#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khp s MET 1 N 0.00 4.56 0.12 -1.46 -1.94 -1.26 -4.84 119.30 114.48 3khp s MET 1 Ca 0.00 1.76 -0.15 0.00 -1.71 0.00 0.00 55.69 55.59 3khp s MET 1 Cb 0.00 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.73 3khp s MET 1 CO 0.00 0.15 1.60 0.00 -0.01 0.00 0.00 175.02 176.76 3khp h ALA 2 N 3.60 0.51 -3.27 3.03 0.00 -1.94 -2.09 119.26 119.11 3khp h ALA 2 Ca -0.47 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 53.66 3khp h ALA 2 Cb 1.21 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 3khp h ALA 2 CO 0.66 0.23 -0.76 0.42 0.00 0.00 0.00 179.25 179.80 3khp s ILE 3 N -5.16 0.84 -0.43 0.00 1.01 -1.26 -1.75 121.20 114.45 3khp s ILE 3 Ca -0.13 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.27 3khp s ILE 3 Cb 0.10 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3khp s ILE 3 CO 0.78 -0.42 0.53 -0.62 0.00 0.00 0.00 174.94 175.21 3khp s ASP 4 N 1.67 6.25 0.52 3.58 -1.08 -0.33 -4.91 116.67 122.37 3khp s ASP 4 Ca 0.03 -0.53 0.35 0.00 -0.52 0.00 0.00 52.55 51.89 3khp s ASP 4 Cb -0.17 -2.27 1.86 0.00 -1.46 0.00 0.00 42.92 40.88 3khp s ASP 4 CO -0.16 -0.67 2.07 1.55 0.52 0.00 0.00 175.17 178.48 3khp h PRO 5 N 8.80 0.00 -0.00 4.34 0.13 -1.89 -0.33 132.00 143.04 3khp h PRO 5 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3khp h PRO 5 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3khp h PRO 5 CO 0.84 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.69 3khp n ASN 6 N -2.76 0.19 -0.32 1.44 3.02 -1.26 -3.62 115.26 111.96 3khp n ASN 6 Ca -0.02 -0.85 0.14 0.00 -0.03 0.00 0.00 54.58 53.82 3khp n ASN 6 Cb 0.08 -0.06 0.65 0.00 -0.61 0.00 0.00 39.78 39.84 3khp n ASN 6 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3khp n SER 7 N -0.93 0.99 -4.67 6.41 3.41 -0.14 -4.83 113.62 113.86 3khp n SER 7 Ca 0.21 -1.35 -0.43 0.00 -0.26 0.00 0.00 58.87 57.03 3khp n SER 7 Cb 0.17 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3khp n SER 7 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3khp n ILE 8 N -0.22 0.71 0.00 -1.33 5.41 -1.24 -1.96 119.36 120.73 3khp n ILE 8 Ca 0.20 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3khp n ILE 8 Cb 0.27 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 3khp n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khp n GLY 9 N 4.51 0.30 3.76 7.39 0.00 -0.37 -5.05 105.19 115.73 3khp n GLY 9 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3khp n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 10 N -2.00 2.96 0.05 4.61 0.00 -0.83 -4.82 121.76 121.73 3khp s ALA 10 Ca 0.00 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 3khp s ALA 10 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3khp s ALA 10 CO 0.00 -0.88 0.03 0.14 0.00 0.00 0.00 175.76 175.05 3khp s VAL 11 N -1.44 0.17 0.31 0.00 -7.23 -1.26 -1.38 120.40 109.57 3khp s VAL 11 Ca 0.65 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 3khp s VAL 11 Cb -0.33 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3khp s VAL 11 CO 0.40 -0.78 0.49 0.42 -0.31 0.00 0.00 175.10 175.32 3khp s THR 12 N -3.23 5.15 0.54 5.32 -4.23 -0.59 -5.00 115.64 113.60 3khp s THR 12 Ca 0.00 -0.59 -0.21 0.00 -1.18 0.00 0.00 61.69 59.71 3khp s THR 12 Cb 0.03 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3khp s THR 12 CO -0.07 -0.48 1.32 -1.61 -0.54 0.00 0.00 174.62 173.23 3khp s GLU 13 N -4.18 3.17 0.12 3.99 0.41 -1.26 -4.55 118.70 116.39 3khp s GLU 13 Ca 0.38 2.13 -0.36 0.00 -0.41 0.00 0.00 54.97 56.72 3khp s GLU 13 Cb -0.09 -2.23 -0.16 0.00 -1.78 0.00 0.00 34.13 29.87 3khp s GLU 13 CO 0.34 -1.13 1.36 -2.30 -0.49 0.00 0.00 175.26 173.04 3khp n PRO 14 N -1.06 1.36 -4.70 0.39 -0.02 -1.26 -4.80 135.00 124.91 3khp n PRO 14 Ca 0.11 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3khp n PRO 14 Cb 0.46 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 3khp n PRO 14 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3khp s MET 15 N 0.42 3.31 -0.37 -0.52 1.75 0.01 -4.90 119.30 119.00 3khp s MET 15 Ca 0.81 -0.64 -0.23 0.00 -1.25 0.00 0.00 55.69 54.39 3khp s MET 15 Cb -0.88 -2.66 0.01 0.00 2.84 0.00 0.00 34.83 34.14 3khp s MET 15 CO 0.46 0.30 0.75 -1.17 -0.65 0.00 0.00 175.02 174.71 3khp s LEU 16 N 0.15 4.17 -0.29 4.11 2.96 -1.26 -0.46 118.68 128.06 3khp s LEU 16 Ca -0.05 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 3khp s LEU 16 Cb -0.15 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 3khp s LEU 16 CO 0.04 -0.73 0.19 -0.36 -1.32 0.00 0.00 176.35 174.18 3khp s PHE 17 N 3.04 3.21 -0.05 5.38 0.40 0.05 -4.95 117.98 125.06 3khp s PHE 17 Ca 0.30 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.71 3khp s PHE 17 Cb -0.13 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 3khp s PHE 17 CO 0.17 -0.21 -0.24 -1.21 0.70 0.00 0.00 175.22 174.43 3khp s GLU 18 N 1.74 2.52 0.05 0.44 2.02 -1.26 -1.07 118.70 123.14 3khp s GLU 18 Ca 0.07 -0.89 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 3khp s GLU 18 Cb -0.16 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3khp s GLU 18 CO 0.10 0.41 0.15 1.67 0.02 0.00 0.00 175.26 177.61 3khp s TRP 19 N -0.23 0.16 0.51 1.61 -2.14 -0.35 -5.00 118.94 113.50 3khp s TRP 19 Ca -0.01 -0.48 0.02 0.00 2.66 0.00 0.00 56.10 58.28 3khp s TRP 19 Cb -0.13 -0.10 -0.01 0.00 -3.10 0.00 0.00 33.47 30.13 3khp s TRP 19 CO 0.03 -0.43 0.04 0.95 -2.66 0.00 0.00 176.95 174.88 3khp s THR 20 N -3.00 1.23 0.40 0.66 -4.23 -1.26 -1.25 115.64 108.18 3khp s THR 20 Ca -0.02 -1.95 0.17 0.00 -1.18 0.00 0.00 61.69 58.71 3khp s THR 20 Cb 0.01 -2.18 0.17 0.00 1.34 0.00 0.00 72.50 71.85 3khp s THR 20 CO -0.06 0.00 1.94 -2.24 -0.54 0.00 0.00 174.62 173.72 3khp h ASP 21 N 1.30 0.00 -0.82 3.99 3.04 -1.95 -1.21 116.42 120.78 3khp h ASP 21 Ca -0.43 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.54 3khp h ASP 21 Cb 1.31 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.49 3khp h ASP 21 CO 0.73 0.24 0.29 -0.09 -2.04 0.00 0.00 179.24 178.38 3khp h ARG 22 N 0.00 0.35 -0.32 4.15 2.43 -1.96 -0.24 114.38 118.79 3khp h ARG 22 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3khp h ARG 22 Cb 0.47 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3khp h ARG 22 CO 0.03 0.23 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.09 3khp h ASP 23 N 0.36 0.73 0.02 -3.80 3.32 -1.55 -0.15 116.42 115.36 3khp h ASP 23 Ca 0.48 -0.43 -0.22 0.00 0.02 0.00 0.00 57.03 56.89 3khp h ASP 23 Cb 0.85 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.21 3khp h ASP 23 CO -0.50 1.00 -0.80 0.71 -1.72 0.00 0.00 179.24 177.92 3khp h THR 24 N 0.46 1.32 0.06 0.35 1.35 -1.35 -1.23 112.91 113.87 3khp h THR 24 Ca 0.07 -2.08 -0.00 0.00 -0.55 0.00 0.00 66.41 63.84 3khp h THR 24 Cb 0.74 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3khp h THR 24 CO 0.06 0.64 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.87 3khp h LEU 25 N 0.43 -0.07 -1.02 3.87 3.38 -1.08 -2.30 115.31 118.51 3khp h LEU 25 Ca -0.05 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3khp h LEU 25 Cb 1.41 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 3khp h LEU 25 CO 0.15 -0.02 0.64 0.25 0.09 0.00 0.00 178.44 179.55 3khp h LEU 26 N -0.11 0.96 -0.16 1.67 5.85 -0.97 -1.23 115.31 121.31 3khp h LEU 26 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3khp h LEU 26 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3khp h LEU 26 CO 0.01 0.54 0.06 0.22 -0.34 0.00 0.00 178.44 178.94 3khp h TYR 27 N 1.05 0.25 -0.46 1.25 3.20 -1.12 0.11 116.97 121.24 3khp h TYR 27 Ca 0.47 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.42 3khp h TYR 27 Cb 0.39 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 3khp h TYR 27 CO -0.00 0.33 -0.06 0.00 -1.64 0.00 0.00 178.16 176.78 3khp h ALA 28 N 0.90 0.37 -0.64 1.82 0.00 -1.06 0.63 119.26 121.28 3khp h ALA 28 Ca 0.05 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3khp h ALA 28 Cb 0.18 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3khp h ALA 28 CO -0.00 -0.42 0.05 0.82 0.00 0.00 0.00 179.25 179.70 3khp h ILE 29 N 0.05 1.26 -0.91 0.00 2.04 -0.97 -1.10 117.51 117.88 3khp h ILE 29 Ca 0.23 -1.10 0.18 0.00 1.00 0.00 0.00 64.86 65.16 3khp h ILE 29 Cb 0.34 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 3khp h ILE 29 CO -0.43 0.41 0.59 1.23 0.00 0.00 0.00 178.15 179.94 3khp h GLY 30 N 1.02 1.16 -3.41 5.37 0.00 0.66 0.57 103.07 108.44 3khp h GLY 30 Ca 0.19 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 3khp h GLY 30 CO 0.02 0.03 0.17 3.33 0.00 0.00 0.00 176.54 180.09 3khp n VAL 31 N -4.57 2.59 -0.33 4.60 0.24 0.07 -4.36 118.33 116.57 3khp n VAL 31 Ca 0.19 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 3khp n VAL 31 Cb 0.58 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3khp n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khp n GLY 32 N 0.11 0.80 3.77 7.63 0.00 0.19 -4.33 105.19 113.36 3khp n GLY 32 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 3khp n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khp s ALA 33 N -2.74 3.29 0.00 4.61 0.00 -0.45 -4.97 121.76 121.50 3khp s ALA 33 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3khp s ALA 33 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3khp s ALA 33 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 3khp n GLY 34 N 0.58 5.18 0.09 0.00 0.00 -1.26 -4.25 105.19 105.52 3khp n GLY 34 Ca 0.04 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.26 3khp n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3khp n THR 35 N 0.00 0.91 0.76 2.61 -2.24 -1.26 -2.66 114.28 112.40 3khp n THR 35 Ca 0.00 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 3khp n THR 35 Cb 0.00 -1.13 0.29 0.00 -2.10 0.00 0.00 70.33 67.38 3khp n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khp n GLY 36 N -0.07 -1.41 2.42 3.38 