#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khp s PRO 2 N 0.00 1.76 0.27 6.28 0.02 -1.26 -4.96 135.00 137.11 1khp s PRO 2 Ca 0.00 0.47 0.09 0.00 0.02 0.00 0.00 61.00 61.58 1khp s PRO 2 Cb 0.00 -1.89 0.36 0.00 0.02 0.00 0.00 34.50 32.99 1khp s PRO 2 CO 0.00 -1.81 1.62 0.93 -0.33 0.00 0.00 177.00 177.41 1khp h GLU 3 N -1.22 0.06 -5.71 5.54 5.08 -1.99 -3.43 114.58 112.90 1khp h GLU 3 Ca -0.48 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.31 1khp h GLU 3 Cb 1.30 0.01 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 1khp h GLU 3 CO 0.61 0.63 -0.83 0.71 -1.00 0.00 0.00 179.01 179.13 1khp s TYR 4 N -3.69 1.56 -0.01 4.33 1.51 -1.26 -3.79 117.35 115.99 1khp s TYR 4 Ca -0.02 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1khp s TYR 4 Cb 0.13 -0.96 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1khp s TYR 4 CO 0.77 0.02 0.01 0.08 -1.11 0.00 0.00 175.55 175.32 1khp s VAL 5 N -0.62 0.03 -0.25 0.71 1.01 -0.30 -4.96 120.40 116.02 1khp s VAL 5 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1khp s VAL 5 Cb -0.08 -0.11 0.11 0.00 0.00 0.00 0.00 36.38 36.31 1khp s VAL 5 CO 0.01 0.07 0.24 -0.62 0.00 0.00 0.00 175.10 174.79 1khp s ASP 6 N 0.65 1.76 0.36 3.32 -1.08 -1.26 -0.34 116.67 120.08 1khp s ASP 6 Ca -0.06 -0.55 0.27 0.00 -0.52 0.00 0.00 52.55 51.69 1khp s ASP 6 Cb -0.08 0.34 1.22 0.00 -1.46 0.00 0.00 42.92 42.93 1khp s ASP 6 CO -0.02 -0.36 1.80 -0.50 0.52 0.00 0.00 175.17 176.61 1khp h TRP 7 N 8.31 0.00 -0.64 -5.34 4.06 -1.29 -1.93 115.95 119.11 1khp h TRP 7 Ca -0.16 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 1khp h TRP 7 Cb 1.11 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.24 1khp h TRP 7 CO 0.21 0.00 0.29 0.00 -3.56 0.00 0.00 178.44 175.38 1khp h ARG 8 N 0.00 0.93 0.00 0.49 3.08 -1.93 -2.07 114.38 114.89 1khp h ARG 8 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1khp h ARG 8 Cb 0.28 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1khp h ARG 8 CO 0.00 0.76 -0.05 1.96 -1.07 0.00 0.00 179.97 181.57 1khp h GLN 9 N 0.89 0.00 -0.53 0.04 4.20 -1.75 -2.49 115.11 115.47 1khp h GLN 9 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1khp h GLN 9 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1khp h GLN 9 CO -0.02 0.05 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 1khp n LYS 10 N -3.14 2.37 -2.09 1.46 5.02 -1.05 -4.94 118.16 115.79 1khp n LYS 10 Ca 0.02 -1.79 -0.11 0.00 -2.02 0.00 0.00 58.31 54.41 1khp n LYS 10 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1khp n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khp n GLY 11 N 1.12 0.09 0.30 0.72 0.00 -0.94 -4.92 105.19 101.56 1khp n GLY 11 Ca 0.16 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1khp n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khp n ALA 12 N -1.18 2.13 -3.29 4.61 0.00 -0.80 -4.74 120.51 117.24 1khp n ALA 12 Ca -0.12 -1.02 -0.31 0.00 0.00 0.00 0.00 53.44 51.99 1khp n ALA 12 Cb 0.57 -0.21 -0.17 0.00 0.00 0.00 0.00 19.45 19.64 1khp n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1khp s VAL 13 N -0.94 1.88 0.67 0.00 1.01 -1.25 -3.82 120.40 117.95 1khp s VAL 13 Ca 0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1khp s VAL 13 Cb 0.06 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1khp s VAL 13 CO 0.08 0.52 0.97 0.42 0.00 0.00 0.00 175.10 177.09 1khp s THR 14 N 0.43 2.49 0.66 3.92 -4.23 -1.26 -4.96 115.64 112.69 1khp s THR 14 Ca -0.18 -0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 1khp s THR 14 Cb -0.17 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 1khp s THR 14 CO 0.08 -0.06 0.68 -2.65 -0.54 0.00 0.00 174.62 172.12 1khp n PRO 15 N -2.81 0.50 -2.06 3.99 -0.02 -1.26 -4.93 135.00 128.41 1khp n PRO 15 Ca 0.08 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1khp n PRO 15 Cb 0.60 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1khp n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1khp s VAL 16 N -1.77 2.69 0.42 -1.45 1.01 -1.26 -5.03 120.40 115.02 1khp s VAL 16 Ca 0.70 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1khp s VAL 16 Cb -0.39 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1khp s VAL 16 CO 0.53 0.13 0.18 -0.54 0.00 0.00 0.00 175.10 175.40 1khp s LYS 17 N -1.11 2.22 -0.22 2.72 -0.14 -1.26 -4.81 119.74 117.13 1khp s LYS 17 Ca 0.54 -1.88 0.02 0.00 -1.36 0.00 0.00 55.97 53.28 1khp s LYS 17 Cb -0.41 -1.96 0.05 0.00 -1.68 0.00 0.00 37.83 33.83 1khp s LYS 17 CO 0.49 -0.15 -0.11 1.21 -0.76 0.00 0.00 175.35 176.03 1khp s ASN 18 N -3.92 3.80 0.53 2.83 3.84 -1.26 -1.49 114.94 119.27 1khp s ASN 18 Ca 0.39 -1.08 0.32 0.00 0.21 0.00 0.00 52.86 52.70 1khp s ASN 18 Cb 0.04 -1.37 1.22 0.00 -0.55 0.00 0.00 41.25 40.59 1khp s ASN 18 CO 0.22 -0.15 1.93 0.06 -2.79 0.00 0.00 177.10 176.36 1khp h GLN 19 N 7.89 0.00 0.00 0.43 3.07 -1.46 -3.48 115.11 121.57 1khp h GLN 19 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.48 1khp h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1khp h GLN 19 CO 0.48 0.01 0.00 0.41 0.09 0.00 0.00 178.83 179.83 1khp n GLY 20 N 0.17 0.06 3.33 0.06 0.00 -1.26 -4.20 105.19 103.35 1khp n GLY 20 Ca 0.01 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 1khp n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khp s SER 21 N -4.00 7.12 -0.29 1.61 1.04 -1.26 -4.84 113.70 113.07 1khp s SER 21 Ca 0.00 -3.33 -0.13 0.00 0.48 0.00 0.00 55.95 52.97 1khp s SER 21 Cb 0.00 -2.20 0.13 0.00 0.10 0.00 0.00 66.02 64.04 1khp s SER 21 CO 0.00 -0.37 0.76 0.00 0.98 0.00 0.00 173.24 174.61 1khp n GLY 23 N 4.88 3.47 1.03 0.00 0.00 0.24 -4.58 105.19 110.24 1khp n GLY 23 Ca -0.14 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.59 1khp n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1khp n SER 24 N 6.30 3.94 -0.00 1.61 3.41 -1.26 -2.81 113.62 124.81 1khp n SER 24 Ca 0.52 -2.63 0.22 0.00 -0.26 0.00 0.00 58.87 56.72 1khp n SER 24 Cb 0.36 -0.48 0.72 0.00 -0.26 0.00 0.00 64.21 64.55 1khp n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1khp h TRP 26 N 0.00 0.43 0.12 0.00 5.08 -1.82 -0.66 115.95 119.10 1khp h TRP 26 Ca 0.26 -0.11 -0.23 0.00 1.08 0.00 0.00 58.89 59.89 1khp h TRP 26 Cb 1.13 -0.10 0.02 0.00 -3.00 0.00 0.00 29.16 27.22 1khp h TRP 26 CO 0.00 0.68 -0.98 0.00 -1.28 0.00 0.00 178.44 176.86 1khp h ALA 27 N 1.31 -0.04 -0.95 0.11 0.00 -0.45 -2.74 119.26 116.49 1khp h ALA 27 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1khp h ALA 27 Cb 0.77 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1khp h ALA 27 CO 0.06 0.50 0.63 0.74 0.00 0.00 0.00 179.25 181.18 1khp h PHE 28 N -0.06 1.19 -0.21 0.00 -1.00 -0.92 -2.09 116.94 113.85 1khp h PHE 28 Ca -0.16 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.67 1khp h PHE 28 Cb 1.72 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 40.86 1khp h PHE 28 CO 0.15 0.72 0.07 1.03 -1.61 0.00 0.00 178.31 178.68 1khp h SER 29 N 1.26 0.08 -0.33 2.17 0.87 -1.16 -2.57 113.55 113.87 1khp h SER 29 Ca 0.36 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1khp h SER 29 