#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khn h LEU 8 N 0.00 0.55 -0.33 6.15 3.38 -2.05 0.06 115.31 123.06 3khn h LEU 8 Ca 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3khn h LEU 8 Cb 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3khn h LEU 8 CO 0.00 0.40 -0.45 -0.61 0.09 0.00 0.00 178.44 177.87 3khn h GLN 9 N 0.65 0.90 -0.27 1.13 -0.00 -2.05 0.11 115.11 115.57 3khn h GLN 9 Ca 0.18 -0.52 -0.12 0.00 -0.00 0.00 0.00 58.65 58.19 3khn h GLN 9 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 3khn h GLN 9 CO -0.04 1.16 -0.34 -0.09 0.00 0.00 0.00 178.83 179.52 3khn h ARG 10 N 0.70 0.60 -0.67 1.69 2.43 -1.85 -2.46 114.38 114.82 3khn h ARG 10 Ca 0.04 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 3khn h ARG 10 Cb 1.05 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3khn h ARG 10 CO 0.11 0.86 0.29 0.93 -1.51 0.00 0.00 179.97 180.65 3khn h GLU 11 N 0.51 0.99 -0.48 0.20 5.08 -0.60 -1.96 114.58 118.32 3khn h GLU 11 Ca 0.05 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3khn h GLU 11 Cb 0.84 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3khn h GLU 11 CO 0.07 0.81 0.22 1.25 -1.00 0.00 0.00 179.01 180.36 3khn h LEU 12 N 0.94 0.31 -0.30 1.33 6.46 -0.69 -0.51 115.31 122.85 3khn h LEU 12 Ca 0.23 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3khn h LEU 12 Cb 0.17 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3khn h LEU 12 CO -0.02 0.22 -0.04 0.40 -0.62 0.00 0.00 178.44 178.38 3khn h ILE 13 N 0.44 1.27 -0.44 4.05 2.04 -1.27 0.32 117.51 123.93 3khn h ILE 13 Ca 0.21 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.07 3khn h ILE 13 Cb 0.14 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3khn h ILE 13 CO -0.16 0.33 0.25 -0.08 0.00 0.00 0.00 178.15 178.48 3khn h GLU 14 N 0.34 0.48 -0.20 2.37 4.57 -1.18 0.21 114.58 121.17 3khn h GLU 14 Ca 0.08 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3khn h GLU 14 Cb 0.50 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3khn h GLU 14 CO 0.02 0.32 0.05 0.00 -1.18 0.00 0.00 179.01 178.22 3khn h ALA 15 N 1.20 0.26 -0.74 2.92 0.00 -0.72 -2.39 119.26 119.80 3khn h ALA 15 Ca 0.18 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3khn h ALA 15 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3khn h ALA 15 CO -0.09 -0.09 0.48 1.96 0.00 0.00 0.00 179.25 181.51 3khn h GLN 16 N 0.14 0.80 -0.10 0.00 1.08 -0.20 -2.10 115.11 114.73 3khn h GLN 16 Ca 0.06 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3khn h GLN 16 Cb 0.27 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3khn h GLN 16 CO 0.00 0.53 0.06 -0.09 -0.95 0.00 0.00 178.83 178.38 3khn h ARG 17 N 0.82 0.13 -0.55 1.46 2.43 -0.19 0.28 114.38 118.77 3khn h ARG 17 Ca 0.31 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3khn h ARG 17 Cb 0.18 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3khn h ARG 17 CO -0.10 0.12 0.05 1.96 -1.51 0.00 0.00 179.97 180.49 3khn h GLN 18 N 0.10 0.93 -0.51 0.20 4.20 -1.26 -1.72 115.11 117.05 3khn h GLN 18 Ca 0.03 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3khn h GLN 18 Cb 0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3khn h GLN 18 CO -0.01 0.92 0.27 1.15 -0.67 0.00 0.00 178.83 180.49 3khn h THR 19 N 0.82 1.18 -0.11 -0.54 2.02 -1.10 -2.04 112.91 113.14 3khn h THR 19 Ca 0.16 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3khn h THR 19 Cb 0.46 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3khn h THR 19 CO 0.02 0.20 -0.22 0.22 0.37 0.00 0.00 175.52 176.11 3khn h TYR 20 N 0.68 -0.58 -0.97 3.16 3.20 -0.28 -2.03 116.97 120.15 3khn h TYR 20 Ca 0.18 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3khn h TYR 20 Cb 0.07 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 3khn h TYR 20 CO -0.01 -0.30 0.64 -0.91 -1.64 0.00 0.00 178.16 175.94 3khn h ASN 21 N -0.29 1.11 0.00 -2.11 2.35 -1.10 -1.31 115.58 114.23 3khn h ASN 21 Ca 0.09 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3khn h ASN 21 Cb 0.43 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3khn h ASN 21 CO -0.27 0.80 0.00 -0.62 -1.65 0.00 0.00 177.43 175.69 3khn n GLU 22 N -4.39 