0.00 -1.26 -4.35 105.19 103.90 3khp n GLY 36 Ca 0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3khp n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khp s ASP 37 N -3.73 1.72 0.42 1.61 -4.77 -1.09 -4.97 116.67 105.87 3khp s ASP 37 Ca 0.09 -3.01 0.29 0.00 -3.30 0.00 0.00 52.55 46.63 3khp s ASP 37 Cb 0.15 -0.48 1.18 0.00 -1.09 0.00 0.00 42.92 42.69 3khp s ASP 37 CO 0.67 -0.18 1.86 -0.07 0.70 0.00 0.00 175.17 178.15 3khp h LEU 38 N 5.78 0.00 -1.82 2.11 3.38 -1.76 -1.32 115.31 121.67 3khp h LEU 38 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3khp h LEU 38 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3khp h LEU 38 CO 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.76 3khp h ALA 39 N 2.12 1.39 0.00 1.53 0.00 -1.84 -1.66 119.26 120.81 3khp h ALA 39 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3khp h ALA 39 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3khp h ALA 39 CO 0.00 0.18 -1.81 1.19 0.00 0.00 0.00 179.25 178.82 3khp n PHE 40 N -3.83 0.26 0.34 0.00 3.72 -0.51 -0.90 117.46 116.54 3khp n PHE 40 Ca -0.02 0.08 0.04 0.00 -0.05 0.00 0.00 57.45 57.50 3khp n PHE 40 Cb 0.25 -0.69 0.02 0.00 -0.94 0.00 0.00 39.48 38.11 3khp n PHE 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3khp n THR 41 N -2.44 0.00 -4.00 4.37 -2.24 -1.18 -4.53 114.28 104.25 3khp n THR 41 Ca -0.07 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 3khp n THR 41 Cb 0.65 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.91 3khp n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3khp s THR 42 N -0.90 0.14 -0.20 4.28 -4.23 -0.63 -4.99 115.64 109.10 3khp s THR 42 Ca 0.08 -1.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.60 3khp s THR 42 Cb 0.07 -0.57 -0.18 0.00 1.34 0.00 0.00 72.50 73.15 3khp s THR 42 CO 0.14 -0.62 0.36 -1.84 -0.54 0.00 0.00 174.62 172.13 3khp n GLU 43 N 1.23 1.20 -0.67 3.99 0.00 -1.26 -4.31 120.64 120.81 3khp n GLU 43 Ca -0.22 -0.08 0.04 0.00 0.00 0.00 0.00 57.16 56.91 3khp n GLU 43 Cb 0.56 -1.24 0.07 0.00 0.00 0.00 0.00 31.44 30.84 3khp n GLU 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3khp n ASN 44 N -1.74 1.05 -4.78 -1.84 6.94 -1.26 -4.47 115.26 109.16 3khp n ASN 44 Ca -0.01 -2.55 -0.33 0.00 -0.02 0.00 0.00 54.58 51.67 3khp n ASN 44 Cb 0.29 -0.33 0.02 0.00 -2.36 0.00 0.00 39.78 37.40 3khp n ASN 44 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3khp s SER 45 N -2.03 5.53 0.09 0.53 0.01 -1.26 -4.98 113.70 111.60 3khp s SER 45 Ca 0.22 1.96 -0.31 0.00 1.31 0.00 0.00 55.95 59.13 3khp s SER 45 Cb 0.22 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 3khp s SER 45 CO -0.05 -1.34 1.46 -2.28 0.41 0.00 0.00 173.24 171.45 3khp s HIS 46 N -2.25 2.98 -0.33 2.43 2.46 -1.26 -2.90 115.29 116.42 3khp s HIS 46 Ca 0.67 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.96 3khp s HIS 46 Cb -0.19 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 3khp s HIS 46 CO 0.36 -2.81 0.00 0.41 -2.47 0.00 0.00 174.74 170.23 3khp n GLY 47 N 3.66 0.60 2.62 1.59 0.00 -1.26 -5.00 105.19 107.40 3khp n GLY 47 Ca 0.13 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3khp n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khp s ILE 48 N -1.95 -0.09 0.36 -0.61 1.01 -1.14 -5.13 121.20 113.65 3khp s ILE 48 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 3khp s ILE 48 Cb 0.00 -0.51 -0.10 0.00 0.01 0.00 0.00 42.46 41.86 3khp s ILE 48 CO 0.00 -0.21 0.96 -1.81 0.00 0.00 0.00 174.94 173.88 3khp s ASP 49 N 2.14 7.16 0.23 3.58 1.01 -1.26 -4.45 116.67 125.07 3khp s ASP 49 Ca 0.02 1.82 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 3khp s ASP 49 Cb -0.15 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 3khp s ASP 49 CO -0.08 -0.20 1.40 -1.58 0.21 0.00 0.00 175.17 174.92 3khp s GLN 50 N -2.44 4.31 0.10 8.23 0.74 -1.26 -4.69 119.66 124.64 3khp s GLN 50 Ca 0.55 2.22 0.06 0.00 0.05 0.00 0.00 55.36 58.24 3khp s GLN 50 Cb -0.16 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3khp s GLN 50 CO 0.21 -0.37 -0.05 -0.65 -0.55 0.00 0.00 175.29 173.88 3khp s GLN 51 N -0.21 2.32 -0.20 1.67 -0.21 -0.08 -4.82 119.66 118.12 3khp s GLN 51 Ca 0.59 -0.94 -0.07 0.00 0.02 0.00 0.00 55.36 54.96 3khp s GLN 51 Cb -0.40 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 3khp s GLN 51 CO 0.41 0.52 0.06 0.08 -2.12 0.00 0.00 175.29 174.24 3khp s VAL 52 N -1.27 4.57 0.33 1.09 1.01 -1.26 -4.48 120.40 120.40 3khp s VAL 52 Ca 0.24 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3khp s VAL 52 Cb -0.11 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 3khp s VAL 52 CO 0.16 0.42 1.54 -0.76 0.00 0.00 0.00 175.10 176.46 3khp s LEU 53 N 0.78 4.33 0.43 3.92 1.43 -1.26 -4.78 118.68 123.53 3khp s LEU 53 Ca 0.03 3.00 0.22 0.00 -1.03 0.00 0.00 54.13 56.35 3khp s LEU 53 Cb -0.14 -3.65 0.93 0.00 0.03 0.00 0.00 46.19 43.36 3khp s LEU 53 CO 0.02 -0.89 1.84 1.55 0.23 0.00 0.00 176.35 179.10 3khp h PRO 54 N 3.98 0.00 0.00 1.29 0.13 -1.94 -0.94 132.00 134.53 3khp h PRO 54 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3khp h PRO 54 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3khp h PRO 54 CO 0.72 0.26 0.00 0.25 -0.23 0.00 0.00 178.00 179.00 3khp n THR 55 N -3.50 0.97 0.17 1.56 -2.24 -1.26 -1.96 114.28 108.01 3khp n THR 55 Ca -0.00 0.24 0.05 0.00 -2.27 0.00 0.00 64.05 62.07 3khp n THR 55 Cb 0.42 -1.11 0.25 0.00 -2.10 0.00 0.00 70.33 67.79 3khp n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khp n TYR 56 N -1.33 0.25 0.15 4.78 9.36 -0.36 -2.07 117.16 127.94 3khp n TYR 56 Ca 0.03 0.12 0.15 0.00 3.32 0.00 0.00 57.90 61.53 3khp n TYR 56 Cb 0.07 -0.69 0.72 0.00 -0.63 0.00 0.00 39.34 38.81 3khp n TYR 56 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3khp h ALA 57 N 2.12 2.11 0.00 2.98 0.00 -1.63 -0.97 119.26 123.87 3khp h ALA 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3khp h ALA 57 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3khp h ALA 57 CO 0.00 -0.32 0.00 -0.39 0.00 0.00 0.00 179.25 178.54 3khp h VAL 58 N 0.00 0.00 0.00 0.00 -1.51 -1.68 0.67 116.25 113.73 3khp h VAL 58 Ca 0.11 -0.40 -0.33 0.00 -1.23 0.00 0.00 66.70 64.85 3khp h VAL 58 Cb 0.50 1.28 -0.05 0.00 -2.13 0.00 0.00 31.29 30.89 3khp h VAL 58 CO -0.00 0.00 -1.80 -0.38 -1.23 0.00 0.00 177.57 174.16 3khp n ILE 59 N -2.69 1.54 1.11 7.19 2.08 -0.41 -4.09 119.36 124.09 3khp n ILE 59 Ca 0.02 -0.19 0.13 0.00 0.56 0.00 0.00 62.75 63.26 3khp n ILE 59 Cb 0.28 -1.96 0.35 0.00 -0.75 0.00 0.00 39.64 37.56 3khp n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3khp s PRO 62 N -2.60 4.30 0.24 0.00 0.04 -1.25 -4.54 135.00 131.19 3khp s PRO 62 Ca 0.40 1.90 0.26 0.00 0.04 0.00 0.00 61.00 63.59 3khp s PRO 62 Cb 0.35 -3.55 0.84 0.00 0.04 0.00 0.00 34.50 32.18 3khp s PRO 62 CO -0.08 -0.53 1.76 0.00 0.04 0.00 0.00 177.00 178.19 3khp h ALA 63 N 7.69 1.00 0.00 8.56 0.00 -1.87 -3.37 119.26 131.28 3khp h ALA 63 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3khp h ALA 63 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3khp h ALA 63 CO 0.89 0.00 0.06 0.74 0.00 0.00 0.00 179.25 180.95 3khp h PHE 64 N 0.00 0.00 -0.69 0.00 0.04 -1.92 -2.12 116.94 112.24 3khp h PHE 64 Ca 0.00 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.94 3khp h PHE 64 Cb 0.66 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3khp h PHE 64 CO 0.00 0.00 0.48 0.78 -0.60 0.00 0.00 178.31 178.97 3khp h GLY 65 N 0.00 0.36 1.87 -1.45 0.00 -1.97 -1.92 103.07 99.96 3khp h GLY 65 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3khp h GLY 65 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3khp n ALA 66 N -2.59 2.13 0.10 3.60 0.00 -0.80 -3.27 120.51 119.68 3khp n ALA 66 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3khp n ALA 66 Cb 0.62 -1.39 0.31 0.00 0.00 0.00 0.00 19.45 19.00 3khp n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp h ALA 67 N 2.91 1.31 0.00 0.00 0.00 -1.55 -2.23 119.26 119.71 3khp h ALA 67 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3khp h ALA 67 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3khp h ALA 67 CO 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 3khp h ALA 68 N 1.52 1.29 -0.01 0.00 0.00 -1.75 -3.02 119.26 117.27 3khp h ALA 68 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3khp h ALA 68 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3khp h ALA 68 CO 0.04 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.16 3khp n LYS 69 N -3.74 1.40 0.09 0.00 4.76 -0.84 -3.92 118.16 115.90 3khp n LYS 69 Ca -0.02 -0.58 0.13 0.00 -2.87 0.00 0.00 58.31 54.98 3khp n LYS 69 Cb 0.30 -1.48 0.39 0.00 -1.84 0.00 0.00 35.03 32.40 3khp n LYS 69 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3khp n VAL 70 N -0.30 0.50 -0.03 -0.18 0.31 -1.14 -4.81 118.33 112.68 3khp n VAL 70 Ca 0.21 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3khp n VAL 70 Cb 0.25 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 3khp n VAL 70 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3khp n GLY 71 N 1.33 0.79 0.13 2.92 0.00 -1.25 -1.19 105.19 107.92 3khp n GLY 71 Ca 0.05 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3khp n GLY 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3khp h THR 72 N 0.00 0.00 -0.46 2.61 1.35 -1.07 -3.41 112.91 111.94 3khp h THR 72 Ca 0.00 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 3khp h THR 72 Cb 0.00 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 3khp h THR 72 CO 0.00 0.00 0.19 0.15 -0.25 0.00 0.00 175.52 175.61 3khp h PHE 73 N 0.00 0.69 -4.91 4.73 3.57 -1.59 -3.47 116.94 115.95 3khp h PHE 73 Ca 0.00 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.25 3khp h PHE 73 Cb 0.90 -0.21 0.15 0.00 2.79 0.00 0.00 35.95 39.58 3khp h PHE 73 CO 0.00 0.58 -0.66 0.09 -2.23 0.00 0.00 178.31 176.09 3khp n ASN 74 N -4.60 -5.05 -4.76 