Cb -0.09 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1khp h SER 29 CO -0.09 0.07 0.17 0.00 -0.53 0.00 0.00 176.83 176.45 1khp h ALA 30 N 1.13 0.42 -0.69 6.23 0.00 -1.15 -2.84 119.26 122.36 1khp h ALA 30 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1khp h ALA 30 Cb 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1khp h ALA 30 CO -0.10 -0.04 0.43 0.28 0.00 0.00 0.00 179.25 179.83 1khp h VAL 31 N 0.40 1.08 -0.66 0.00 2.07 -1.31 -2.01 116.25 115.82 1khp h VAL 31 Ca 0.11 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1khp h VAL 31 Cb 0.09 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 1khp h VAL 31 CO -0.02 0.15 0.30 0.58 0.02 0.00 0.00 177.57 178.60 1khp h VAL 32 N 0.83 0.81 -0.30 2.57 2.07 -1.22 0.17 116.25 121.18 1khp h VAL 32 Ca 0.28 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1khp h VAL 32 Cb 0.04 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1khp h VAL 32 CO -0.12 0.09 -0.16 0.71 0.02 0.00 0.00 177.57 178.11 1khp h THR 33 N 0.52 1.25 -0.16 2.57 1.35 -1.28 -1.31 112.91 115.84 1khp h THR 33 Ca 0.33 -1.13 -0.06 0.00 -0.55 0.00 0.00 66.41 65.01 1khp h THR 33 Cb 0.37 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1khp h THR 33 CO -0.28 0.37 -0.12 0.40 -0.25 0.00 0.00 175.52 175.63 1khp h ILE 34 N 0.49 1.33 -0.73 6.82 2.04 -0.48 -0.77 117.51 126.21 1khp h ILE 34 Ca 0.08 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.80 1khp h ILE 34 Cb 0.57 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 1khp h ILE 34 CO 0.04 0.36 0.38 -0.33 0.00 0.00 0.00 178.15 178.60 1khp h GLU 35 N 0.02 0.63 0.49 2.37 5.08 -0.72 -1.26 114.58 121.19 1khp h GLU 35 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1khp h GLU 35 Cb 0.63 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1khp h GLU 35 CO 0.03 0.42 -0.38 0.78 -1.00 0.00 0.00 179.01 178.86 1khp h GLY 36 N 0.65 -0.95 1.72 -3.84 0.00 -0.96 -2.79 103.07 96.89 1khp h GLY 36 Ca 0.35 0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.99 1khp h GLY 36 CO -0.25 -0.33 -0.45 1.19 0.00 0.00 0.00 176.54 176.70 1khp h ILE 37 N -0.85 1.32 -0.62 2.60 6.09 -0.85 -1.79 117.51 123.41 1khp h ILE 37 Ca -0.05 -1.62 -0.05 0.00 -1.37 0.00 0.00 64.86 61.77 1khp h ILE 37 Cb 0.73 1.72 -0.03 0.00 0.47 0.00 0.00 36.82 39.70 1khp h ILE 37 CO 0.01 0.49 0.17 0.40 -3.07 0.00 0.00 178.15 176.14 1khp h ILE 38 N 0.25 1.24 -0.43 2.19 1.08 -1.28 -1.91 117.51 118.65 1khp h ILE 38 Ca 0.02 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 1khp h ILE 38 Cb 0.89 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 1khp h ILE 38 CO 0.07 0.33 0.04 0.50 -0.69 0.00 0.00 178.15 178.40 1khp h LYS 39 N 0.92 0.74 -0.84 2.37 3.11 -1.16 -1.12 116.57 120.59 1khp h LYS 39 Ca 0.20 -0.21 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1khp h LYS 39 Cb 0.30 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.41 1khp h LYS 39 CO -0.00 0.78 0.47 0.82 -2.81 0.00 0.00 179.45 178.71 1khp h ILE 40 N 0.59 1.24 0.17 2.00 2.04 -0.99 0.19 117.51 122.75 1khp h ILE 40 Ca 0.13 -0.60 -0.32 0.00 1.00 0.00 0.00 64.86 65.07 1khp h ILE 40 Cb 0.42 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1khp h ILE 40 CO 0.01 0.27 -1.54 0.03 0.00 0.00 0.00 178.15 176.93 1khp h ARG 41 N 1.18 0.35 -0.01 2.37 2.47 -1.18 -3.38 114.38 116.19 1khp h ARG 41 Ca 0.30 -0.61 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1khp h ARG 41 Cb 0.02 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1khp h ARG 41 CO -0.05 1.25 -0.24 0.25 0.56 0.00 0.00 179.97 181.74 1khp n THR 42 N -3.56 0.00 -0.61 2.04 -2.24 -0.44 -5.00 114.28 104.48 1khp n THR 42 Ca -0.17 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1khp n THR 42 Cb 1.06 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 70.39 1khp n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khp n GLY 43 N 0.94 1.67 3.43 3.38 0.00 0.67 -5.00 105.19 110.27 1khp n GLY 43 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1khp n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1khp s ASN 44 N -3.31 4.14 -0.24 1.61 0.01 -1.25 -4.97 114.94 110.93 1khp s ASN 44 Ca 0.00 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.77 1khp s ASN 44 Cb 0.00 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.22 1khp s ASN 44 CO 0.00 0.23 0.27 -0.22 -1.51 0.00 0.00 177.10 175.87 1khp s LEU 45 N -0.03 4.11 0.07 0.60 2.96 -1.26 -3.60 118.68 121.53 1khp s LEU 45 Ca -0.03 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1khp s LEU 45 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1khp s LEU 45 CO 0.04 -0.02 -0.07 0.20 -1.32 0.00 0.00 176.35 175.17 1khp s ASN 46 N 1.19 0.96 -0.00 3.68 -0.87 -1.26 -5.09 114.94 113.55 1khp s ASN 46 Ca 0.12 -0.76 -0.16 0.00 -1.57 0.00 0.00 52.86 50.48 1khp s ASN 46 Cb -0.14 0.07 -0.06 0.00 -0.02 0.00 0.00 41.25 41.10 1khp s ASN 46 CO 0.07 -0.33 0.46 -1.61 -2.57 0.00 0.00 177.10 173.11 1khp s GLU 47 N -2.64 4.05 0.33 -0.60 2.02 -1.26 -4.71 118.70 115.88 1khp s GLU 47 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.58 1khp s GLU 47 Cb -0.03 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 1khp s GLU 47 CO -0.02 0.60 -0.01 0.71 0.02 0.00 0.00 175.26 176.56 1khp s TYR 48 N -0.83 2.54 -0.44 1.61 2.02 -1.26 -1.80 117.35 119.19 1khp s TYR 48 Ca 0.25 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1khp s TYR 48 Cb -0.17 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1khp s TYR 48 CO 0.14 0.52 1.27 0.45 -1.57 0.00 0.00 175.55 176.36 1khp s SER 49 N -3.69 6.50 0.19 2.29 0.15 -0.72 -4.22 113.70 114.20 1khp s SER 49 Ca 0.34 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.63 1khp s SER 49 Cb -0.01 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 1khp s SER 49 CO 0.19 -1.32 1.52 -0.33 1.20 0.00 0.00 173.24 174.50 1khp h GLU 50 N 9.88 0.59 -0.98 5.44 3.07 -1.89 -3.20 114.58 127.49 1khp h GLU 50 Ca -0.25 -0.35 0.10 0.00 -0.50 0.00 0.00 59.36 58.36 1khp h GLU 50 Cb 1.08 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.95 1khp h GLU 50 CO 1.10 0.96 0.62 0.37 -1.40 0.00 0.00 179.01 180.67 1khp h GLN 51 N 0.47 0.98 -0.58 2.33 5.75 -1.85 -1.29 115.11 120.92 1khp h GLN 51 Ca 0.02 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1khp h GLN 51 Cb 1.04 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 1khp h GLN 51 CO 0.10 0.65 0.36 1.49 -2.65 0.00 0.00 178.83 178.77 1khp h GLU 52 N 1.01 0.78 -0.43 1.69 4.81 -1.79 -1.39 114.58 119.27 1khp h GLU 52 Ca 0.47 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1khp h GLU 52 Cb 0.41 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1khp h GLU 52 CO -0.23 0.55 0.04 -0.07 -0.73 0.00 0.00 179.01 178.57 1khp h LEU 53 N 0.79 0.71 -0.84 1.64 3.38 -1.49 -1.48 115.31 118.01 1khp h LEU 53 Ca 0.21 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1khp h LEU 53 Cb -0.04 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.44 1khp h LEU 53 CO -0.04 0.82 0.46 0.25 0.09 0.00 0.00 178.44 180.02 1khp h LEU 54 N 0.58 0.62 0.00 1.67 5.85 -0.84 -2.03 115.31 121.16 1khp h