 Ca 0.18 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1kht h ARG 156 Cb 0.47 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1kht h ARG 156 CO 0.02 0.44 -0.10 0.00 -1.07 0.00 0.00 179.97 179.26 1kht h ALA 158 N 0.84 0.37 -0.45 0.00 0.00 -1.00 -2.04 119.26 116.98 1kht h ALA 158 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1kht h ALA 158 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1kht h ALA 158 CO -0.13 -0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.27 1kht h ALA 159 N 0.99 0.56 0.00 0.00 0.00 -0.47 -0.54 119.26 119.80 1kht h ALA 159 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1kht h ALA 159 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1kht h ALA 159 CO -0.01 -0.15 -0.17 1.98 0.00 0.00 0.00 179.25 180.90 1kht h MET 160 N 0.42 0.00 -0.24 0.00 -1.53 -0.85 -1.77 114.93 110.96 1kht h MET 160 Ca 0.20 0.00 -0.16 0.00 -3.44 0.00 0.00 59.70 56.30 1kht h MET 160 Cb 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1kht h MET 160 CO -0.15 0.17 -0.45 0.77 0.14 0.00 0.00 176.91 177.38 1kht h SER 161 N 0.00 0.82 -0.73 1.39 0.02 -0.40 -1.85 113.55 112.80 1kht h SER 161 Ca -0.00 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1kht h SER 161 Cb 0.40 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1kht h SER 161 CO 0.02 1.20 0.46 1.88 -1.14 0.00 0.00 176.83 179.26 1kht h TYR 162 N 0.47 0.86 -0.74 3.45 0.05 -0.55 -0.88 116.97 119.63 1kht h TYR 162 Ca 0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1kht h TYR 162 Cb 1.06 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 1kht h TYR 162 CO 0.08 0.50 0.38 0.78 -1.05 0.00 0.00 178.16 178.85 1kht h GLY 163 N 0.90 1.12 1.76 3.88 0.00 -1.21 -0.37 103.07 109.15 1kht h GLY 163 Ca 0.29 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1kht h GLY 163 CO -0.11 0.50 -0.41 -2.08 0.00 0.00 0.00 176.54 174.44 1kht h VAL 164 N 1.02 1.31 0.06 4.60 2.07 -0.71 0.64 116.25 125.24 1kht h VAL 164 Ca 0.26 -1.53 -0.20 0.00 0.82 0.00 0.00 66.70 66.05 1kht h VAL 164 Cb 0.07 1.68 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1kht h VAL 164 CO -0.04 0.46 -0.82 -0.07 0.02 0.00 0.00 177.57 177.13 1kht h LEU 165 N 0.22 0.62 0.00 2.57 3.38 -0.84 -3.37 115.31 117.90 1kht h LEU 165 Ca 0.02 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1kht h LEU 165 Cb 0.82 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1kht h LEU 165 CO 0.07 1.37 -1.68 0.35 0.09 0.00 0.00 178.44 178.63 1kht n THR 166 N -4.08 0.13 -0.56 0.22 -2.24 -0.18 -4.96 114.28 102.61 1kht n THR 166 Ca -0.12 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1kht n THR 166 Cb 0.79 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.27 0.75 3.75 3.38 0.00 0.22 -5.01 105.19 109.55 1kht n GLY 167 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.63 2.31 0.18 4.61 0.00 -1.10 -4.97 121.76 120.16 1kht s ALA 168 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 1kht s ALA 168 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1kht s ALA 168 CO 0.00 -1.54 0.48 0.95 0.00 0.00 0.00 175.76 175.65 1kht s THR 169 N -2.20 5.01 -0.25 0.00 -4.23 -1.00 -4.40 115.64 108.56 1kht s THR 169 Ca 0.70 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.57 1kht s THR 169 Cb -0.24 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1kht s THR 169 CO 0.43 0.04 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.82 1kht s VAL 170 N -1.68 3.06 -0.24 2.29 1.01 -1.26 -0.70 120.40 122.89 1kht s VAL 170 Ca 0.43 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1kht s VAL 170 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1kht s VAL 170 CO 0.21 0.20 0.08 -0.75 0.00 0.00 0.00 175.10 174.85 1kht s LYS 171 N 1.36 3.76 -0.26 2.72 2.47 0.70 -4.99 119.74 125.50 1kht s LYS 171 Ca 0.01 -0.43 -0.10 0.00 -1.56 0.00 0.00 55.97 53.89 1kht s LYS 171 Cb -0.16 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.83 1kht s LYS 171 CO -0.03 -0.08 0.15 0.42 0.16 0.00 0.00 175.35 175.96 1kht s ILE 172 N 1.34 5.01 -0.08 5.43 1.01 -1.26 0.12 121.20 132.77 1kht s ILE 172 Ca 0.05 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1kht s ILE 172 Cb -0.15 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1kht s ILE 172 CO 0.04 0.29 -0.21 -0.69 0.00 0.00 0.00 174.94 174.37 1kht s VAL 173 N 1.58 1.84 -0.14 2.92 1.01 0.16 -4.98 120.40 122.79 1kht s VAL 173 Ca 0.07 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1kht s VAL 173 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1kht s VAL 173 CO 0.08 0.51 0.60 -1.10 0.00 0.00 0.00 175.10 175.19 1kht s GLN 174 N 0.28 4.30 -0.76 2.72 -1.52 -1.26 -1.18 119.66 122.25 1kht s GLN 174 Ca -0.14 0.63 0.03 0.00 -1.95 0.00 0.00 55.36 53.93 1kht s GLN 174 Cb -0.16 -3.51 0.19 0.00 -0.22 0.00 0.00 33.01 