0.41 3.02 -1.26 -4.97 115.26 98.04 3khp n ASN 74 Ca 0.01 -0.54 -0.38 0.00 -0.03 0.00 0.00 54.58 53.64 3khp n ASN 74 Cb 0.14 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 3khp n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3khp s PRO 75 N -4.25 3.61 0.00 3.52 0.04 -1.26 -4.95 135.00 131.71 3khp s PRO 75 Ca 0.30 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3khp s PRO 75 Cb -0.04 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3khp s PRO 75 CO 0.58 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 176.90 3khp n ALA 76 N -0.58 1.41 -1.85 8.56 0.00 -1.26 -4.90 120.51 121.88 3khp n ALA 76 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3khp n ALA 76 Cb 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3khp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khp s ALA 77 N -1.17 3.84 -0.67 0.00 0.00 -1.26 -4.90 121.76 117.60 3khp s ALA 77 Ca 0.00 1.45 0.24 0.00 0.00 0.00 0.00 51.96 53.65 3khp s ALA 77 Cb 0.00 -3.65 0.30 0.00 0.00 0.00 0.00 23.12 19.77 3khp s ALA 77 CO 0.00 -0.84 1.27 1.28 0.00 0.00 0.00 175.76 177.47 3khp n LEU 78 N 4.02 0.66 -4.66 0.00 4.77 -1.26 -4.48 117.00 116.04 3khp n LEU 78 Ca 0.15 0.16 -0.46 0.00 -0.03 0.00 0.00 56.01 55.83 3khp n LEU 78 Cb 0.37 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3khp n LEU 78 CO 0.62 -0.02 1.13 -0.11 -1.33 0.00 0.00 177.39 177.68 3khp n LEU 79 N -2.02 2.98 0.00 2.23 7.94 -1.26 -0.31 117.00 126.55 3khp n LEU 79 Ca 0.03 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3khp n LEU 79 Cb 0.43 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.97 3khp n LEU 79 CO 0.37 -0.39 0.00 1.41 -1.11 0.00 0.00 177.39 177.67 3khp n HIS 80 N 3.01 0.00 -0.74 1.96 8.25 0.61 -4.54 115.22 123.76 3khp n HIS 80 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3khp n HIS 80 Cb 0.29 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3khp n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3khp n GLY 81 N -2.00 -0.80 3.22 -1.41 0.00 0.57 -4.72 105.19 100.05 3khp n GLY 81 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3khp n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khp s SER 82 N -1.00 -0.07 -0.01 1.61 0.01 -0.68 -0.88 113.70 112.68 3khp s SER 82 Ca 0.00 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.06 3khp s SER 82 Cb 0.00 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 3khp s SER 82 CO 0.00 -0.56 -0.08 -1.58 0.41 0.00 0.00 173.24 171.43 3khp s GLN 83 N -2.36 0.64 0.01 12.44 2.00 0.18 -1.59 119.66 130.98 3khp s GLN 83 Ca -0.06 -0.27 0.03 0.00 -2.00 0.00 0.00 55.36 53.05 3khp s GLN 83 Cb -0.02 -0.62 -0.01 0.00 0.80 0.00 0.00 33.01 33.17 3khp s GLN 83 CO -0.02 0.16 -0.08 0.20 -0.50 0.00 0.00 175.29 175.05 3khp s GLY 84 N -0.16 0.43 0.06 2.59 0.00 -0.37 -0.62 107.32 109.26 3khp s GLY 84 Ca 0.03 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.35 3khp s GLY 84 CO -0.00 -0.42 -0.15 -0.26 0.00 0.00 0.00 173.10 172.26 3khp s ILE 85 N -0.47 1.23 -0.04 0.90 -4.36 0.28 -1.51 121.20 117.23 3khp s ILE 85 Ca 0.00 -1.22 -0.02 0.00 -0.26 0.00 0.00 60.65 59.16 3khp s ILE 85 Cb -0.05 -1.14 0.03 0.00 1.25 0.00 0.00 42.46 42.56 3khp s ILE 85 CO 0.00 -0.09 0.06 -0.60 0.24 0.00 0.00 174.94 174.54 3khp s ARG 86 N -1.51 -0.07 -0.09 0.37 3.52 -0.31 -1.82 118.95 119.04 3khp s ARG 86 Ca 0.01 0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.94 3khp s ARG 86 Cb -0.09 -0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 3khp s ARG 86 CO 0.02 -0.30 0.01 -0.51 -0.81 0.00 0.00 175.30 173.71 3khp s LEU 87 N 1.96 3.60 0.00 -0.88 2.01 -0.06 -1.16 118.68 124.15 3khp s LEU 87 Ca 0.02 0.14 0.17 0.00 0.01 0.00 0.00 54.13 54.48 3khp s LEU 87 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 3khp s LEU 87 CO -0.03 0.37 0.88 1.41 1.01 0.00 0.00 176.35 179.98 3khp n HIS 88 N 2.23 0.00 -3.59 0.29 8.25 0.61 -4.85 115.22 118.16 3khp n HIS 88 Ca -0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.13 3khp n HIS 88 Cb 0.54 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 3khp n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khp s ALA 89 N -2.09 -1.34 0.39 -1.41 0.00 -1.23 -4.97 121.76 111.11 3khp s ALA 89 Ca 0.13 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.55 3khp s ALA 89 Cb 0.14 0.24 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 3khp s ALA 89 CO 0.47 -0.43 1.19 -2.30 0.00 0.00 0.00 175.76 174.68 3khp n PRO 90 N 0.67 1.78 -2.84 0.00 -0.01 -1.26 -4.92 135.00 128.41 3khp n PRO 90 Ca -0.19 0.63 -0.41 0.00 -0.01 0.00 0.00 63.50 63.52 3khp n PRO 90 Cb 0.59 -2.24 -0.04 0.00 -0.01 0.00 0.00 33.50 31.80 3khp n PRO 90 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3khp s LEU 91 N -1.05 4.42 0.40 2.45 1.43 -1.26 -5.04 118.68 120.02 3khp s LEU 91 Ca 0.60 1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 3khp s LEU 91 Cb -0.55 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 3khp s LEU 91 CO 0.59 -0.10 0.75 -2.16 0.23 0.00 0.00 176.35 175.65 3khp s PRO 92 N 0.38 3.75 0.31 1.29 0.04 -1.26 -4.33 135.00 135.17 3khp s PRO 92 Ca 0.44 0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.96 3khp s PRO 92 Cb -0.21 -2.42 0.83 0.00 0.04 0.00 0.00 34.50 32.75 3khp s PRO 92 CO 0.26 -0.02 1.70 0.00 0.04 0.00 0.00 177.00 178.98 3khp h ALA 93 N 1.24 1.63 -4.04 8.56 0.00 -1.94 -3.39 119.26 121.32 3khp h ALA 93 Ca -0.47 0.15 -0.46 0.00 0.00 0.00 0.00 54.91 54.13 3khp h ALA 93 Cb 1.19 0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.78 3khp h ALA 93 CO 0.64 -0.35 -0.80 0.00 0.00 0.00 0.00 179.25 178.74 3khp s ALA 94 N -5.82 1.07 0.00 0.00 0.00 -1.26 -3.47 121.76 112.27 3khp s ALA 94 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3khp s ALA 94 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3khp s ALA 94 CO 0.79 0.23 0.00 0.41 0.00 0.00 0.00 175.76 177.19 3khp n GLY 95 N 2.95 0.64 3.48 0.00 0.00 -0.38 -4.98 105.19 106.90 3khp n GLY 95 Ca -0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3khp n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khp s LYS 96 N -0.45 0.70 0.01 1.61 1.02 -1.26 -1.21 119.74 120.16 3khp s LYS 96 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3khp s LYS 96 Cb 0.00 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 3khp s LYS 96 CO 0.00 -0.10 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.81 3khp s LEU 97 N 0.17 2.06 -0.32 3.17 1.43 -0.23 -4.47 118.68 120.49 3khp s LEU 97 Ca -0.01 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 3khp s LEU 97 Cb -0.04 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 3khp s LEU 97 CO 0.01 -0.08 0.45 -0.55 0.23 0.00 0.00 176.35 176.42 3khp s SER 98 N -0.38 6.29 -0.16 2.29 0.15 0.32 -0.77 113.70 121.44 3khp s SER 98 Ca -0.04 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.64 3khp s SER 98 Cb -0.03 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3khp s SER 98 CO -0.00 -0.38 -0.12 -0.69 1.20 0.00 0.00 173.24 173.25 3khp s VAL 99 N 2.24 2.95 -0.05 4.45 1.01 0.39 -1.34 120.40 130.04 3khp s VAL 99 Ca 0.17 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3khp s VAL 99 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3khp s VAL 99 CO 0.12 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.78 3khp s VAL 100 N 0.79 2.05 0.19 2.92 1.01 -0.54 -0.81 120.40 126.02 3khp s VAL 100 Ca -0.05 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 60.96 3khp s VAL 100 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3khp s VAL 100 CO 0.01 0.57 -0.16 0.42 0.00 0.00 0.00 175.10 175.94 3khp s THR 101 N -0.24 2.82 0.00 3.92 -4.23 -1.26 -0.94 115.64 115.71 3khp s THR 101 Ca -0.01 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3khp s THR 101 Cb -0.13 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 3khp s THR 101 CO 0.03 -0.13 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.28 3khp s GLU 102 N -2.80 0.06 -0.67 3.99 2.12 -0.13 -1.55 118.70 119.73 3khp s GLU 102 Ca 0.23 -0.10 -0.27 0.00 0.36 0.00 0.00 54.97 55.20 3khp s GLU 102 Cb -0.08 -0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.31 3khp s GLU 102 CO 0.13 -0.00 1.51 0.08 -0.54 0.00 0.00 175.26 176.44 3khp s VAL 103 N -0.21 3.60 0.02 3.70 1.01 -0.48 -0.69 120.40 127.34 3khp s VAL 103 Ca -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3khp s VAL 103 Cb -0.02 -4.49 -0.28 0.00 0.00 0.00 0.00 36.38 31.60 3khp s VAL 103 CO -0.00 -1.42 0.93 0.00 0.00 0.00 0.00 175.10 174.61 3khp h ALA 104 N 11.97 0.25 -2.36 5.51 0.00 -0.81 -0.98 119.26 132.84 3khp h ALA 104 Ca -0.27 -1.06 -0.09 0.00 0.00 0.00 0.00 54.91 53.48 3khp h ALA 104 Cb 1.10 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 3khp h ALA 104 CO 1.24 1.12 -0.10 0.34 0.00 0.00 0.00 179.25 181.85 3khp s ASP 105 N -6.98 -0.35 -0.12 0.00 2.15 -1.06 -4.79 116.67 105.52 3khp s ASP 105 Ca -0.07 0.26 -0.01 0.00 0.43 0.00 0.00 52.55 53.15 3khp s ASP 105 Cb 0.07 0.40 0.04 0.00 -0.30 0.00 0.00 42.92 43.13 3khp s ASP 105 CO 0.86 -0.54 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.67 3khp s ILE 106 N -1.51 0.74 -0.09 4.11 -1.09 -1.26 -0.98 121.20 121.13 3khp s ILE 106 Ca -0.11 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3khp s ILE 106 Cb -0.03 -0.92 -0.02 0.00 -1.58 0.00 0.00 42.46 39.91 3khp s ILE 106 CO 0.05 0.18 -0.14 -1.10 -1.23 0.00 0.00 174.94 172.70 3khp s GLN 107 N 1.81 2.90 -0.26 2.79 -0.21 0.13 -4.58 119.66 122.23 3khp s GLN 107 Ca 0.03 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 54.70 3khp s GLN 107 Cb -0.14 -2.48 0.03 0.00 1.00 0.00 0.00 33.01 31.42 3khp s GLN 107 CO -0.07 0.44 -0.06 0.34 -2.12 0.00 0.00 175.29 173.82 3khp s ASP 108 N -0.24 4.40 0.00 5.90 -1.08 0.15 -1.12 116.67 124.68 3khp s ASP 108 Ca 0.01 -0.98 0.24 0.00 -0.52 0.00 0.00 52.55 51.30 3khp s ASP 108 Cb -0.13 -1.66 0.28 0.00 -1.46 0.00 0.00 42.92 39.95 3khp s ASP 