LEU 54 Ca 0.13 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1khp h LEU 54 Cb 0.43 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1khp h LEU 54 CO 0.01 0.32 -0.78 0.44 -0.34 0.00 0.00 178.44 178.09 1khp h ASP 55 N 0.73 0.00 0.00 1.25 3.32 -1.18 -3.39 116.42 117.15 1khp h ASP 55 Ca 0.43 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.38 1khp h ASP 55 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1khp h ASP 55 CO -0.30 0.33 -1.72 0.00 -1.72 0.00 0.00 179.24 175.83 1khp s ASP 57 N -3.97 6.24 0.23 0.00 -1.08 -0.78 -4.83 116.67 112.48 1khp s ASP 57 Ca -0.05 0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.37 1khp s ASP 57 Cb 0.07 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.91 1khp s ASP 57 CO 0.54 -1.65 1.71 -1.14 0.52 0.00 0.00 175.17 175.15 1khp n ARG 58 N 8.65 0.19 0.11 4.34 0.63 -1.26 -2.49 116.66 126.83 1khp n ARG 58 Ca 0.10 0.37 0.07 0.00 -0.92 0.00 0.00 57.85 57.47 1khp n ARG 58 Cb 0.49 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1khp n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1khp h ARG 59 N 0.00 0.00 -6.93 -0.14 3.08 -1.97 -3.47 114.38 104.95 1khp h ARG 59 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1khp h ARG 59 Cb 0.42 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.53 1khp h ARG 59 CO 0.00 0.16 0.01 -1.12 -1.07 0.00 0.00 179.97 177.96 1khp s SER 60 N -5.79 5.09 -0.34 7.04 0.01 -1.04 -4.88 113.70 113.79 1khp s SER 60 Ca 0.01 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.32 1khp s SER 60 Cb 0.08 -0.77 0.50 0.00 0.21 0.00 0.00 66.02 66.05 1khp s SER 60 CO 0.77 -1.30 1.51 -1.22 0.41 0.00 0.00 173.24 173.41 1khp n TYR 61 N -2.48 1.71 0.00 2.43 4.01 0.23 -4.97 117.16 118.10 1khp n TYR 61 Ca 0.09 -1.90 0.00 0.00 -0.16 0.00 0.00 57.90 55.94 1khp n TYR 61 Cb 0.60 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1khp n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1khp n GLY 62 N -1.04 3.63 0.13 2.72 0.00 -1.23 -0.75 105.19 108.66 1khp n GLY 62 Ca 0.40 0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.79 1khp n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khp n ASN 64 N -0.68 2.73 0.00 0.00 5.03 0.07 -0.59 115.26 121.82 1khp n ASN 64 Ca 0.22 -1.88 0.00 0.00 0.87 0.00 0.00 54.58 53.79 1khp n ASN 64 Cb 0.17 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1khp n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1khp n GLY 65 N 1.34 2.27 0.00 7.41 0.00 -1.12 -4.89 105.19 110.21 1khp n GLY 65 Ca 0.17 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1khp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khp n GLY 66 N -0.88 -1.03 3.01 -0.02 0.00 -1.26 0.76 105.19 105.76 1khp n GLY 66 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1khp n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khp s TYR 67 N -3.00 2.17 0.44 1.61 2.02 -1.26 -4.81 117.35 114.52 1khp s TYR 67 Ca 0.00 -1.25 0.11 0.00 -0.37 0.00 0.00 57.07 55.56 1khp s TYR 67 Cb 0.00 -1.58 0.98 0.00 -0.40 0.00 0.00 41.96 40.96 1khp s TYR 67 CO 0.00 -0.67 2.04 -1.35 -1.57 0.00 0.00 175.55 173.99 1khp h PRO 68 N 8.05 0.23 0.00 -1.71 0.11 -1.96 0.63 132.00 137.34 1khp h PRO 68 Ca -0.36 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1khp h PRO 68 Cb 1.13 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1khp h PRO 68 CO 0.51 0.23 -0.32 0.11 -0.21 0.00 0.00 178.00 178.32 1khp h TRP 69 N 0.23 0.00 -0.19 0.65 5.08 -1.94 -1.36 115.95 118.42 1khp h TRP 69 Ca 0.06 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.89 1khp h TRP 69 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 1khp h TRP 69 CO 0.00 0.32 -0.45 1.03 -1.28 0.00 0.00 178.44 178.06 1khp h SER 70 N 0.00 0.50 -0.17 0.11 0.87 -1.31 -2.39 113.55 111.17 1khp h SER 70 Ca -0.00 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1khp h SER 70 Cb 0.63 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1khp h SER 70 CO 0.04 0.89 -0.10 0.00 -0.53 0.00 0.00 176.83 177.13 1khp h ALA 71 N 1.13 0.24 -0.36 6.23 0.00 -1.08 -2.25 119.26 123.16 1khp h ALA 71 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1khp h ALA 71 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1khp h ALA 71 CO 0.08 0.07 0.24 -0.07 0.00 0.00 0.00 179.25 179.57 1khp h LEU 72 N 0.03 0.42 -1.76 0.00 3.38 -1.12 -0.57 115.31 115.68 1khp h LEU 72 Ca 0.03 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1khp h LEU 72 Cb 0.60 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1khp h LEU 72 CO 0.03 0.31 0.24 1.56 0.09 0.00 0.00 178.44 180.67 1khp h GLN 73 N 0.49 0.29 -0.38 1.13 4.20 -1.39 0.19 115.11 119.64 1khp h GLN 73 Ca 0.13 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1khp h GLN 73 Cb -0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1khp h GLN 73 CO -0.03 0.19 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.15 1khp h LEU 74 N 0.30 0.65 -0.76 1.46 3.38 -0.52 0.18 115.31 120.00 1khp h LEU 74 Ca 0.15 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1khp h LEU 74 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1khp h LEU 74 CO -0.03 0.79 -0.62 0.58 0.09 0.00 0.00 178.44 179.25 1khp h VAL 75 N 0.61 1.44 -0.06 1.22 2.07 0.00 0.17 116.25 121.70 1khp h VAL 75 Ca 0.11 -2.11 -0.09 0.00 0.82 0.00 0.00 66.70 65.42 1khp h VAL 75 Cb 0.54 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1khp h VAL 75 CO 0.03 0.60 -0.32 0.00 0.02 0.00 0.00 177.57 177.91 1khp h ALA 76 N 1.37 0.12 -0.32 1.67 0.00 -0.72 -2.81 119.26 118.58 1khp h ALA 76 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1khp h ALA 76 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1khp h ALA 76 CO 0.08 0.18 -0.10 1.96 0.00 0.00 0.00 179.25 181.37 1khp h GLN 77 N -0.18 0.63 0.00 0.00 1.08 -0.57 -3.42 115.11 112.64 1khp h GLN 77 Ca -0.02 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1khp h GLN 77 Cb 0.98 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1khp h GLN 77 CO 0.07 0.82 -0.10 0.66 -0.95 0.00 0.00 178.83 179.33 1khp n TYR 78 N -4.43 0.00 -1.37 2.96 4.01 0.04 -5.09 117.16 113.28 1khp n TYR 78 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1khp n TYR 78 Cb 0.35 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1khp n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1khp n GLY 79 N 2.88 0.28 3.41 2.72 0.00 -1.08 -4.83 105.19 108.57 1khp n GLY 79 Ca -0.01 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 1khp n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1khp s ILE 80 N -2.57 0.02 0.36 -0.61 2.07 -0.11 -4.39 121.20 115.98 1khp s ILE 80 Ca 0.00 -0.19 0.05 0.00 -1.41 0.00 0.00 60.65 59.10 1khp s ILE 80 Cb 0.00 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1khp s ILE 80 CO 0.00 -0.11 0.51 -1.00 -1.91 0.00 0.00 174.94 172.44 1khp s HIS 81 N -1.76 3.17 0.55 3.50 3.76 -1.26 -0.40 115.29 122.84 1khp s HIS 81 Ca -0.09 -0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.52 1khp s HIS 81 Cb -0.01 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 1khp s HIS 81 CO 0.04 -0.06 1.31 0.71 -0.85 0.00 