29.31 1kht s GLN 174 CO 0.07 -0.05 0.60 -1.71 -0.25 0.00 0.00 175.29 173.94 1kht n ASN 175 N 4.35 3.43 -4.87 5.90 5.15 0.13 -4.46 115.26 124.89 1kht n ASN 175 Ca -0.03 -3.22 -0.31 0.00 -0.60 0.00 0.00 54.58 50.42 1kht n ASN 175 Cb 0.51 -0.83 -0.04 0.00 -0.53 0.00 0.00 39.78 38.88 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 -1.56 3.82 0.27 1.20 0.52 -1.26 -4.73 118.95 117.21 1kht s ARG 176 Ca 0.27 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 1kht s ARG 176 Cb -0.03 -2.50 -0.14 0.00 0.52 0.00 0.00 34.95 32.80 1kht s ARG 176 CO -0.14 0.13 1.16 0.09 0.02 0.00 0.00 175.30 176.55 1kht n ASN 177 N -0.74 1.83 0.00 0.23 3.02 -1.26 -0.67 115.26 117.67 1kht n ASN 177 Ca 0.02 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 1kht n ASN 177 Cb 0.53 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 1.43 0.29 1.36 7.41 0.00 -1.26 -4.83 105.19 109.58 1kht n GLY 178 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 1.43 -0.31 0.99 4.77 0.16 -4.87 117.00 119.16 1kht n LEU 179 Ca 0.00 -2.47 -0.01 0.00 -0.03 0.00 0.00 56.01 53.49 1kht n LEU 179 Cb 0.21 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1kht n LEU 179 CO 0.00 0.73 1.21 0.25 -1.33 0.00 0.00 177.39 178.25 1kht h LEU 180 N 1.07 0.91 -0.61 2.23 5.85 -1.88 -2.48 115.31 120.39 1kht h LEU 180 Ca -0.17 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1kht h LEU 180 Cb 1.68 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1kht h LEU 180 CO 0.09 0.62 0.22 0.44 -0.34 0.00 0.00 178.44 179.46 1kht h ASP 181 N 1.06 0.20 -0.82 1.25 3.45 -1.94 0.39 116.42 120.01 1kht h ASP 181 Ca 0.35 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.85 1kht h ASP 181 Cb 0.03 0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 38.83 1kht h ASP 181 CO -0.12 0.12 0.37 1.56 -1.57 0.00 0.00 179.24 179.60 1kht h GLN 182 N 0.39 1.20 -0.38 3.56 7.50 -1.84 -0.53 115.11 125.01 1kht h GLN 182 Ca 0.31 -0.19 -0.06 0.00 0.50 0.00 0.00 58.65 59.20 1kht h GLN 182 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1kht h GLN 182 CO -0.31 0.94 0.01 0.00 -1.50 0.00 0.00 178.83 177.97 1kht h ALA 183 N 1.20 0.51 -0.62 3.87 0.00 -0.75 -1.65 119.26 121.81 1kht h ALA 183 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1kht h ALA 183 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1kht h ALA 183 CO -0.03 0.27 0.22 0.28 0.00 0.00 0.00 179.25 179.99 1kht h VAL 184 N 0.48 1.24 -0.31 0.00 2.07 0.02 -0.38 116.25 119.38 1kht h VAL 184 Ca 0.11 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1kht h VAL 184 Cb 0.45 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1kht h VAL 184 CO 0.02 0.30 0.17 -0.08 0.02 0.00 0.00 177.57 178.00 1kht h GLU 185 N 0.88 0.42 -0.74 1.57 4.57 -0.98 -0.05 114.58 120.26 1kht h GLU 185 Ca 0.20 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1kht h GLU 185 Cb 0.24 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1kht h GLU 185 CO -0.01 0.35 0.36 1.49 -1.18 0.00 0.00 179.01 180.02 1kht h GLU 186 N 0.38 1.06 -0.54 1.92 4.81 -1.08 -1.93 114.58 119.19 1kht h GLU 186 Ca 0.11 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1kht h GLU 186 Cb 0.05 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1kht h GLU 186 CO -0.02 0.83 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.93 1kht h LEU 187 N 1.04 1.00 -0.52 1.64 3.38 -0.80 -2.64 115.31 118.40 1kht h LEU 187 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1kht h LEU 187 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1kht h LEU 187 CO -0.03 1.10 0.28 0.74 0.09 0.00 0.00 178.44 180.62 1kht h THR 188 N 0.90 1.18 -0.56 0.22 2.02 -0.70 -1.18 112.91 114.80 1kht h THR 188 Ca 0.14 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1kht h THR 188 Cb 0.64 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1kht h THR 188 CO 0.04 0.20 0.12 0.78 0.37 0.00 0.00 175.52 177.03 1kht h ASN 189 N 0.70 0.86 0.39 4.18 -0.26 -1.26 0.12 115.58 120.31 1kht h ASN 189 Ca 0.18 -0.24 -0.15 0.00 -0.56 0.00 0.00 56.30 55.53 1kht h ASN 189 Cb 0.07 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1kht h ASN 189 CO -0.03 0.88 -0.61 1.62 -1.06 0.00 0.00 177.43 178.23 1kht h VAL 190 N 0.81 1.39 0.00 2.81 3.04 -1.36 -3.15 116.25 119.79 1kht h VAL 190 Ca 0.17 -2.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.85 1kht h VAL 190 Cb 0.37 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1kht h VAL 190 CO 0.01 0.59 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.83 1kht h LEU 191 N 0.16 0.00 0.00 3.16 3.38 -1.07 -3.52 115.31 117.42 1kht h LEU 191 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1kht h LEU 191 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1kht h LEU 191 CO 0.09 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.48