108 CO 0.03 -0.15 1.26 0.29 0.52 0.00 0.00 175.17 177.11 3khp n LYS 109 N 4.64 0.26 0.00 4.34 4.76 -0.81 -3.73 118.16 127.61 3khp n LYS 109 Ca -0.16 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.10 3khp n LYS 109 Cb 0.46 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3khp n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3khp n GLY 110 N 1.47 1.80 3.74 0.72 0.00 -1.26 -4.82 105.19 106.83 3khp n GLY 110 Ca 0.07 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 3khp n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khp s GLU 111 N -1.52 4.28 0.00 1.61 2.56 -1.26 -1.21 118.70 123.15 3khp s GLU 111 Ca 0.00 2.27 0.00 0.00 0.00 0.00 0.00 54.97 57.24 3khp s GLU 111 Cb 0.00 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.01 3khp s GLU 111 CO 0.00 -0.41 0.00 0.41 -0.56 0.00 0.00 175.26 174.70 3khp n GLY 112 N 2.27 0.38 0.00 -1.50 0.00 -1.26 -4.89 105.19 100.19 3khp n GLY 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3khp n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3khp n LYS 113 N -1.56 1.69 -3.34 1.61 -0.00 -0.35 -4.73 118.16 111.48 3khp n LYS 113 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 3khp n LYS 113 Cb 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.08 3khp n LYS 113 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3khp s ASN 114 N -0.91 6.67 0.10 -5.58 0.01 -1.26 -0.40 114.94 113.59 3khp s ASN 114 Ca 0.00 1.02 -0.07 0.00 -0.71 0.00 0.00 52.86 53.10 3khp s ASN 114 Cb 0.00 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.34 3khp s ASN 114 CO 0.00 -0.10 0.38 0.00 -1.51 0.00 0.00 177.10 175.87 3khp s ALA 115 N -1.85 3.76 -0.10 0.60 0.00 -0.93 -1.93 121.76 121.32 3khp s ALA 115 Ca 0.49 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3khp s ALA 115 Cb -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.82 3khp s ALA 115 CO 0.20 0.62 -0.21 0.42 0.00 0.00 0.00 175.76 176.79 3khp s ILE 116 N -1.52 1.83 -0.16 0.00 1.01 -0.28 -0.49 121.20 121.60 3khp s ILE 116 Ca 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3khp s ILE 116 Cb -0.13 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3khp s ILE 116 CO 0.21 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.81 3khp s VAL 117 N 0.49 2.63 -0.22 2.92 1.01 -0.64 0.17 120.40 126.76 3khp s VAL 117 Ca -0.16 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3khp s VAL 117 Cb -0.17 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3khp s VAL 117 CO 0.06 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.99 3khp s VAL 118 N 0.89 3.82 0.03 2.92 1.01 -0.15 -0.44 120.40 128.48 3khp s VAL 118 Ca -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3khp s VAL 118 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3khp s VAL 118 CO -0.01 0.40 -0.12 -0.76 0.00 0.00 0.00 175.10 174.61 3khp s LEU 119 N 1.37 2.93 -0.03 3.92 1.43 0.65 -0.06 118.68 128.88 3khp s LEU 119 Ca 0.05 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3khp s LEU 119 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3khp s LEU 119 CO 0.00 0.26 -0.08 -0.60 0.23 0.00 0.00 176.35 176.17 3khp s ARG 120 N -1.49 0.90 -0.00 1.70 3.52 0.13 -0.70 118.95 123.00 3khp s ARG 120 Ca 0.16 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 3khp s ARG 120 Cb -0.11 -0.85 -0.03 0.00 -1.56 0.00 0.00 34.95 32.40 3khp s ARG 120 CO 0.07 0.08 -0.11 0.20 -0.81 0.00 0.00 175.30 174.73 3khp s GLY 121 N 0.29 1.66 -0.08 8.12 0.00 0.76 -0.96 107.32 117.11 3khp s GLY 121 Ca -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 3khp s GLY 121 CO 0.00 -0.89 -0.01 -1.60 0.00 0.00 0.00 173.10 170.60 3khp s ARG 122 N -1.24 0.78 -0.20 2.90 3.52 -0.12 -0.56 118.95 124.03 3khp s ARG 122 Ca 0.15 0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.74 3khp s ARG 122 Cb -0.11 -1.14 -0.01 0.00 -1.56 0.00 0.00 34.95 32.14 3khp s ARG 122 CO 0.05 -0.31 -0.07 0.20 -0.81 0.00 0.00 175.30 174.36 3khp s GLY 123 N 1.92 1.59 0.10 8.12 0.00 0.22 -1.47 107.32 117.80 3khp s GLY 123 Ca 0.05 -1.11 0.09 0.00 0.00 0.00 0.00 44.72 43.75 3khp s GLY 123 CO -0.06 0.29 -0.21 0.00 0.00 0.00 0.00 173.10 173.12 3khp n ASP 125 N 1.09 4.03 -0.07 0.00 2.03 0.17 -0.52 116.55 123.27 3khp n ASP 125 Ca -0.16 1.02 0.17 0.00 0.52 0.00 0.00 54.79 56.33 3khp n ASP 125 Cb 0.53 -1.56 0.58 0.00 -0.72 0.00 0.00 41.12 39.95 3khp n ASP 125 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3khp h PRO 126 N 7.80 0.22 0.00 -0.67 0.11 -1.89 0.07 132.00 137.64 3khp h PRO 126 Ca -0.45 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 3khp h PRO 126 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3khp h PRO 126 CO 0.95 0.15 -1.08 0.39 -0.21 0.00 0.00 178.00 178.20 3khp n GLU 127 N -4.44 0.53 0.18 1.05 4.71 -1.26 -4.34 120.64 117.08 3khp n GLU 127 Ca 0.11 0.54 0.12 0.00 -0.01 0.00 0.00 57.16 57.93 3khp n GLU 127 Cb 0.52 -1.72 0.25 0.00 -1.01 0.00 0.00 31.44 29.49 3khp n GLU 127 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3khp h SER 128 N -1.00 0.00 0.00 1.62 4.64 -1.98 -3.47 113.55 113.36 3khp h SER 128 Ca -0.25 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3khp h SER 128 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3khp h SER 128 CO -0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 3khp n GLY 129 N 1.17 0.50 3.77 -0.77 0.00 0.01 -5.00 105.19 104.88 3khp n GLY 129 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3khp n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khp s SER 130 N -2.26 6.45 -0.12 1.61 0.01 -1.24 -4.62 113.70 113.53 3khp s SER 130 Ca 0.00 2.55 -0.30 0.00 1.31 0.00 0.00 55.95 59.51 3khp s SER 130 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3khp s SER 130 CO 0.00 -0.74 1.16 -0.22 0.41 0.00 0.00 173.24 173.85 3khp s LEU 131 N -2.35 4.22 -0.18 2.44 2.96 -1.26 0.42 118.68 124.92 3khp s LEU 131 Ca 0.56 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 56.02 3khp s LEU 131 Cb -0.36 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.71 3khp s LEU 131 CO 0.46 -0.62 -0.26 0.52 -1.32 0.00 0.00 176.35 175.12 3khp n VAL 132 N 4.93 1.18 -4.34 1.68 0.31 0.60 -4.64 118.33 118.04 3khp n VAL 132 Ca 0.12 -0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 3khp n VAL 132 Cb 0.46 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 3khp n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khp s ALA 133 N -2.43 0.71 -0.01 3.52 0.00 -0.77 -0.28 121.76 122.49 3khp s ALA 133 Ca -0.27 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.39 3khp s ALA 133 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3khp s ALA 133 CO 0.35 0.17 -0.22 -1.21 0.00 0.00 0.00 175.76 174.85 3khp s GLU 134 N -0.22 1.73 0.10 0.00 2.02 -0.31 0.73 118.70 122.76 3khp s GLU 134 Ca 0.03 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.30 3khp s GLU 134 Cb -0.03 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 3khp s GLU 134 CO -0.00 0.46 -0.16 0.95 0.02 0.00 0.00 175.26 176.53 3khp s THR 135 N -0.52 1.35 -0.11 3.63 -4.23 0.28 -1.17 115.64 114.87 3khp s THR 135 Ca 0.08 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3khp s THR 135 Cb -0.08 -1.34 0.05 0.00 1.34 0.00 0.00 72.50 72.46 3khp s THR 135 CO -0.01 -0.23 0.12 -0.22 -0.54 0.00 0.00 174.62 173.74 3khp s LEU 136 N -2.00 0.10 -0.22 4.79 2.96 -0.57 -0.17 118.68 123.57 3khp s LEU 136 Ca 0.04 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3khp s LEU 136 Cb -0.09 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.65 3khp s LEU 136 CO 0.03 -0.29 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.77 3khp s THR 137 N 2.22 2.56 -0.28 3.68 2.01 0.12 -1.23 115.64 124.72 3khp s THR 137 Ca 0.04 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.95 3khp s THR 137 Cb -0.14 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3khp s THR 137 CO -0.07 0.32 0.13 -0.89 -0.69 0.00 0.00 174.62 173.42 3khp s THR 138 N 1.31 4.63 -0.12 -0.82 2.01 -0.62 -0.26 115.64 121.77 3khp s THR 138 Ca 0.02 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 3khp s THR 138 Cb -0.15 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3khp s THR 138 CO -0.07 0.20 0.05 -0.76 -0.69 0.00 0.00 174.62 173.35 3khp s LEU 139 N 1.64 3.81 -0.27 4.42 1.43 0.42 -1.68 118.68 128.45 3khp s LEU 139 Ca 0.06 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3khp s LEU 139 Cb -0.16 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3khp s LEU 139 CO 0.06 0.32 0.18 -0.69 0.23 0.00 0.00 176.35 176.45 3khp s VAL 140 N -0.49 5.33 -0.57 -1.59 1.01 -1.26 -1.63 120.40 121.20 3khp s VAL 140 Ca 0.10 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 3khp s VAL 140 Cb -0.12 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 32.87 3khp s VAL 140 CO 0.02 0.28 0.56 -0.76 0.00 0.00 0.00 175.10 175.20 3khp s LEU 141 N 1.53 6.04 0.15 3.92 1.02 0.36 -4.90 118.68 126.79 3khp s LEU 141 Ca 0.07 -1.76 -0.31 0.00 0.02 0.00 0.00 54.13 52.15 3khp s LEU 141 Cb -0.15 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 43.72 3khp s LEU 141 CO 0.09 -0.90 1.70 -0.13 0.02 0.00 0.00 176.35 177.12 3khp s ARG 142 N 1.78 4.16 -0.32 1.70 1.81 -1.26 -2.18 118.95 124.64 3khp s ARG 142 Ca 0.06 2.50 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 3khp s ARG 142 Cb -0.28 -3.31 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 3khp s ARG 142 CO 0.03 -0.74 0.00 0.41 -0.68 0.00 0.00 175.30 174.33 3khp n GLY 143 N 3.99 0.46 0.69 -3.53 0.00 -1.20 -4.88 105.19 100.71 3khp n GLY 143 Ca 0.16 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.19 3khp n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3khp n GLN 144 N -0.98 1.90 -0.66 1.61 1.13 -0.91 -4.55 117.38 114.92 3khp n GLN 144 Ca -0.03 -1.35 -0.29 0.00 -1.94 0.00 0.00 57.00 53.39 3khp n GLN 144 Cb 0.34 -1.41 0.25 0.00 0.11 0.00 0.00 30.24 29.53 3khp n GLN 144 