0.00 174.74 175.89 1khp s TYR 82 N -2.25 2.33 0.28 1.40 2.02 -1.26 -1.75 117.35 118.11 1khp s TYR 82 Ca 0.45 1.42 -0.01 0.00 -0.37 0.00 0.00 57.07 58.56 1khp s TYR 82 Cb -0.10 -3.71 0.47 0.00 -0.40 0.00 0.00 41.96 38.22 1khp s TYR 82 CO 0.33 -2.69 1.87 -0.09 -1.57 0.00 0.00 175.55 173.40 1khp h ARG 83 N 1.35 1.07 -0.83 -0.62 2.43 -1.53 -1.10 114.38 115.15 1khp h ARG 83 Ca -0.51 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1khp h ARG 83 Cb 1.30 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 1khp h ARG 83 CO 0.57 0.71 0.55 -0.91 -1.51 0.00 0.00 179.97 179.38 1khp h ASN 84 N 1.11 0.91 1.33 -3.80 4.21 -1.92 -2.14 115.58 115.27 1khp h ASN 84 Ca 0.45 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.87 1khp h ASN 84 Cb 0.27 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1khp h ASN 84 CO -0.20 0.64 -0.70 0.71 -1.29 0.00 0.00 177.43 176.59 1khp h THR 85 N 1.06 0.41 -2.23 2.81 1.35 -1.62 -3.39 112.91 111.31 1khp h THR 85 Ca 0.32 -1.64 -0.58 0.00 -0.55 0.00 0.00 66.41 63.96 1khp h THR 85 Cb -0.02 2.05 -0.39 0.00 -1.73 0.00 0.00 68.15 68.05 1khp h THR 85 CO -0.09 0.23 -0.94 0.00 -0.25 0.00 0.00 175.52 174.47 1khp n TYR 86 N -3.01 0.43 -1.76 4.73 4.19 -0.65 -5.04 117.16 116.06 1khp n TYR 86 Ca -0.01 -3.65 -0.32 0.00 3.31 0.00 0.00 57.90 57.24 1khp n TYR 86 Cb 0.67 -0.24 0.03 0.00 0.49 0.00 0.00 39.34 40.30 1khp n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1khp s PRO 87 N -1.07 3.09 0.02 2.98 0.05 -0.84 -4.45 135.00 134.77 1khp s PRO 87 Ca 0.34 1.05 -0.30 0.00 0.05 0.00 0.00 61.00 62.14 1khp s PRO 87 Cb 0.11 -2.01 -0.05 0.00 0.05 0.00 0.00 34.50 32.61 1khp s PRO 87 CO -0.13 -0.98 1.19 -0.47 0.05 0.00 0.00 177.00 176.67 1khp s TYR 88 N -2.81 3.34 -0.04 0.56 5.04 -1.26 -4.72 117.35 117.46 1khp s TYR 88 Ca 0.60 1.28 0.15 0.00 -2.44 0.00 0.00 57.07 56.66 1khp s TYR 88 Cb -0.15 -3.41 -0.24 0.00 0.35 0.00 0.00 41.96 38.52 1khp s TYR 88 CO 0.48 -1.26 0.34 0.39 -1.34 0.00 0.00 175.55 174.16 1khp n GLU 89 N 4.41 0.51 -1.01 4.97 1.02 -1.26 -5.02 120.64 124.25 1khp n GLU 89 Ca 0.10 -0.14 -0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1khp n GLU 89 Cb 0.46 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1khp n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1khp n GLY 90 N 1.62 0.45 3.40 0.62 0.00 -1.26 -5.01 105.19 105.01 1khp n GLY 90 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 1khp n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1khp s VAL 91 N -2.00 0.03 0.16 1.61 -7.23 -1.26 -4.68 120.40 107.02 1khp s VAL 91 Ca 0.00 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 1khp s VAL 91 Cb 0.00 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 1khp s VAL 91 CO 0.00 -0.12 1.08 -1.58 -0.31 0.00 0.00 175.10 174.16 1khp s GLN 92 N -2.15 4.61 0.00 4.82 0.74 -1.26 -4.97 119.66 121.46 1khp s GLN 92 Ca -0.07 1.67 0.00 0.00 0.05 0.00 0.00 55.36 57.01 1khp s GLN 92 Cb -0.01 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1khp s GLN 92 CO 0.01 0.10 0.00 0.54 -0.55 0.00 0.00 175.29 175.38 1khp n ARG 93 N 2.47 2.19 -4.22 1.67 5.12 -1.26 -5.06 116.66 117.57 1khp n ARG 93 Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 1khp n ARG 93 Cb 0.47 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.71 1khp n ARG 93 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1khp s TYR 94 N 3.37 2.86 -0.06 -1.55 1.13 -1.26 -4.81 117.35 117.03 1khp s TYR 94 Ca 0.00 -0.18 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 1khp s TYR 94 Cb 0.00 -1.28 -0.05 0.00 -1.10 0.00 0.00 41.96 39.53 1khp s TYR 94 CO 0.00 0.58 1.53 0.00 -2.51 0.00 0.00 175.55 175.15 1khp n ARG 96 N 6.64 2.29 -0.24 0.00 1.74 -1.26 -4.70 116.66 121.12 1khp n ARG 96 Ca 0.16 -2.46 0.03 0.00 -0.77 0.00 0.00 57.85 54.81 1khp n ARG 96 Cb 0.43 -1.52 0.15 0.00 -1.02 0.00 0.00 32.46 30.50 1khp n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1khp h SER 97 N 0.87 0.28 -0.87 0.55 0.02 -1.95 -1.72 113.55 110.74 1khp h SER 97 Ca 0.00 0.09 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 1khp h SER 97 Cb 1.05 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.56 1khp h SER 97 CO 0.08 0.14 0.45 -0.09 -1.14 0.00 0.00 176.83 176.27 1khp h ARG 98 N 0.45 0.61 -0.69 3.45 1.12 -1.89 -0.19 114.38 117.23 1khp h ARG 98 Ca 0.37 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1khp h ARG 98 Cb 0.50 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1khp h ARG 98 CO -0.35 0.40 0.00 -0.85 -3.11 0.00 0.00 179.97 176.06 1khp n GLU 99 N -4.87 3.09 -0.00 0.20 0.28 -0.65 -3.73 120.64 114.95 1khp n GLU 99 Ca 0.18 -1.83 0.06 0.00 -0.16 0.00 0.00 57.16 55.41 1khp n GLU 99 Cb 0.46 -1.84 -0.08 0.00 1.43 0.00 0.00 31.44 31.40 1khp n GLU 99 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1khp n LYS 100 N 0.45 1.97 0.00 3.44 4.76 -0.08 -5.11 118.16 123.59 1khp n LYS 100 Ca 0.16 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1khp n LYS 100 Cb 0.73 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 1khp n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1khp n GLY 101 N 1.48 -1.80 3.68 0.72 0.00 -1.23 -4.97 105.19 103.06 1khp n GLY 101 Ca 0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1khp n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1khp n PRO 102 N 0.00 1.90 -1.83 1.61 -0.02 -1.26 -4.87 135.00 130.53 1khp n PRO 102 Ca 0.00 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 1khp n PRO 102 Cb 0.00 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.25 1khp n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1khp s TYR 103 N -1.15 2.23 -0.06 6.00 2.02 -1.26 -4.93 117.35 120.19 1khp s TYR 103 Ca 0.59 1.46 0.13 0.00 -0.37 0.00 0.00 57.07 58.88 1khp s TYR 103 Cb -0.55 -3.67 -0.13 0.00 -0.40 0.00 0.00 41.96 37.20 1khp s TYR 103 CO 0.60 -2.73 1.03 0.00 -1.57 0.00 0.00 175.55 172.88 1khp h ALA 104 N 0.93 0.62 -2.69 3.71 0.00 -1.06 -3.48 119.26 117.29 1khp h ALA 104 Ca -0.51 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 53.43 1khp h ALA 104 Cb 1.32 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 1khp h ALA 104 CO 0.55 1.08 -0.02 0.00 0.00 0.00 0.00 179.25 180.86 1khp s ALA 105 N -2.81 -1.10 -0.07 0.00 0.00 -1.00 -5.01 121.76 111.77 1khp s ALA 105 Ca -0.01 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1khp s ALA 105 Cb 0.09 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1khp s ALA 105 CO 0.80 -0.59 0.20 0.21 0.00 0.00 0.00 175.76 176.38 1khp s LYS 106 N -3.26 0.25 0.55 0.00 2.20 -1.26 -0.93 119.74 117.28 1khp s LYS 106 Ca -0.01 0.25 0.08 0.00 -0.36 0.00 0.00 55.97 55.94 1khp s LYS 106 Cb 0.01 0.12 0.06 0.00 -1.51 0.00 0.00 37.83 36.51 1khp s LYS 106 CO -0.08 -0.03 0.65 0.95 -0.36 0.00 0.00 175.35 176.47 1khp s THR 107 N 0.04 2.09 -0.06 3.43 -4.23 -1.11 -5.00 115.64 110.79 1khp s THR 107 Ca -0.01 -1.16 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1khp s THR 107 Cb -0.02 -2.25 -0.27 0.00 1.34 0.00 0.00 72.50 71.30 1khp s THR 107 CO 0.00 0.00 0.33 0.47 -0.54 0.00 0.00 174.62 174.89 1khp n ASP 