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3khp s GLY 145 N -1.52 1.51 0.00 1.08 0.00 0.47 -4.48 107.32 104.38 3khp s GLY 145 Ca 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3khp s GLY 145 CO 0.27 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.30 3khp n GLY 146 N 0.45 0.48 0.25 0.20 0.00 -1.07 -4.29 105.19 101.21 3khp n GLY 146 Ca 0.07 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3khp n GLY 146 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3khp n PHE 147 N -0.83 0.00 -0.85 1.61 1.16 -1.26 -4.85 117.46 112.44 3khp n PHE 147 Ca 0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 3khp n PHE 147 Cb 0.39 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 3khp n PHE 147 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3khp n GLY 148 N -0.80 0.53 3.93 4.97 0.00 -1.26 -4.87 105.19 107.69 3khp n GLY 148 Ca 0.09 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3khp n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3khp s GLY 149 N -2.40 1.69 0.35 -0.02 0.00 -1.26 -5.01 107.32 100.67 3khp s GLY 149 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 3khp s GLY 149 CO 0.00 -0.51 1.03 0.00 0.00 0.00 0.00 173.10 173.62 3khp s ALA 150 N -3.40 3.19 0.04 3.20 0.00 -1.26 -4.66 121.76 118.87 3khp s ALA 150 Ca 0.63 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 3khp s ALA 150 Cb -0.09 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 3khp s ALA 150 CO 0.47 -0.10 1.31 -0.09 0.00 0.00 0.00 175.76 177.35 3khp h ARG 151 N 2.97 0.40 -1.09 0.00 2.43 -1.90 0.44 114.38 117.63 3khp h ARG 151 Ca -0.47 -0.24 0.13 0.00 -0.81 0.00 0.00 59.98 58.58 3khp h ARG 151 Cb 1.21 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3khp h ARG 151 CO 0.64 0.83 -0.23 0.41 -1.51 0.00 0.00 179.97 180.10 3khp n GLY 152 N 0.34 -1.79 3.26 2.80 0.00 -1.26 -3.74 105.19 104.79 3khp n GLY 152 Ca -0.06 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3khp n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khp s GLU 153 N -1.86 2.94 0.29 1.61 2.56 -1.26 -5.03 118.70 117.96 3khp s GLU 153 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 54.97 53.82 3khp s GLU 153 Cb 0.00 -2.30 -0.10 0.00 2.00 0.00 0.00 34.13 33.73 3khp s GLU 153 CO 0.00 0.25 1.36 1.03 -0.56 0.00 0.00 175.26 177.33 3khp s ARG 154 N 0.18 4.32 0.60 4.30 0.52 -1.26 -5.04 118.95 122.57 3khp s ARG 154 Ca -0.13 2.24 -0.16 0.00 -0.52 0.00 0.00 55.73 57.15 3khp s ARG 154 Cb -0.16 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 3khp s ARG 154 CO 0.07 -0.28 1.08 -1.25 0.02 0.00 0.00 175.30 174.94 3khp s PRO 155 N -1.15 3.19 0.14 3.54 0.05 -1.26 -4.96 135.00 134.55 3khp s PRO 155 Ca 0.53 1.30 -0.31 0.00 0.05 0.00 0.00 61.00 62.57 3khp s PRO 155 Cb -0.40 -2.01 -0.10 0.00 0.05 0.00 0.00 34.50 32.04 3khp s PRO 155 CO 0.48 -0.92 1.70 0.00 0.05 0.00 0.00 177.00 178.31 3khp s ALA 156 N -2.34 3.79 0.48 8.56 0.00 -1.26 -4.96 121.76 126.04 3khp s ALA 156 Ca 0.66 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.80 3khp s ALA 156 Cb -0.18 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 3khp s ALA 156 CO 0.36 -1.02 1.08 0.00 0.00 0.00 0.00 175.76 176.19 3khp n ALA 157 N 4.83 0.54 -1.64 0.00 0.00 -1.26 -4.95 120.51 118.02 3khp n ALA 157 Ca 0.16 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 3khp n ALA 157 Cb 0.38 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.73 3khp n ALA 157 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3khp s PRO 158 N -2.33 2.79 -0.21 0.00 0.02 -1.26 -4.97 135.00 129.04 3khp s PRO 158 Ca 0.67 1.75 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 3khp s PRO 158 Cb -0.49 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 3khp s PRO 158 CO 0.54 -1.33 0.38 -2.00 -0.33 0.00 0.00 177.00 174.26 3khp s GLU 159 N -3.54 4.15 -0.35 5.54 2.56 -1.26 -4.96 118.70 120.85 3khp s GLU 159 Ca 0.75 0.15 -0.15 0.00 0.00 0.00 0.00 54.97 55.73 3khp s GLU 159 Cb -0.29 -3.55 -0.01 0.00 2.00 0.00 0.00 34.13 32.28 3khp s GLU 159 CO 0.36 -0.05 0.34 -0.06 -0.56 0.00 0.00 175.26 175.29 3khp s PHE 160 N 1.36 3.21 0.42 5.30 0.08 -1.26 -4.95 117.98 122.15 3khp s PHE 160 Ca 0.18 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.89 3khp s PHE 160 Cb -0.15 -2.63 -0.10 0.00 -0.57 0.00 0.00 43.02 39.57 3khp s PHE 160 CO 0.08 -0.43 1.12 -2.30 -0.10 0.00 0.00 175.22 173.59 3khp n PRO 161 N 5.32 1.58 0.00 0.24 -0.02 -1.26 -4.86 135.00 136.00 3khp n PRO 161 Ca -0.10 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 3khp n PRO 161 Cb 0.49 -2.18 0.60 0.00 -0.02 0.00 0.00 33.50 32.39 3khp n PRO 161 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3khp n ASP 162 N 0.35 0.00 -4.91 2.55 2.03 -1.26 -4.82 116.55 110.49 3khp n ASP 162 Ca 0.08 -0.70 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 3khp n ASP 162 Cb 0.39 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.85 3khp n ASP 162 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3khp s ARG 163 N -2.00 2.33 0.66 -0.67 1.70 -1.26 -5.07 118.95 114.63 3khp s ARG 163 Ca 0.30 -1.01 -0.18 0.00 -0.47 0.00 0.00 55.73 54.38 3khp s ARG 163 Cb 0.14 -2.49 -0.00 0.00 -0.57 0.00 0.00 34.95 32.02 3khp s ARG 163 CO 0.23 -0.87 1.28 -1.01 -1.08 0.00 0.00 175.30 173.85 3khp s HIS 164 N -2.80 2.07 0.61 5.89 3.76 -1.26 -4.96 115.29 118.59 3khp s HIS 164 Ca 0.60 1.50 -0.19 0.00 -0.15 0.00 0.00 55.06 56.82 3khp s HIS 164 Cb -0.09 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 3khp s HIS 164 CO 0.39 -2.87 1.29 -1.25 -0.85 0.00 0.00 174.74 171.45 3khp s PRO 165 N -3.46 2.81 0.40 8.40 0.04 -1.26 -4.92 135.00 137.01 3khp s PRO 165 Ca 0.81 2.05 0.20 0.00 0.04 0.00 0.00 61.00 64.10 3khp s PRO 165 Cb -0.36 -1.98 0.81 0.00 0.04 0.00 0.00 34.50 33.02 3khp s PRO 165 CO 0.40 -1.39 1.80 -0.44 0.04 0.00 0.00 177.00 177.41 3khp h ASP 166 N 0.88 0.00 -4.55 6.66 3.32 -1.26 -3.45 116.42 118.01 3khp h ASP 166 Ca -0.51 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.42 3khp h ASP 166 Cb 1.32 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.65 3khp h ASP 166 CO 0.55 0.32 -0.29 0.00 -1.72 0.00 0.00 179.24 178.10 3khp s ALA 167 N -3.75 -0.81 -0.20 3.45 0.00 -1.02 -5.02 121.76 114.40 3khp s ALA 167 Ca -0.01 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3khp s ALA 167 Cb 0.12 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.10 3khp s ALA 167 CO 0.67 -0.22 -0.12 0.50 0.00 0.00 0.00 175.76 176.59 3khp s ARG 168 N -0.74 2.19 -0.24 0.00 3.52 -1.26 -1.21 118.95 121.20 3khp s ARG 168 Ca -0.08 -0.88 -0.00 0.00 -0.13 0.00 0.00 55.73 54.63 3khp s ARG 168 Cb -0.04 -2.47 0.03 0.00 -1.56 0.00 0.00 34.95 30.91 3khp s ARG 168 CO 0.03 -0.41 -0.10 0.42 -0.81 0.00 0.00 175.30 174.43 3khp s ILE 169 N 1.35 2.56 -0.08 4.11 -1.09 -0.41 -4.94 121.20 122.70 3khp s ILE 169 Ca -0.01 -1.16 -0.16 0.00 -2.23 0.00 0.00 60.65 57.09 3khp s ILE 169 Cb -0.16 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 3khp s ILE 169 CO -0.09 0.20 0.41 -1.81 -1.23 0.00 0.00 174.94 172.43 3khp s ASP 170 N 1.26 6.68 -0.15 3.58 1.01 -1.26 -0.69 116.67 127.10 3khp s ASP 170 Ca -0.01 0.81 -0.00 0.00 0.71 0.00 0.00 52.55 54.05 3khp s ASP 170 Cb -0.17 -2.25 0.03 0.00 1.01 0.00 0.00 42.92 41.54 3khp s ASP 170 CO -0.06 0.15 -0.09 -0.04 0.21 0.00 0.00 175.17 175.33 3khp s MET 171 N -0.06 1.79 0.69 8.23 -1.94 0.10 -4.97 119.30 123.14 3khp s MET 171 Ca 0.23 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 53.56 3khp s MET 171 Cb -0.15 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.71 3khp s MET 171 CO 0.10 -0.34 1.10 -1.25 -0.01 0.00 0.00 175.02 174.62 3khp s PRO 172 N 1.57 2.65 0.27 2.03 0.04 -1.26 0.07 135.00 140.37 3khp s PRO 172 Ca 0.03 1.31 0.11 0.00 0.04 0.00 0.00 61.00 62.48 3khp s PRO 172 Cb -0.14 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3khp s PRO 172 CO -0.09 -1.36 -0.17 0.95 0.04 0.00 0.00 177.00 176.37 3khp s THR 173 N -2.53 2.27 0.24 1.26 -4.23 -1.12 -4.84 115.64 106.68 3khp s THR 173 Ca 0.65 -2.34 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 3khp s THR 173 Cb -0.19 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 3khp s THR 173 CO 0.46 -0.42 0.37 -0.13 -0.54 0.00 0.00 174.62 174.36 3khp s ARG 174 N -3.56 3.44 0.50 3.99 0.52 -1.26 -3.60 118.95 118.98 3khp s ARG 174 Ca 0.29 -0.75 0.21 0.00 -0.52 0.00 0.00 55.73 54.95 3khp s ARG 174 Cb -0.03 -2.88 1.29 0.00 0.52 0.00 0.00 34.95 33.84 3khp s ARG 174 CO 0.13 0.42 2.07 1.49 0.02 0.00 0.00 175.30 179.44 3khp h GLU 175 N 1.16 0.00 -0.45 3.54 4.22 -1.91 -2.14 114.58 119.01 3khp h GLU 175 Ca -0.52 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3khp h GLU 175 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3khp h GLU 175 CO 0.61 0.12 0.00 -0.40 -2.18 0.00 0.00 179.01 177.16 3khp n ASP 176 N -4.07 4.00 0.19 1.04 5.75 -1.26 -4.69 116.55 117.51 3khp n ASP 176 Ca -0.02 -2.49 0.04 0.00 -0.01 0.00 0.00 54.79 52.30 3khp n ASP 176 Cb 0.20 -0.47 0.40 0.00 -1.03 0.00 0.00 41.12 40.22 3khp n ASP 176 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3khp h GLN 177 N 2.83 0.00 -0.10 0.11 4.15 -1.78 -1.35 115.11 118.98 3khp h GLN 177 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3khp h GLN 177 Cb 1.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 3khp h GLN 177 CO 0.17 0.34 -0.16 0.00 -1.93 0.00 0.00 178.83 177.24 3khp h ALA 178 N 1.66 1.55 0.00 3.38 0.00 -1.84 -0.41 119.26 123.61 3khp h ALA 178 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3khp h ALA 178 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3khp h ALA 178 CO 0.04 0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 179.32 3khp h LEU 179 N 0.15 0.00 0.10 0.00 3.38 -1.51 -1.43 115.31 116.00 3khp h LEU 179 Ca 0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 3khp h LEU 179 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3khp h LEU 179 CO 0.02 0.24 -2.02 -0.38 0.09 0.00 0.00 178.44 176.39 3khp n ILE 180 N -3.90 1.74 0.07 1.22 5.41 -0.99 -4.24 119.36 118.66 3khp n ILE 180 Ca -0.02 -0.61 0.05 0.00 1.00 0.00 0.00 62.75 63.17 3khp n ILE 180 Cb 0.32 -1.72 0.48 0.00 -0.71 0.00 0.00 39.64 38.02 3khp n ILE 180 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3khp h TYR 181 N -0.00 0.38 0.00 1.39 3.20 -0.89 -2.61 116.97 118.43 3khp h TYR 181 Ca -0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3khp h TYR 181 Cb 1.98 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.12 3khp h TYR 181 CO 0.07 0.24 0.00 2.89 -1.64 0.00 0.00 178.16 179.72 3khp n ARG 182 N -4.49 0.13 -0.05 1.82 1.85 -0.56 -1.49 116.66 113.87 3khp n ARG 182 Ca 0.02 0.28 0.10 0.00 -1.00 0.00 0.00 57.85 57.25 3khp n ARG 182 Cb 0.07 -1.71 0.46 0.00 -1.05 0.00 0.00 32.46 30.23 3khp n ARG 182 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3khp n LEU 183 N -1.94 1.06 -0.99 2.89 4.77 -0.98 -1.38 117.00 120.42 3khp n LEU 183 Ca 0.04 -0.43 0.08 0.00 -0.03 0.00 0.00 56.01 55.66 3khp n LEU 183 Cb 0.26 -0.06 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 3khp n LEU 183 CO 0.21 0.22 0.69 -1.20 -1.33 0.00 0.00 177.39 175.97 3khp n SER 184 N -0.09 2.88 0.00 -1.43 7.64 -0.55 -4.96 113.62 117.11 3khp n SER 184 Ca 0.16 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.96 3khp n SER 184 Cb 0.24 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3khp n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khp n GLY 185 N 1.20 1.08 3.43 0.23 0.00 -0.48 -4.96 105.19 105.70 3khp n GLY 185 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3khp n GLY 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khp s ASP 186 N -0.56 6.55 0.00 1.61 -1.08 -1.13 -4.85 116.67 117.22 3khp s ASP 186 Ca 0.00 -1.94 0.16 0.00 -0.52 0.00 0.00 52.55 50.26 3khp s ASP 186 Cb 0.00 -2.37 0.98 0.00 -1.46 0.00 0.00 42.92 40.07 3khp s ASP 186 CO 0.00 -1.06 1.63 0.54 0.52 0.00 0.00 175.17 176.80 3khp n ARG 187 N 6.40 1.00 -1.68 4.34 5.12 -1.26 -4.58 116.66 125.99 3khp n ARG 187 Ca 0.17 0.00 -0.60 0.00 -1.93 0.00 0.00 57.85 55.49 3khp n ARG 187 Cb 0.48 -1.26 -0.08 0.00 -1.16 0.00 0.00 32.46 30.44 3khp n ARG 187 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3khp n ASN 188 N -0.76 1.98 0.02 0.55 5.15 -1.26 -4.81 115.26 116.14 3khp n ASN 188 Ca 0.12 1.04 0.09 0.00 -0.60 0.00 0.00 54.58 55.23 3khp n ASN 188 Cb 0.06 -1.07 0.37 0.00 -0.53 0.00 0.00 39.78 38.61 3khp n ASN 188 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3khp n PRO 189 N 5.32 0.03 -0.04 1.20 -0.04 -1.26 -1.76 135.00 138.45 3khp n PRO 189 Ca 0.30 0.24 0.24 0.00 -0.04 0.00 0.00 63.50 64.24 3khp n PRO 189 Cb 0.08 -1.55 0.67 0.00 -0.04 0.00 0.00 33.50 32.66 3khp n PRO 189 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3khp h LEU 190 N 0.00 0.00 -0.56 1.53 5.85 -1.87 -0.92 115.31 119.34 3khp h LEU 190 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3khp h LEU 190 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3khp h LEU 190 CO 0.00 0.00 -0.56 1.41 -0.34 0.00 0.00 178.44 178.95 3khp n HIS 191 N -3.65 0.00 0.00 1.25 8.25 -0.73 -2.54 115.22 117.80 3khp n HIS 191 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3khp n HIS 191 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 3khp n HIS 191 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3khp n SER 192 N -0.60 1.74 -4.45 0.41 3.41 -0.86 -4.59 113.62 108.67 3khp n SER 192 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3khp n SER 192 Cb 0.34 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 3khp n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3khp s ASP 193 N -1.92 5.97 0.47 4.04 2.15 -0.41 -4.97 116.67 122.00 3khp s ASP 193 Ca 0.00 -0.80 0.22 0.00 0.43 0.00 0.00 52.55 52.40 3khp s ASP 193 Cb 0.00 -2.11 1.18 0.00 -0.30 0.00 0.00 42.92 41.69 3khp s ASP 193 CO 0.00 -0.37 1.98 1.55 -0.17 0.00 0.00 175.17 178.16 3khp h PRO 194 N 8.54 0.00 -0.05 4.34 0.13 -1.96 -1.39 132.00 141.62 3khp h PRO 194 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3khp h PRO 194 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3khp h PRO 194 CO 0.69 0.19 0.03 2.35 -0.23 0.00 0.00 178.00 181.03 3khp h TRP 195 N 0.00 0.06 -0.67 1.56 7.01 -1.94 0.45 115.95 122.42 3khp h TRP 195 Ca -0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 3khp h TRP 195 Cb 0.45 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 3khp h TRP 195 CO 0.00 0.07 0.10 0.35 -2.79 0.00 0.00 178.44 176.18 3khp h PHE 196 N 0.03 1.19 -0.35 2.65 3.57 -1.77 0.42 116.94 122.68 3khp h PHE 196 Ca 0.02 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3khp h PHE 196 Cb 0.03 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3khp h PHE 196 CO -0.06 1.00 0.09 0.00 -2.23 0.00 0.00 178.31 177.10 3khp h ALA 197 N 1.06 0.46 0.14 2.41 0.00 -1.13 -1.43 119.26 120.77 3khp h ALA 197 Ca 0.20 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 3khp h ALA 197 Cb 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3khp h ALA 197 CO 0.01 0.13 -1.65 1.79 0.00 0.00 0.00 179.25 179.53 3khp h THR 198 N 0.42 1.03 0.02 0.00 1.35 -0.72 -0.88 112.91 114.12 3khp h THR 198 Ca 0.11 -2.66 -0.30 0.00 -0.55 0.00 0.00 66.41 63.01 3khp h THR 198 Cb 0.29 2.74 -0.05 0.00 -1.73 0.00 0.00 68.15 69.41 3khp h THR 198 CO 0.00 0.82 -1.75 0.00 -0.25 0.00 0.00 175.52 174.34 3khp n GLN 199 N -3.50 0.65 -0.10 4.72 1.13 0.15 -4.11 117.38 116.32 3khp n GLN 199 Ca -0.20 0.29 -0.15 0.00 -1.94 0.00 0.00 57.00 55.00 3khp n GLN 199 Cb 1.06 -1.78 -0.09 0.00 0.11 0.00 0.00 30.24 29.54 3khp n GLN 199 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3khp n LEU 200 N -3.10 2.73 0.01 1.08 4.77 -0.97 -4.78 117.00 116.74 3khp n LEU 200 Ca -0.19 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 55.86 3khp n LEU 200 Cb 1.05 -0.67 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3khp n LEU 200 CO 0.45 0.76 0.22 0.00 -1.33 0.00 0.00 177.39 177.49 3khp n ALA 201 N -3.21 3.72 -1.06 -1.18 0.00 -0.58 -4.96 120.51 113.24 3khp n ALA 201 Ca -0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 3khp n ALA 201 Cb 0.85 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 3khp n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khp n GLY 202 N 1.45 0.55 3.73 0.00 0.00 -0.94 -4.98 105.19 105.00 3khp n GLY 202 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3khp n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khp s PHE 203 N -2.01 2.96 -0.27 1.61 0.08 -0.38 -5.01 117.98 114.96 3khp s PHE 203 Ca 0.00 -0.10 0.27 0.00 0.12 0.00 0.00 56.93 57.22 3khp s PHE 203 Cb 0.00 -1.41 0.82 0.00 -0.57 0.00 0.00 43.02 41.86 3khp s PHE 203 CO 0.00 0.53 1.77 -1.00 -0.10 0.00 0.00 175.22 176.42 3khp h PRO 204 N 2.38 0.00 -2.59 0.24 0.13 -1.95 -3.25 132.00 126.96 3khp h PRO 204 Ca -0.47 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3khp h PRO 204 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 3khp h PRO 204 CO 0.60 0.00 0.39 -1.59 -0.23 0.00 0.00 178.00 177.17 3khp s LYS 205 N -3.38 1.38 0.50 0.86 -2.85 -1.26 -4.86 119.74 110.12 3khp s LYS 205 Ca 0.05 -0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 54.05 3khp s LYS 205 Cb 0.08 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 3khp s LYS 205 CO 0.59 -0.63 1.34 -2.14 0.10 0.00 0.00 175.35 174.61 3khp s PRO 206 N -3.51 3.45 0.17 1.78 0.02 -1.26 -4.88 135.00 130.76 3khp s PRO 206 Ca 0.11 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3khp s PRO 206 Cb -0.03 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 3khp s PRO 206 CO 0.02 -0.93 0.33 0.96 -0.33 0.00 0.00 177.00 177.05 3khp s ILE 207 N -1.31 5.27 0.37 2.83 -4.36 -1.05 -4.46 121.20 118.48 3khp s ILE 207 Ca 0.66 -0.47 -0.28 0.00 -0.26 0.00 0.00 60.65 60.30 3khp s ILE 207 Cb -0.39 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 39.49 3khp s ILE 207 CO 0.48 -0.10 1.40 -0.22 0.24 0.00 0.00 174.94 176.73 3khp s LEU 208 N -3.18 4.33 0.21 0.37 2.96 0.15 -4.20 118.68 119.31 3khp s LEU 208 Ca 0.37 2.87 -0.32 0.00 -0.22 0.00 0.00 54.13 56.83 3khp s LEU 208 Cb -0.11 -3.71 -0.14 0.00 0.50 0.00 0.00 46.19 42.72 3khp s LEU 208 CO 0.29 -0.78 1.33 1.41 -1.32 0.00 0.00 176.35 177.28 3khp n HIS 209 N 0.48 1.86 -0.35 5.38 8.25 -1.26 -4.61 115.22 124.97 3khp n HIS 209 Ca 0.01 0.51 0.07 0.00 -0.26 0.00 0.00 57.72 58.06 3khp n HIS 209 Cb 0.41 -2.40 0.24 0.00 1.12 0.00 0.00 29.99 29.36 3khp n HIS 209 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3khp h GLY 210 N 4.04 1.59 2.00 -1.41 0.00 -1.96 -1.42 103.07 105.92 3khp h GLY 210 Ca -0.44 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 3khp h GLY 210 CO 0.75 0.11 -0.11 1.41 0.00 0.00 0.00 176.54 178.70 3khp h LEU 211 N 0.91 0.00 -0.10 3.11 3.38 -1.98 -0.35 115.31 120.29 3khp h LEU 211 Ca 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.40 3khp h LEU 211 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3khp h LEU 211 CO -0.28 0.11 -0.18 0.00 0.09 0.00 0.00 178.44 178.18 3khp h THR 213 N -0.16 0.90 -0.69 0.00 2.02 -0.88 0.13 112.91 114.24 3khp h THR 213 Ca 0.00 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3khp h THR 213 Cb 0.76 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3khp h THR 213 CO 0.04 0.11 0.42 0.22 0.37 0.00 0.00 175.52 176.67 3khp h TYR 214 N 0.59 0.77 -0.44 3.16 3.20 -1.07 -1.23 116.97 121.95 3khp h TYR 214 Ca 0.30 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 3khp h TYR 214 Cb 0.26 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3khp h TYR 214 CO -0.10 0.42 -0.21 0.78 -1.64 0.00 0.00 178.16 177.40 3khp h GLY 215 N 0.80 0.96 1.00 1.82 0.00 0.09 -1.20 103.07 106.54 3khp h GLY 215 Ca 0.29 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3khp h GLY 215 CO -0.13 0.76 0.38 -2.08 0.00 0.00 0.00 176.54 