108 N -2.04 0.74 -0.90 3.99 8.00 0.16 -4.41 116.55 122.08 1khp n ASP 108 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1khp n ASP 108 Cb 0.62 1.65 0.00 0.00 -0.02 0.00 0.00 41.12 43.37 1khp n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1khp n GLY 109 N 1.55 0.48 3.04 0.44 0.00 -0.88 -4.97 105.19 104.84 1khp n GLY 109 Ca -0.09 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1khp n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1khp s VAL 110 N -2.03 0.39 0.01 1.61 1.01 -1.26 -1.28 120.40 118.84 1khp s VAL 110 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1khp s VAL 110 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1khp s VAL 110 CO 0.00 -0.49 -0.01 -0.60 0.00 0.00 0.00 175.10 174.00 1khp s ARG 111 N -1.83 0.22 -0.04 2.72 3.52 -0.70 -4.92 118.95 117.91 1khp s ARG 111 Ca -0.10 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.11 1khp s ARG 111 Cb -0.08 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1khp s ARG 111 CO -0.01 -0.04 0.07 -1.14 -0.81 0.00 0.00 175.30 173.37 1khp s GLN 112 N -0.94 3.10 0.32 5.12 0.74 -1.26 -1.55 119.66 125.19 1khp s GLN 112 Ca -0.10 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 54.65 1khp s GLN 112 Cb -0.06 -2.89 -0.10 0.00 1.10 0.00 0.00 33.01 31.05 1khp s GLN 112 CO -0.00 0.68 0.90 0.08 -0.55 0.00 0.00 175.29 176.40 1khp s VAL 113 N -1.10 4.31 0.11 1.34 1.01 -0.48 -5.00 120.40 120.59 1khp s VAL 113 Ca 0.19 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.53 1khp s VAL 113 Cb -0.12 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1khp s VAL 113 CO 0.10 0.07 1.81 -1.58 0.00 0.00 0.00 175.10 175.50 1khp s GLN 114 N -2.24 4.15 0.66 2.72 0.74 -1.26 -4.64 119.66 119.80 1khp s GLN 114 Ca 0.51 2.56 -0.11 0.00 0.05 0.00 0.00 55.36 58.37 1khp s GLN 114 Cb -0.17 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 1khp s GLN 114 CO 0.21 -0.83 1.06 -2.14 -0.55 0.00 0.00 175.29 173.04 1khp s PRO 115 N 2.82 3.21 -1.44 1.67 0.02 -1.26 -4.04 135.00 135.98 1khp s PRO 115 Ca 0.80 0.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.37 1khp s PRO 115 Cb -0.45 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.07 1khp s PRO 115 CO 0.36 -0.83 1.09 0.66 -0.33 0.00 0.00 177.00 177.95 1khp n TYR 116 N -2.91 -2.62 -3.44 6.54 4.01 0.42 -4.96 117.16 114.20 1khp n TYR 116 Ca 0.06 0.97 -0.17 0.00 -0.16 0.00 0.00 57.90 58.60 1khp n TYR 116 Cb 0.55 -4.55 -0.11 0.00 -0.31 0.00 0.00 39.34 34.92 1khp n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1khp s ASN 117 N -3.31 1.29 0.14 7.72 3.84 -1.26 -4.85 114.94 118.52 1khp s ASN 117 Ca 0.63 -0.30 -0.17 0.00 0.21 0.00 0.00 52.86 53.23 1khp s ASN 117 Cb -0.30 0.53 -0.01 0.00 -0.55 0.00 0.00 41.25 40.93 1khp s ASN 117 CO 0.77 -0.34 1.79 -0.08 -2.79 0.00 0.00 177.10 176.45 1khp h GLU 118 N 8.28 0.48 -0.27 0.43 4.81 -1.91 -2.93 114.58 123.46 1khp h GLU 118 Ca -0.17 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1khp h GLU 118 Cb 1.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1khp h GLU 118 CO 0.30 0.34 0.12 0.78 -0.73 0.00 0.00 179.01 179.82 1khp h GLY 119 N 0.48 0.36 0.81 1.92 0.00 -1.98 -1.36 103.07 103.30 1khp h GLY 119 Ca 0.13 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1khp h GLY 119 CO -0.03 0.06 0.58 0.00 0.00 0.00 0.00 176.54 177.16 1khp h ALA 120 N 1.15 1.23 -0.33 3.60 0.00 -1.88 0.11 119.26 123.13 1khp h ALA 120 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1khp h ALA 120 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1khp h ALA 120 CO -0.09 0.40 -0.32 1.25 0.00 0.00 0.00 179.25 180.49 1khp h LEU 121 N 1.10 0.86 -0.50 0.00 5.85 -1.29 -2.26 115.31 119.07 1khp h LEU 121 Ca 0.38 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1khp h LEU 121 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1khp h LEU 121 CO -0.14 1.15 0.14 -0.07 -0.34 0.00 0.00 178.44 179.18 1khp h LEU 122 N 0.58 0.74 -0.98 2.25 3.38 -0.89 -0.51 115.31 119.88 1khp h LEU 122 Ca 0.05 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1khp h LEU 122 Cb 0.90 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1khp h LEU 122 CO 0.08 0.76 0.61 0.22 0.09 0.00 0.00 178.44 180.21 1khp h TYR 123 N 0.68 1.13 -0.02 1.13 3.20 -0.70 -1.71 116.97 120.67 1khp h TYR 123 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1khp h TYR 123 Cb 0.30 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1khp h TYR 123 CO 0.02 0.50 -0.01 0.77 -1.64 0.00 0.00 178.16 177.80 1khp h SER 124 N 1.04 0.04 -0.94 -2.11 0.02 -0.79 -2.99 113.55 107.82 1khp h SER 124 Ca 0.46 -0.45 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 1khp h SER 124 Cb 0.34 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1khp h SER 124 CO -0.23 0.48 0.60 0.40 -1.14 0.00 0.00 176.83 176.94 1khp h ILE 125 N -0.41 0.79 0.00 3.27 2.04 -0.97 0.25 117.51 122.47 1khp h ILE 125 Ca 0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1khp h ILE 125 Cb 0.46 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1khp h ILE 125 CO 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 178.15 178.24 1khp h ALA 126 N 1.60 1.34 0.00 1.87 0.00 -1.16 -2.60 119.26 120.31 1khp h ALA 126 Ca 0.49 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 55.06 1khp h ALA 126 Cb 0.82 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1khp h ALA 126 CO -0.25 0.05 -1.74 0.09 0.00 0.00 0.00 179.25 177.41 1khp n ASN 127 N -3.63 0.90 0.00 0.00 3.02 0.73 -5.06 115.26 111.22 1khp n ASN 127 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1khp n ASN 127 Cb 0.14 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1khp n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1khp n GLN 128 N -3.05 0.00 -1.83 3.52 10.64 -0.36 -5.08 117.38 121.21 1khp n GLN 128 Ca -0.18 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.59 1khp n GLN 128 Cb 1.05 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 30.44 1khp n GLN 128 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 1khp s PRO 129 N -2.00 3.92 0.05 2.61 0.02 -1.26 -3.91 135.00 134.43 1khp s PRO 129 Ca 0.00 2.46 0.06 0.00 0.02 0.00 0.00 61.00 63.54 1khp s PRO 129 Cb 0.00 -2.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 1khp s PRO 129 CO 0.00 -0.64 -0.17 0.08 -0.33 0.00 0.00 177.00 175.94 1khp s VAL 130 N -1.17 1.35 -0.05 3.83 1.01 -0.83 -4.74 120.40 119.81 1khp s VAL 130 Ca 0.56 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1khp s VAL 130 Cb -0.44 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1khp s VAL 130 CO 0.59 0.06 0.58 -0.55 0.00 0.00 0.00 175.10 175.78 1khp s SER 131 N -1.25 6.90 0.06 3.32 0.15 -0.39 0.55 113.70 123.04 1khp s SER 131 Ca 0.04 1.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.76 1khp s SER 131 Cb -0.08 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1khp s SER 131 CO 0.02 0.03 -0.04 0.68 1.20 0.00 0.00 173.24 175.13 1khp s VAL 132 N 0.23 0.34 0.28 4.45 -7.23 -0.74 -1.46 120.40 116.27 1khp s VAL 132 Ca 0.31 -1.69 0.11 0.00 -1.81 0.00 0.00 61.98 58.90 1khp s VAL 132 Cb -0.17 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1khp s VAL 132 CO 0.15 -0.87 -0.10 0.68 -0.31 0.00 0.00 175.10 174.65 1khp s VAL 133 N -3.40 2.87 0.22 1.32 -7.23 -1.21 -0.35 120.40 112.62 1khp s VAL 133 Ca 0.04 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 57.82 1khp s VAL 133 Cb 0.04 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1khp s VAL 133 CO -0.07 -0.36 0.79 -1.48 -0.31 0.00 0.00 175.10 173.67 1khp s LEU 134 N -3.60 -0.26 -0.40 1.32 0.05 -0.41 -4.05 118.68 111.33 1khp s LEU 134 Ca 0.31 -0.48 -0.25 0.00 0.05 0.00 0.00 54.13 53.77 1khp s LEU 134 Cb -0.05 2.51 0.02 0.00 -2.05 0.00 0.00 46.19 46.62 1khp s LEU 134 CO 0.17 -1.15 0.88 -0.70 -0.55 0.00 0.00 176.35 175.00 1khp s GLU 135 N -3.67 3.69 0.00 1.48 2.12 0.09 -1.47 118.70 120.94 1khp s GLU 135 Ca 0.10 0.33 0.12 0.00 0.36 0.00 0.00 54.97 55.89 1khp s GLU 135 Cb -0.04 -3.85 0.10 0.00 0.26 0.00 0.00 34.13 30.60 1khp s GLU 135 CO 0.03 -1.01 0.89 0.00 -0.54 0.00 0.00 175.26 174.63 1khp n ALA 136 N 6.78 2.49 0.23 6.30 0.00 -1.26 -4.69 120.51 130.36 1khp n ALA 136 Ca 0.05 -0.60 0.08 0.00 0.00 0.00 0.00 53.44 52.98 1khp n ALA 136 Cb 0.48 -0.42 0.57 0.00 0.00 0.00 0.00 19.45 20.08 1khp n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1khp h ALA 137 N 2.44 1.46 -2.57 0.00 0.00 -1.91 -3.39 119.26 115.30 1khp h ALA 137 Ca 0.00 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.25 1khp h ALA 137 Cb 0.52 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.31 1khp h ALA 137 CO 0.00 0.23 0.44 0.20 0.00 0.00 0.00 179.25 180.12 1khp s GLY 138 N -4.21 2.75 0.44 0.00 0.00 -1.26 -4.89 107.32 100.15 1khp s GLY 138 Ca -0.03 0.79 0.15 0.00 0.00 0.00 0.00 44.72 45.62 1khp s GLY 138 CO 0.65 1.23 1.98 0.50 0.00 0.00 0.00 173.10 177.46 1khp h LYS 139 N 2.35 0.37 -0.33 2.90 6.56 -1.93 -2.09 116.57 124.40 1khp h LYS 139 Ca -0.49 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.06 1khp h LYS 139 Cb 1.23 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.79 1khp h LYS 139 CO 0.62 0.24 0.11 -0.44 -2.06 0.00 0.00 179.45 177.92 1khp h ASP 140 N 0.38 0.47 -0.49 0.86 3.32 -1.92 0.20 116.42 119.25 1khp h ASP 140 Ca 0.27 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1khp h ASP 140 Cb 0.57 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1khp h ASP 140 CO -0.07 0.54 0.08 0.15 -1.72 0.00 0.00 179.24 178.22 1khp h PHE 141 N 0.37 0.86 0.00 4.55 3.57 -1.70 -1.31 116.94 123.29 1khp h PHE 141 Ca 0.11 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1khp h PHE 141 Cb 0.24 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1khp h PHE 141 CO 0.00 0.79 -0.49 1.96 -2.23 0.00 0.00 178.31 178.34 1khp h GLN 142 N 0.68 0.00 -0.02 1.11 4.20 -0.94 -2.14 115.11 118.00 1khp h GLN 142 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1khp h GLN 142 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1khp h GLN 142 CO 0.01 0.49 -0.03 1.28 -0.67 0.00 0.00 178.83 179.91 1khp n LEU 143 N -3.92 2.09 -4.51 1.46 4.77 0.67 -4.97 117.00 112.59 1khp n LEU 143 Ca -0.01 -0.69 -0.49 0.00 -0.03 0.00 0.00 56.01 54.78 1khp n LEU 143 Cb 0.51 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1khp n LEU 143 CO 0.40 0.35 0.43 0.00 -1.33 0.00 0.00 177.39 177.24 1khp n TYR 144 N 0.59 0.61 -0.94 -1.77 9.36 -0.50 -4.88 117.16 119.62 1khp n TYR 144 Ca 0.16 0.84 0.00 0.00 3.32 0.00 0.00 57.90 62.22 1khp n TYR 144 Cb 0.46 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 1khp n TYR 144 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1khp n ARG 145 N 1.28 0.25 0.00 2.98 3.00 -1.26 -2.69 116.66 120.22 1khp n ARG 145 Ca 0.16 -0.60 0.00 0.00 -0.01 0.00 0.00 57.85 57.40 1khp n ARG 145 Cb 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 32.46 32.15 1khp n ARG 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1khp n GLY 146 N -0.04 4.04 0.00 -0.13 0.00 -1.26 -4.63 105.19 103.17 1khp n GLY 146 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1khp n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khp n GLY 147 N -1.73 0.55 3.66 -0.02 0.00 -1.26 -4.87 105.19 101.52 1khp n GLY 147 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1khp n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1khp s ILE 148 N -1.44 4.72 -0.16 -0.61 1.01 -1.26 -4.36 121.20 119.10 1khp s ILE 148 Ca 0.00 1.97 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 1khp s ILE 148 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1khp s ILE 148 CO 0.00 -0.13 0.68 0.12 0.00 0.00 0.00 174.94 175.62 1khp s PHE 149 N 2.91 3.43 -1.23 3.97 5.36 0.10 -4.84 117.98 127.68 1khp s PHE 149 Ca 0.44 1.07 0.10 0.00 -0.96 0.00 0.00 56.93 57.58 1khp s PHE 149 Cb -0.16 -2.84 0.11 0.00 -0.34 0.00 0.00 43.02 39.80 1khp s PHE 149 CO 0.09 -0.12 0.89 1.33 -1.46 0.00 0.00 175.22 175.95 1khp n VAL 150 N 4.46 0.16 0.00 3.12 0.24 -1.26 -0.97 118.33 124.07 1khp n VAL 150 Ca -0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1khp n VAL 150 Cb 0.50 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 1khp n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1khp n GLY 151 N 0.56 -0.27 3.74 7.63 0.00 -1.26 -4.75 105.19 110.84 1khp n GLY 151 Ca 0.07 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1khp n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1khp s PRO 152 N 0.00 2.32 -0.22 1.61 0.02 -1.26 -4.96 135.00 132.52 1khp s PRO 152 Ca 0.00 1.63 -0.33 0.00 0.02 0.00 0.00 61.00 62.32 1khp s PRO 152 Cb 0.00 -1.87 0.16 0.00 0.02 0.00 0.00 34.50 32.81 1khp s PRO 152 CO 0.00 -1.67 1.23 0.00 -0.33 0.00 0.00 177.00 176.24 1khp n GLY 154 N 0.24 2.64 0.99 0.00 0.00 -1.26 -4.64 105.19 103.16 1khp n GLY 154 Ca -0.01 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.01 1khp n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1khp n ASN 155 N 0.00 2.80 -4.23 1.61 2.04 -1.26 -3.80 115.26 112.42 1khp n ASN 155 Ca 0.00 -3.53 -0.43 0.00 -0.44 0.00 0.00 54.58 50.17 1khp n ASN 155 Cb 0.00 -0.59 0.00 0.00 -2.53 0.00 0.00 39.78 36.66 1khp n ASN 155 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1khp n LYS 156 N -0.99 3.51 -1.69 -3.83 5.02 -1.26 -4.73 118.16 114.19 1khp n LYS 156 Ca 0.28 -3.79 -0.40 0.00 -2.02 0.00 0.00 58.31 52.38 1khp n LYS 156 Cb 0.96 -2.96 0.02 0.00 -0.02 0.00 0.00 35.03 33.03 1khp n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1khp n VAL 157 N 3.94 2.81 -1.95 -0.18 0.24 -1.26 -4.42 118.33 117.51 1khp n VAL 157 Ca 0.37 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1khp n VAL 157 Cb 0.40 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 1khp n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1khp n ASP 158 N -0.00 0.00 -3.70 -1.34 5.68 -0.54 -4.85 116.55 111.81 1khp n ASP 158 Ca 0.08 -1.07 -0.11 0.00 -0.50 0.00 0.00 54.79 53.20 1khp n ASP 158 Cb 0.41 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 40.26 1khp n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1khp s HIS 159 N 0.00 -0.58 -0.16 2.11 5.04 -0.71 -4.84 115.29 116.15 1khp s HIS 159 Ca 0.00 1.24 -0.07 0.00 -1.54 0.00 0.00 55.06 