175.46 3khp h VAL 216 N 0.77 1.17 -0.58 4.60 2.07 -0.39 -0.92 116.25 122.97 3khp h VAL 216 Ca 0.10 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3khp h VAL 216 Cb 0.76 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3khp h VAL 216 CO 0.06 0.17 0.19 0.00 0.02 0.00 0.00 177.57 178.01 3khp h ALA 217 N 1.20 1.25 -0.81 1.67 0.00 -1.11 -2.29 119.26 119.17 3khp h ALA 217 Ca 0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3khp h ALA 217 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3khp h ALA 217 CO -0.04 0.54 0.53 0.78 0.00 0.00 0.00 179.25 181.06 3khp h GLY 218 N 0.98 1.15 0.70 0.00 0.00 -0.40 -0.21 103.07 105.29 3khp h GLY 218 Ca 0.19 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3khp h GLY 218 CO -0.01 0.40 0.04 3.21 0.00 0.00 0.00 176.54 180.17 3khp h ARG 219 N 1.08 0.12 -0.96 4.80 3.08 -0.66 0.50 114.38 122.34 3khp h ARG 219 Ca 0.30 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.39 3khp h ARG 219 Cb -0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3khp h ARG 219 CO -0.08 0.08 0.63 0.00 -1.07 0.00 0.00 179.97 179.53 3khp h ALA 220 N 1.18 1.40 -0.10 0.04 0.00 -1.03 -1.99 119.26 118.76 3khp h ALA 220 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3khp h ALA 220 Cb 0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3khp h ALA 220 CO -0.16 0.50 -0.03 -0.07 0.00 0.00 0.00 179.25 179.50 3khp h LEU 221 N 1.19 0.20 -0.88 0.00 3.38 -0.64 -1.81 115.31 116.75 3khp h LEU 221 Ca 0.39 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3khp h LEU 221 Cb 0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3khp h LEU 221 CO -0.12 0.53 0.52 0.58 0.09 0.00 0.00 178.44 180.04 3khp h VAL 222 N -0.12 0.91 0.55 1.22 2.07 -0.77 0.29 116.25 120.39 3khp h VAL 222 Ca 0.03 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3khp h VAL 222 Cb 0.44 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3khp h VAL 222 CO 0.01 0.16 -0.27 0.00 0.02 0.00 0.00 177.57 177.49 3khp h ALA 223 N 1.48 -0.79 0.40 1.67 0.00 -1.28 -0.91 119.26 119.84 3khp h ALA 223 Ca 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3khp h ALA 223 Cb 0.40 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3khp h ALA 223 CO -0.25 -0.74 -0.19 1.49 0.00 0.00 0.00 179.25 179.56 3khp h GLU 224 N -1.12 -0.52 0.21 0.00 4.57 -1.29 -3.06 114.58 113.37 3khp h GLU 224 Ca -0.08 0.04 -0.30 0.00 -1.18 0.00 0.00 59.36 57.84 3khp h GLU 224 Cb 0.57 0.12 0.03 0.00 -0.16 0.00 0.00 28.75 29.30 3khp h GLU 224 CO 0.12 -0.22 -1.34 -0.07 -1.18 0.00 0.00 179.01 176.32 3khp h LEU 225 N -0.83 0.68 -1.72 1.64 3.38 -1.11 -3.37 115.31 113.98 3khp h LEU 225 Ca -0.06 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.99 3khp h LEU 225 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3khp h LEU 225 CO 0.09 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.87 3khp n GLY 226 N 1.73 1.20 2.38 0.83 0.00 -0.77 -4.90 105.19 105.66 3khp n GLY 226 Ca -0.18 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3khp n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 227 N 1.21 1.30 1.73 -0.02 0.00 -1.10 -0.67 105.19 107.64 3khp n GLY 227 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3khp n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khp n GLY 228 N -0.44 0.74 3.23 -0.02 0.00 -0.42 -4.98 105.19 103.30 3khp n GLY 228 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3khp n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khp s VAL 229 N -2.66 3.99 0.26 1.61 1.01 0.16 -4.92 120.40 119.84 3khp s VAL 229 Ca 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 3khp s VAL 229 Cb 0.00 -3.50 0.30 0.00 0.00 0.00 0.00 36.38 33.18 3khp s VAL 229 CO 0.00 -0.54 1.63 0.00 0.00 0.00 0.00 175.10 176.19 3khp h ALA 230 N 8.33 0.88 0.00 5.51 0.00 -1.87 0.50 119.26 132.61 3khp h ALA 230 Ca -0.21 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3khp h ALA 230 Cb 1.07 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3khp h ALA 230 CO 0.75 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3khp h ALA 231 N 1.74 1.00 0.00 0.00 0.00 -1.93 -1.22 119.26 118.85 3khp h ALA 231 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3khp h ALA 231 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3khp h ALA 231 CO -0.69 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.65 3khp n ASN 232 N -2.54 0.06 -4.65 0.00 3.02 0.17 -4.67 115.26 106.64 3khp n ASN 232 Ca -0.01 0.51 -0.39 0.00 -0.03 0.00 0.00 54.58 54.66 3khp n ASN 232 Cb 0.08 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.65 3khp n ASN 232 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khp s ILE 233 N -3.02 5.18 -0.21 2.41 -1.09 -0.46 -0.66 121.20 123.34 3khp s ILE 233 Ca 0.10 0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 59.17 3khp s ILE 233 Cb 0.14 -3.73 -0.20 0.00 -1.58 0.00 0.00 42.46 37.09 3khp s ILE 233 CO 0.40 0.21 -0.03 0.41 -1.23 0.00 0.00 174.94 174.70 3khp n THR 234 N 4.65 1.59 -3.69 2.92 -1.04 0.52 -4.82 114.28 114.41 3khp n THR 234 Ca -0.08 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 3khp n THR 234 Cb 0.51 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 3khp n THR 234 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khp s SER 235 N -6.81 -0.27 -0.09 8.00 1.04 -0.93 -0.88 113.70 113.76 3khp s SER 235 Ca -0.31 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 3khp s SER 235 Cb 0.09 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.64 3khp s SER 235 CO 0.64 -0.58 0.20 -0.63 0.98 0.00 0.00 173.24 173.85 3khp s ILE 236 N -2.00 -0.20 0.04 -1.02 1.01 -0.75 -1.86 121.20 116.42 3khp s ILE 236 Ca -0.08 0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.87 3khp s ILE 236 Cb -0.02 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 3khp s ILE 236 CO 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 174.94 174.91 3khp s ALA 237 N 1.85 1.18 0.20 9.38 0.00 -0.33 -0.56 121.76 133.48 3khp s ALA 237 Ca -0.03 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 3khp s ALA 237 Cb -0.12 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3khp s ALA 237 CO -0.07 0.22 0.58 0.00 0.00 0.00 0.00 175.76 176.49 3khp s ALA 238 N -0.87 -1.16 -0.10 0.00 0.00 0.21 -1.24 121.76 118.60 3khp s ALA 238 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3khp s ALA 238 Cb -0.08 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3khp s ALA 238 CO 0.01 -0.84 -0.12 0.50 0.00 0.00 0.00 175.76 175.31 3khp s ARG 239 N -3.85 3.09 -0.52 0.00 3.52 -0.19 -0.64 118.95 120.35 3khp s ARG 239 Ca 0.07 -0.67 -0.24 0.00 -0.13 0.00 0.00 55.73 54.76 3khp s ARG 239 Cb -0.02 -2.57 0.04 0.00 -1.56 0.00 0.00 34.95 30.84 3khp s ARG 239 CO -0.04 0.37 0.94 -0.06 -0.81 0.00 0.00 175.30 175.70 3khp s PHE 240 N -0.07 2.83 -0.24 5.12 0.08 -0.06 -1.07 117.98 124.57 3khp s PHE 240 Ca -0.02 0.10 0.05 0.00 0.12 0.00 0.00 56.93 57.18 3khp s PHE 240 Cb -0.14 -4.04 -0.19 0.00 -0.57 0.00 0.00 43.02 38.08 3khp s PHE 240 CO 0.04 -1.28 -0.14 0.25 -0.10 0.00 0.00 175.22 173.99 3khp n THR 241 N 6.26 1.48 -3.96 0.64 -2.24 -1.01 -0.29 114.28 115.17 3khp n THR 241 Ca 0.03 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 3khp n THR 241 Cb 0.48 -1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 3khp n THR 241 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3khp s LYS 242 N -2.52 0.60 0.64 -0.78 1.02 -1.24 -4.73 119.74 112.73 3khp s LYS 242 Ca -0.29 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 3khp s LYS 242 Cb 0.08 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 3khp s LYS 242 CO 0.65 -0.15 1.07 -1.25 -0.92 0.00 0.00 175.35 174.75 3khp s PRO 243 N -2.94 3.10 -0.02 -1.68 0.05 -1.26 -4.66 135.00 127.59 3khp s PRO 243 Ca -0.02 1.17 0.07 0.00 0.05 0.00 0.00 61.00 62.27 3khp s PRO 243 Cb 0.01 -2.00 -0.02 0.00 0.05 0.00 0.00 34.50 32.54 3khp s PRO 243 CO -0.06 -0.99 -0.22 0.08 0.05 0.00 0.00 177.00 175.86 3khp s VAL 244 N -2.60 1.76 -0.08 -0.36 1.01 -1.26 -4.98 120.40 113.88 3khp s VAL 244 Ca 0.63 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3khp s VAL 244 Cb -0.16 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3khp s VAL 244 CO 0.43 0.50 0.25 -0.36 0.00 0.00 0.00 175.10 175.91 3khp s PHE 245 N -0.52 3.63 0.30 5.22 0.08 -1.26 0.31 117.98 125.74 3khp s PHE 245 Ca 0.09 0.69 -0.29 0.00 0.12 0.00 0.00 56.93 57.53 3khp s PHE 245 Cb -0.09 -2.10 -0.10 0.00 -0.57 0.00 0.00 43.02 40.16 3khp s PHE 245 CO -0.01 0.65 1.44 -2.14 -0.10 0.00 0.00 175.22 175.06 3khp s PRO 246 N -0.87 4.24 0.00 0.24 0.02 -1.26 -1.83 135.00 135.54 3khp s PRO 246 Ca 0.18 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3khp s PRO 246 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3khp s PRO 246 CO 0.07 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3khp n GLY 247 N 1.44 1.58 3.79 0.52 0.00 -1.10 -4.47 105.19 106.96 3khp n GLY 247 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3khp n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khp s GLU 248 N -0.09 4.45 -0.07 1.61 2.02 -0.76 -4.51 118.70 121.36 3khp s GLU 248 Ca 0.00 1.18 -0.21 0.00 0.02 0.00 0.00 54.97 55.96 3khp s GLU 248 Cb 0.00 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 3khp s GLU 248 CO 0.00 0.27 0.61 0.99 0.02 0.00 0.00 175.26 177.15 3khp s THR 249 N -1.67 5.05 -0.25 3.63 2.01 -1.26 -2.81 115.64 120.34 3khp s THR 249 Ca 0.50 1.