54.70 1khp s HIS 159 Cb 0.00 0.24 -0.04 0.00 0.04 0.00 0.00 32.58 32.82 1khp s HIS 159 CO 0.00 -0.34 0.07 0.00 -2.34 0.00 0.00 174.74 172.13 1khp s ALA 160 N 1.44 3.50 0.00 1.58 0.00 -1.26 -1.28 121.76 125.73 1khp s ALA 160 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1khp s ALA 160 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1khp s ALA 160 CO -0.12 0.31 0.00 1.33 0.00 0.00 0.00 175.76 177.28 1khp n VAL 161 N 3.06 0.00 -4.40 0.00 0.24 0.53 -4.57 118.33 113.20 1khp n VAL 161 Ca -0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.93 1khp n VAL 161 Cb 0.53 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.75 1khp n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1khp s ALA 162 N -1.86 0.80 -0.24 2.33 0.00 -0.94 -1.79 121.76 120.05 1khp s ALA 162 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1khp s ALA 162 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1khp s ALA 162 CO 0.00 0.19 0.41 0.00 0.00 0.00 0.00 175.76 176.36 1khp s ALA 163 N -0.16 3.57 -0.06 0.00 0.00 0.19 -0.24 121.76 125.06 1khp s ALA 163 Ca 0.03 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1khp s ALA 163 Cb -0.04 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1khp s ALA 163 CO -0.00 -0.52 0.99 1.33 0.00 0.00 0.00 175.76 177.56 1khp n VAL 164 N 4.79 0.96 -2.72 0.00 0.24 0.12 -1.97 118.33 119.75 1khp n VAL 164 Ca -0.07 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1khp n VAL 164 Cb 0.51 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1khp n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1khp n GLY 165 N -0.42 -1.50 3.82 7.63 0.00 -1.15 -0.67 105.19 112.89 1khp n GLY 165 Ca 0.01 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 1khp n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1khp s TYR 166 N -2.77 -0.14 0.00 1.61 -0.85 0.54 0.14 117.35 115.88 1khp s TYR 166 Ca 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 1khp s TYR 166 Cb 0.00 0.69 0.00 0.00 0.38 0.00 0.00 41.96 43.03 1khp s TYR 166 CO 0.00 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 173.34 1khp n GLY 167 N -0.48 3.47 0.37 5.49 0.00 -0.48 -1.15 105.19 112.41 1khp n GLY 167 Ca -0.05 -1.47 0.15 0.00 0.00 0.00 0.00 46.02 44.65 1khp n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1khp h PRO 168 N 0.00 0.31 0.00 1.61 0.11 -1.98 -3.15 132.00 128.90 1khp h PRO 168 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1khp h PRO 168 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1khp h PRO 168 CO 0.00 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.09 1khp n ASN 169 N -4.45 1.29 -3.99 -2.05 3.02 -1.26 -4.93 115.26 102.89 1khp n ASN 169 Ca 0.11 -1.49 -0.09 0.00 -0.03 0.00 0.00 54.58 53.08 1khp n ASN 169 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1khp n ASN 169 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1khp s TYR 170 N -0.49 0.38 -0.03 3.10 1.13 -1.19 -2.01 117.35 118.24 1khp s TYR 170 Ca 0.00 -0.73 0.07 0.00 -1.41 0.00 0.00 57.07 54.99 1khp s TYR 170 Cb 0.00 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1khp s TYR 170 CO 0.00 -0.95 -0.24 0.42 -2.51 0.00 0.00 175.55 172.27 1khp s ILE 171 N -4.01 1.93 -0.28 -3.49 1.01 0.11 -1.38 121.20 115.09 1khp s ILE 171 Ca 0.22 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1khp s ILE 171 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1khp s ILE 171 CO 0.08 0.54 0.36 -0.22 0.00 0.00 0.00 174.94 175.70 1khp s LEU 172 N -0.40 4.08 -0.07 2.97 2.96 0.12 -1.37 118.68 126.97 1khp s LEU 172 Ca 0.04 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1khp s LEU 172 Cb -0.11 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 1khp s LEU 172 CO 0.01 -0.20 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.99 1khp s ILE 173 N 2.05 1.83 -0.27 6.68 1.09 -0.39 0.15 121.20 132.34 1khp s ILE 173 Ca 0.14 -0.91 -0.12 0.00 -1.10 0.00 0.00 60.65 58.66 1khp s ILE 173 Cb -0.16 -1.57 -0.05 0.00 -1.06 0.00 0.00 42.46 39.62 1khp s ILE 173 CO 0.10 0.51 0.24 -0.75 -0.10 0.00 0.00 174.94 174.94 1khp s LYS 174 N 0.14 3.99 0.57 2.79 2.20 0.66 -1.20 119.74 128.90 1khp s LYS 174 Ca -0.10 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1khp s LYS 174 Cb -0.15 -3.64 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1khp s LYS 174 CO 0.05 -0.17 0.79 1.21 -0.36 0.00 0.00 175.35 176.88 1khp s ASN 175 N 1.62 5.08 -0.21 1.43 2.47 -1.00 -2.22 114.94 122.11 1khp s ASN 175 Ca 0.09 -0.35 0.12 0.00 0.42 0.00 0.00 52.86 53.14 1khp s ASN 175 Cb -0.16 -0.38 0.43 0.00 -1.45 0.00 0.00 41.25 39.70 1khp s ASN 175 CO 0.10 -1.29 1.20 -1.54 -3.72 0.00 0.00 177.10 171.85 1khp n SER 176 N -2.35 2.39 -1.59 -4.21 3.41 -1.26 -4.57 113.62 105.43 1khp n SER 176 Ca 0.11 -3.58 0.03 0.00 -0.26 0.00 0.00 58.87 55.17 1khp n SER 176 Cb 0.60 -0.46 0.32 0.00 -0.26 0.00 0.00 64.21 64.42 1khp n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1khp n TRP 177 N -0.82 1.81 0.00 7.33 8.01 -1.22 -1.05 117.44 131.49 1khp n TRP 177 Ca 0.23 -0.97 0.00 0.00 -1.31 0.00 0.00 57.50 55.45 1khp n TRP 177 Cb 0.81 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 29.60 1khp n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1khp n GLY 178 N -0.05 -1.35 0.07 6.99 0.00 -0.56 -4.47 105.19 105.82 1khp n GLY 178 Ca 0.30 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1khp n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1khp n THR 179 N -1.29 0.38 1.64 2.61 -2.24 -1.26 -3.54 114.28 110.58 1khp n THR 179 Ca 0.00 -0.21 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1khp n THR 179 Cb 0.00 -0.37 0.80 0.00 -2.10 0.00 0.00 70.33 68.66 1khp n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khp n GLY 180 N 1.37 -0.98 3.77 3.38 0.00 -1.26 -3.32 105.19 108.15 1khp n GLY 180 Ca 0.05 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1khp n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1khp s TRP 181 N -2.17 3.29 0.00 1.61 -0.00 -1.23 -4.98 118.94 115.47 1khp s TRP 181 Ca 0.38 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.72 1khp s TRP 181 Cb 0.19 -1.77 0.00 0.00 -0.00 0.00 0.00 33.47 31.89 1khp s TRP 181 CO 0.36 0.56 0.00 0.41 -0.00 0.00 0.00 176.95 178.27 1khp n GLY 182 N 1.48 1.82 3.48 5.86 0.00 -1.09 0.28 105.19 117.00 1khp n GLY 182 Ca -0.15 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1khp n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1khp s GLU 183 N 0.00 3.86 -1.62 1.61 2.02 0.56 -4.26 118.70 120.87 1khp s GLU 183 Ca 0.00 -2.12 -0.17 0.00 0.02 0.00 0.00 54.97 52.70 1khp s GLU 183 Cb 0.00 -5.07 0.14 0.00 0.10 0.00 0.00 34.13 29.30 1khp s GLU 183 CO 0.00 -1.84 0.78 0.09 0.02 0.00 0.00 175.26 174.31 1khp n ASN 184 N 6.45 -3.59 0.00 -0.19 3.02 -1.25 -1.30 115.26 118.40 1khp n ASN 184 Ca 0.33 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1khp n ASN 184 Cb 0.46 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 1khp n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1khp n GLY 185 N -1.40 0.07 3.82 7.41 0.00 0.14 -4.64 105.19 110.60 1khp n GLY 185 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1khp n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khp s TYR 186 N -2.00 3.01 -0.00 1.61 1.51 -0.42 -2.37 117.35 118.68 1khp s TYR 186 Ca 0.00 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1khp s TYR 186 Cb 0.00 -1.53 -0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1khp s TYR 186 CO 0.00 0.41 -0.03 -1.50 -1.11 0.00 0.00 175.55 173.31 1khp s ILE 187 N -2.21 0.26 -0.40 2.71 2.07 -0.34 -0.32 121.20 122.97 1khp s ILE 187 Ca 0.36 -0.12 -0.15 0.00 -1.41 0.00 0.00 60.65 59.33 1khp s ILE 187 Cb -0.07 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.30 1khp s ILE 187 CO 0.25 0.08 0.29 -0.13 -1.91 0.00 0.00 174.94 173.52 1khp s ARG 188 N 0.01 3.07 -0.14 3.50 0.52 -1.26 -1.26 118.95 123.39 1khp s ARG 188 Ca 0.00 -0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 54.18 1khp s ARG 188 Cb -0.02 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1khp s ARG 188 CO -0.00 -0.69 0.17 0.42 0.02 0.00 0.00 175.30 175.21 1khp s ILE 189 N 1.69 5.43 0.37 1.52 1.01 -0.47 0.00 121.20 130.75 1khp s ILE 189 Ca 0.05 0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 1khp s ILE 189 Cb -0.19 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 1khp s ILE 189 CO 0.10 0.54 1.48 -0.75 0.00 0.00 0.00 174.94 176.31 1khp s LYS 190 N -0.45 4.13 0.31 2.79 2.47 -0.15 0.09 119.74 128.93 1khp s LYS 190 Ca 0.13 2.55 0.03 0.00 -1.56 0.00 0.00 55.97 57.12 1khp s LYS 190 Cb -0.12 -2.98 -0.06 0.00 -1.46 0.00 0.00 37.83 33.21 1khp s LYS 190 CO 0.03 -0.51 0.07 -0.98 0.16 0.00 0.00 175.35 174.11 1khp s ARG 191 N -2.00 1.59 -0.05 4.03 1.70 -0.85 -4.52 118.95 118.84 1khp s ARG 191 Ca 0.53 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 53.91 1khp s ARG 191 Cb -0.46 -0.68 0.00 0.00 -0.57 0.00 0.00 34.95 33.24 1khp s ARG 191 CO 0.62 -0.23 0.00 0.41 -1.08 0.00 0.00 175.30 175.02 1khp n GLY 192 N -0.63 0.47 0.01 3.88 0.00 -1.26 -4.76 105.19 102.91 1khp n GLY 192 Ca -0.02 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1khp n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1khp n THR 193 N -2.94 0.10 -0.81 2.61 -2.24 -1.26 -4.92 114.28 104.82 1khp n THR 193 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1khp n THR 193 Cb 0.04 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1khp n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khp n GLY 194 N 1.43 0.87 3.63 3.38 0.00 -1.26 -5.03 105.19 108.22 1khp n GLY 194 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1khp n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1khp s ASN 195 N -2.90 6.76 0.56 1.61 2.47 -1.26 -4.95 114.94 117.22 1khp s ASN 195 Ca 0.00 0.91 0.31 0.00 0.42 0.00 0.00 52.86 54.49 1khp s ASN 195 Cb 0.00 -2.42 1.65 0.00 -1.45 0.00 0.00 41.25 39.03 1khp s ASN 195 CO 0.00 -0.52 2.14 0.77 -3.72 0.00 0.00 177.10 175.77 1khp h SER 196 N 7.81 0.00 0.52 -4.21 4.64 -1.96 0.21 113.55 120.57 1khp h SER 196 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1khp h SER 196 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1khp h SER 196 CO 0.86 0.07 -0.17 1.88 -0.87 0.00 0.00 176.83 178.60 1khp h TYR 197 N 0.00 0.00 0.00 4.77 0.05 -1.92 -3.39 116.97 116.48 1khp h TYR 197 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1khp h TYR 197 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1khp h TYR 197 CO 0.00 0.17 0.00 0.41 -1.05 0.00 0.00 178.16 177.69 1khp n GLY 198 N -0.43 -2.30 3.72 3.88 0.00 0.06 -1.54 105.19 108.59 1khp n GLY 198 Ca -0.01 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1khp n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1khp s VAL 199 N -3.36 2.49 -2.16 1.61 1.01 -1.26 -1.77 120.40 116.94 1khp s VAL 199 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1khp s VAL 199 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1khp s VAL 199 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.13 1khp n GLY 201 N -0.47 0.59 0.34 0.00 0.00 -0.73 -0.73 105.19 104.19 1khp n GLY 201 Ca -0.21 -0.69 0.18 0.00 0.00 0.00 0.00 46.02 45.30 1khp n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1khp h LEU 202 N 0.00 0.00 -3.57 0.99 5.85 -1.29 -2.25 115.31 115.04 1khp h LEU 202 Ca -0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1khp h LEU 202 Cb 0.70 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1khp h LEU 202 CO 0.20 0.00 0.03 -1.22 -0.34 0.00 0.00 178.44 177.11 1khp n TYR 203 N -3.47 2.04 -0.03 1.25 4.01 -0.59 -4.56 117.16 115.83 1khp n TYR 203 Ca 0.01 -0.79 -0.15 0.00 -0.16 0.00 0.00 57.90 56.80 1khp n TYR 203 Cb 0.34 -0.52 -0.12 0.00 -0.31 0.00 0.00 39.34 38.73 1khp n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1khp h THR 204 N 3.69 1.57 -1.85 -0.72 2.02 -1.58 0.12 112.91 116.16 1khp h THR 204 Ca 0.03 -2.01 -0.25 0.00 0.77 0.00 0.00 66.41 64.94 1khp h THR 204 Cb 1.98 2.85 -0.30 0.00 -1.74 0.00 0.00 68.15 70.95 1khp h THR 204 CO 0.50 0.55 -0.59 -0.55 0.37 0.00 0.00 175.52 175.80 1khp s SER 205 N -6.33 0.83 -0.06 4.18 0.15 -1.26 -4.71 113.70 106.49 1khp s SER 205 Ca -0.16 -0.71 0.05 0.00 0.70 0.00 0.00 55.95 55.84 1khp s SER 205 Cb 0.00 0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 65.18 1khp s SER 205 CO 0.74 -0.34 -0.23 -0.44 1.20 0.00 0.00 173.24 174.17 1khp s SER 206 N 2.29 2.84 0.06 5.45 0.01 -1.26 -3.36 113.70 119.72 1khp s SER 206 Ca 0.11 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.92 1khp s SER 206 Cb -0.13 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 1khp s SER 206 CO -0.26 0.21 -0.09 -0.36 0.41 0.00 0.00 173.24 173.15 1khp s PHE 207 N -0.04 0.81 -0.00 2.43 0.40 -0.53 -1.39 117.98 119.66 1khp s PHE 207 Ca -0.06 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1khp s PHE 207 Cb -0.14 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 42.92 1khp s PHE 207 CO 0.04 -0.07 0.12 1.52 0.70 0.00 0.00 175.22 177.53 1khp s TYR 208 N -1.86 0.03 0.38 0.36 1.13 -0.60 -1.26 117.35 115.53 1khp s TYR 208 Ca -0.04 -0.09 -0.16 0.00 -1.41 0.00 0.00 57.07 55.37 1khp s TYR 208 Cb -0.07 -0.05 -0.09 0.00 -1.10 0.00 0.00 41.96 40.66 1khp s TYR 208 CO -0.00 -0.24 0.82 -1.25 -2.51 0.00 0.00 175.55 172.37 1khp s PRO 209 N -1.15 4.03 -0.12 -3.49 0.04 -1.26 -1.72 135.00 131.33 1khp s PRO 209 Ca -0.12 0.78 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1khp s PRO 209 Cb -0.07 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1khp s PRO 209 CO 0.01 0.04 -0.14 0.08 0.04 0.00 0.00 177.00 177.03 1khp s VAL 210 N -2.15 2.94 -0.03 -0.36 1.01 -0.40 -4.92 120.40 116.49 1khp s VAL 210 Ca 0.56 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1khp s VAL 210 Cb -0.10 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1khp s VAL 210 CO 0.19 0.54 0.05 -0.75 0.00 0.00 0.00 175.10 175.12 1khp s LYS 211 N 0.23 -0.03 0.00 2.72 2.20 -1.26 0.37 119.74 123.97 1khp s LYS 211 Ca -0.10 0.23 0.29 0.00 -0.36 0.00 0.00 55.97 56.03 1khp s LYS 211 Cb -0.16 -0.27 1.29 0.00 -1.51 0.00 0.00 37.83 37.19 1khp s LYS 211 CO 0.06 -0.18 1.88 0.09 -0.36 0.00 0.00 175.35 176.83