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 3khp s THR 249 Cb -0.17 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3khp s THR 249 CO 0.22 0.31 0.14 -0.76 -0.69 0.00 0.00 174.62 173.83 3khp s LEU 250 N 0.53 3.84 -0.28 4.42 1.43 0.11 -4.48 118.68 124.25 3khp s LEU 250 Ca 0.33 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3khp s LEU 250 Cb -0.17 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3khp s LEU 250 CO 0.16 -0.00 0.01 -0.55 0.23 0.00 0.00 176.35 176.20 3khp s SER 251 N 1.46 4.76 -0.29 2.29 0.15 0.59 0.02 113.70 122.69 3khp s SER 251 Ca 0.06 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 55.82 3khp s SER 251 Cb -0.15 -1.78 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 3khp s SER 251 CO 0.07 -0.17 0.12 -0.89 1.20 0.00 0.00 173.24 173.57 3khp s THR 252 N 1.41 4.47 -0.24 6.45 2.01 0.13 0.11 115.64 129.98 3khp s THR 252 Ca 0.01 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 3khp s THR 252 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3khp s THR 252 CO -0.01 0.15 0.12 0.68 -0.69 0.00 0.00 174.62 174.87 3khp s VAL 253 N 1.61 4.85 -0.02 3.82 -7.23 0.63 -1.29 120.40 122.76 3khp s VAL 253 Ca 0.05 0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.30 3khp s VAL 253 Cb -0.16 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 3khp s VAL 253 CO 0.05 0.34 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.31 3khp s ILE 254 N 1.32 2.22 -0.12 -0.62 1.01 -0.35 -1.63 121.20 123.02 3khp s ILE 254 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3khp s ILE 254 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3khp s ILE 254 CO 0.05 0.58 -0.13 0.26 0.00 0.00 0.00 174.94 175.70 3khp s TRP 255 N -0.64 1.88 0.13 3.97 0.51 -0.21 -0.66 118.94 123.92 3khp s TRP 255 Ca 0.10 -0.95 -0.30 0.00 -2.12 0.00 0.00 56.10 52.83 3khp s TRP 255 Cb -0.10 -1.41 -0.07 0.00 -0.81 0.00 0.00 33.47 31.08 3khp s TRP 255 CO -0.01 -0.53 1.15 1.03 -0.51 0.00 0.00 176.95 178.08 3khp s ARG 256 N 1.30 4.51 0.00 4.98 0.52 -1.26 -1.66 118.95 127.34 3khp s ARG 256 Ca -0.01 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 3khp s ARG 256 Cb -0.14 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3khp s ARG 256 CO -0.06 -0.09 0.00 0.25 0.02 0.00 0.00 175.30 175.43 3khp n THR 257 N 3.01 0.00 -1.53 0.02 -2.24 -0.98 -4.96 114.28 107.60 3khp n THR 257 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 3khp n THR 257 Cb 0.46 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.75 3khp n THR 257 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3khp s GLU 258 N 2.04 2.73 0.29 -0.78 8.01 -1.26 -4.89 118.70 124.83 3khp s GLU 258 Ca 0.00 1.10 -0.30 0.00 0.01 0.00 0.00 54.97 55.78 3khp s GLU 258 Cb 0.00 -1.96 -0.13 0.00 -4.31 0.00 0.00 34.13 27.74 3khp s GLU 258 CO 0.00 -1.27 1.42 -2.30 0.01 0.00 0.00 175.26 173.12 3khp n PRO 259 N -3.07 2.23 -1.29 0.39 -0.02 -1.26 -1.04 135.00 130.94 3khp n PRO 259 Ca 0.08 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3khp n PRO 259 Cb 0.53 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3khp n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khp n GLY 260 N 1.69 1.08 3.05 -1.23 0.00 -1.26 -4.99 105.19 103.53 3khp n GLY 260 Ca 0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3khp n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khp s ARG 261 N -2.66 0.58 0.18 1.61 1.81 -0.20 -0.94 118.95 119.33 3khp s ARG 261 Ca 0.00 -0.61 -0.11 0.00 -1.72 0.00 0.00 55.73 53.29 3khp s ARG 261 Cb 0.00 -0.46 -0.00 0.00 -0.45 0.00 0.00 34.95 34.04 3khp s ARG 261 CO 0.00 0.10 0.35 0.00 -0.68 0.00 0.00 175.30 175.08 3khp s ALA 262 N -0.94 -0.22 0.13 2.13 0.00 -0.72 -2.31 121.76 119.83 3khp s ALA 262 Ca -0.04 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.26 3khp s ALA 262 Cb -0.07 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3khp s ALA 262 CO 0.00 -0.70 -0.20 0.14 0.00 0.00 0.00 175.76 175.01 3khp s VAL 263 N -3.95 1.74 0.07 0.00 -7.23 -0.66 -1.51 120.40 108.86 3khp s VAL 263 Ca 0.16 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 3khp s VAL 263 Cb 0.02 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.33 3khp s VAL 263 CO 0.00 -0.17 0.35 0.72 -0.31 0.00 0.00 175.10 175.70 3khp s PHE 264 N -1.52 -0.16 0.14 2.82 -0.12 -0.40 -1.05 117.98 117.69 3khp s PHE 264 Ca 0.10 -0.03 0.06 0.00 -0.05 0.00 0.00 56.93 57.01 3khp s PHE 264 Cb -0.08 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3khp s PHE 264 CO 0.05 -0.59 -0.14 1.03 -0.05 0.00 0.00 175.22 175.52 3khp s ARG 265 N -3.04 1.09 -0.06 1.99 0.52 -0.65 -0.99 118.95 117.82 3khp s ARG 265 Ca -0.02 -1.32 0.05 0.00 -0.52 0.00 0.00 55.73 53.92 3khp s ARG 265 Cb 0.01 -0.96 -0.00 0.00 0.52 0.00 0.00 34.95 34.51 3khp s ARG 265 CO -0.06 0.18 -0.22 0.99 0.02 0.00 0.00 175.30 176.21 3khp s THR 266 N -2.32 1.84 0.13 0.02 2.01 -0.35 -0.27 115.64 116.70 3khp s THR 266 Ca 0.12 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.22 3khp s THR 266 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3khp s THR 266 CO 0.04 0.51 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.81 3khp s GLU 267 N 0.06 0.96 -0.22 4.92 2.02 0.12 -1.18 118.70 125.38 3khp s GLU 267 Ca -0.08 -1.41 -0.04 0.00 0.02 0.00 0.00 54.97 53.46 3khp s GLU 267 Cb -0.14 -0.36 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 3khp s GLU 267 CO 0.05 -0.01 -0.04 0.08 0.02 0.00 0.00 175.26 175.36 3khp s VAL 268 N -3.53 3.41 0.39 2.63 1.01 -0.56 -0.30 120.40 123.44 3khp s VAL 268 Ca 0.16 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 3khp s VAL 268 Cb 0.05 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 3khp s VAL 268 CO -0.01 0.43 1.39 0.00 0.00 0.00 0.00 175.10 176.90 3khp s ALA 269 N 1.42 3.42 0.00 5.51 0.00 -1.26 -1.20 121.76 129.65 3khp s ALA 269 Ca 0.05 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3khp s ALA 269 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3khp s ALA 269 CO -0.03 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3khp n GLY 270 N 0.62 -0.43 3.19 0.00 0.00 -1.26 -4.86 105.19 102.44 3khp n GLY 270 Ca 0.02 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3khp n GLY 270 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3khp n GLU 275 N 0.00 0.00 -1.79 1.61 -0.00 -1.26 -5.11 120.64 114.09 3khp n GLU 275 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.78 3khp n GLU 275 Cb 0.00 -0.96 0.05 0.00 -0.00 0.00 0.00 31.44 30.53 3khp n GLU 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3khp s ALA 276 N -1.55 2.64 -0.28 -1.84 0.00 -1.26 -5.00 121.76 114.47 3khp s ALA 276 Ca 0.58 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.71 3khp s ALA 276 Cb -0.64 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 18.89 3khp s ALA 276 CO 0.60 -1.43 0.14 0.50 0.00 0.00 0.00 175.76 175.57 3khp s ARG 277 N -3.10 3.66 -0.17 0.00 3.52 -0.34 -4.97 118.95 117.56 3khp s ARG 277 Ca 0.76 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 3khp s ARG 277 Cb -0.39 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.46 3khp s ARG 277 CO 0.44 -0.26 1.09 0.08 -0.81 0.00 0.00 175.30 175.84 3khp s VAL 278 N 1.67 4.58 -0.05 7.11 1.01 -1.26 -1.50 120.40 131.95 3khp s VAL 278 Ca 0.06 1.89 0.08 0.00 0.00 0.00 0.00 61.98 64.01 3khp s VAL 278 Cb -0.16 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.89 3khp s VAL 278 CO 0.07 -0.11 0.09 1.33 0.00 0.00 0.00 175.10 176.49 3khp n VAL 279 N 5.06 0.34 -4.74 2.92 0.24 -0.33 -3.68 118.33 118.15 3khp n VAL 279 Ca 0.11 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.34 61.87 3khp n VAL 279 Cb 0.46 -0.37 -0.17 0.00 -1.47 0.00 0.00 33.84 32.30 3khp n VAL 279 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3khp s LEU 280 N -4.22 1.76 0.30 1.34 1.43 -0.53 -2.42 118.68 116.35 3khp s LEU 280 Ca -0.04 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3khp s LEU 280 Cb 0.04 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 3khp s LEU 280 CO 0.34 0.07 0.04 -0.62 0.23 0.00 0.00 176.35 176.42 3khp s ASP 281 N 0.52 2.27 -1.49 2.29 -1.08 -0.23 -1.21 116.67 117.74 3khp s ASP 281 Ca -0.14 -1.34 -0.12 0.00 -0.52 0.00 0.00 52.55 50.43 3khp s ASP 281 Cb -0.16 -0.07 0.07 0.00 -1.46 0.00 0.00 42.92 41.30 3khp s ASP 281 CO 0.05 -0.58 0.95 0.47 0.52 0.00 0.00 175.17 176.58 3khp n ASP 282 N -0.63 -5.14 -4.77 -0.34 8.00 -1.26 -1.03 116.55 111.38 3khp n ASP 282 Ca -0.03 -0.66 -0.38 0.00 0.71 0.00 0.00 54.79 54.43 3khp n ASP 282 Cb 0.66 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.60 3khp n ASP 282 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3khp s GLY 283 N -3.20 2.88 -0.09 0.44 0.00 -0.16 -4.42 107.32 102.76 3khp s GLY 283 Ca 0.61 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.84 3khp s GLY 283 CO 0.75 1.07 0.23 0.00 0.00 0.00 0.00 173.10 175.15 3khp s ALA 284 N -1.50 -0.56 0.00 3.20 0.00 -0.38 -1.28 121.76 121.25 3khp s ALA 284 Ca 0.49 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3khp s ALA 284 Cb -0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3khp s ALA 284 CO 0.27 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.93 3khp s VAL 285 N 0.40 0.42 -0.09 0.00 1.01 -0.57 -1.19 120.40 120.39 3khp s VAL 285 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3khp s VAL 285 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3khp s VAL 285 CO -0.02 0.05 -0.16 -1.61 0.00 0.00 0.00 175.10 173.36 3khp s GLU 286 N -0.32 2.91 0.06 2.72 2.02 -0.77 -1.75 118.70 123.57 3khp s GLU 286 Ca 0.00 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 3khp s GLU 286 Cb -0.03 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.76 3khp s GLU 286 CO -0.00 0.40 0.27 1.52 0.02 0.00 0.00 175.26 177.47 3khp s TYR 287 N -0.15 -0.03 -0.08 1.61 -0.85 -0.11 -0.35 117.35 117.38 3khp s TYR 287 Ca -0.01 -0.21 -0.12 0.00 -0.52 0.00 0.00 57.07 56.21 3khp s TYR 287 Cb -0.14 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3khp s TYR 287 CO 0.03 -0.52 0.30 0.08 -1.52 0.00 0.00 175.55 173.92 3khp s VAL 288 N -2.99 5.25 -2.00 -3.49 1.01 0.16 -4.29 120.40 114.05 3khp s VAL 288 Ca -0.02 0.58 0.12 0.00 0.00 0.00 0.00 61.98 62.66 3khp s VAL 288 Cb 0.01 -3.61 0.34 0.00 0.00 0.00 0.00 36.38 33.12 3khp s VAL 288 CO -0.06 0.53 1.15 0.00 0.00 0.00 0.00 175.10 176.72