0.35 0.00 0.81 1.02 -0.76 -1.94 120.64 115.72 3khn n GLU 22 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3khn n GLU 22 Cb 0.02 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3khn n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3khn n ARG 24 N 0.88 0.00 -0.13 3.49 1.74 -0.50 -0.98 116.66 121.17 3khn n ARG 24 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3khn n ARG 24 Cb 0.17 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.61 3khn n ARG 24 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3khn h THR 25 N 0.00 1.15 -0.43 0.55 2.02 -1.66 -1.90 112.91 112.64 3khn h THR 25 Ca 0.00 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 66.86 3khn h THR 25 Cb 0.00 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 3khn h THR 25 CO 0.00 0.16 0.06 0.22 0.37 0.00 0.00 175.52 176.33 3khn h TYR 26 N 0.51 0.10 -0.55 3.16 3.20 -1.31 -0.43 116.97 121.65 3khn h TYR 26 Ca 0.14 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3khn h TYR 26 Cb 0.06 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3khn h TYR 26 CO -0.02 -0.02 0.09 0.74 -1.64 0.00 0.00 178.16 177.31 3khn h PHE 27 N 0.19 0.96 0.78 -3.82 0.04 -1.77 -2.60 116.94 110.72 3khn h PHE 27 Ca 0.21 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 3khn h PHE 27 Cb 0.27 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3khn h PHE 27 CO -0.23 0.85 -0.42 1.15 -0.60 0.00 0.00 178.31 179.07 3khn h THR 28 N 0.80 0.00 0.00 -1.55 2.02 -0.98 -1.27 112.91 111.93 3khn h THR 28 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3khn h THR 28 Cb 0.41 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3khn h THR 28 CO 0.01 0.00 -0.07 1.62 0.37 0.00 0.00 175.52 177.45 3khn h VAL 29 N -1.11 0.89 -0.39 3.16 3.04 -1.11 -0.07 116.25 120.66 3khn h VAL 29 Ca -0.11 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3khn h VAL 29 Cb 0.87 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3khn h VAL 29 CO 0.15 0.07 0.00 0.59 -1.01 0.00 0.00 177.57 177.37 3khn n ASN 30 N -4.22 2.50 -1.07 3.17 3.02 -0.98 -4.94 115.26 112.74 3khn n ASN 30 Ca -0.03 -2.11 -0.10 0.00 -0.03 0.00 0.00 54.58 52.31 3khn n ASN 30 Cb 0.15 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3khn n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khn n GLY 31 N 0.99 0.29 0.00 7.41 0.00 -0.04 -4.90 105.19 108.94 3khn n GLY 31 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3khn n GLY 31 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3khn n VAL 32 N -3.64 0.47 -0.31 1.61 0.24 -0.52 -4.69 118.33 111.49 3khn n VAL 32 Ca -0.12 -0.65 0.15 0.00 -2.04 0.00 0.00 64.34 61.68 3khn n VAL 32 Cb 0.52 0.84 0.40 0.00 -1.47 0.00 0.00 33.84 34.13 3khn n VAL 32 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3khn h GLU 33 N 0.00 0.61 -0.25 7.34 4.81 -1.75 0.14 114.58 125.48 3khn h GLU 33 Ca 0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3khn h GLU 33 Cb 0.37 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3khn h GLU 33 CO 0.00 0.40 0.17 0.78 -0.73 0.00 0.00 179.01 179.63 3khn h GLY 34 N 0.63 0.16 -0.44 1.92 0.00 -1.91 -3.22 103.07 100.22 3khn h GLY 34 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3khn h GLY 34 CO -0.29 0.05 -0.09 3.33 0.00 0.00 0.00 176.54 179.53 3khn n VAL 35 N -4.49 0.00 -3.81 4.60 0.24 -0.42 -4.87 118.33 109.59 3khn n VAL 35 Ca 0.02 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.34 61.57 3khn n VAL 35 Cb 0.23 1.11 -0.16 0.00 -1.47 0.00 0.00 33.84 33.55 3khn n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3khn s ILE 36 N -0.92 1.05 0.01 1.34 1.01 -0.10 -4.18 121.20 119.40 3khn s ILE 36 Ca 0.07 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.36 3khn s ILE 36 Cb 0.06 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 3khn s ILE 36 CO 0.15 -0.39 0.51 -0.83 0.00 0.00 0.00 174.94 174.38 3khn s GLY 37 N 1.57 2.56 -0.11 6.18 0.00 -0.32 -4.64 107.32 112.56 3khn s GLY 37 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 44.72 44.67 3khn s GLY 37 CO -0.14 0.46 -0.09 0.00 0.00 0.00 0.00 173.10 173.33 3khn s ALA 38 N -0.68 1.38 0.10 3.20 0.00 -1.26 0.11 121.76 124.60 3khn s ALA 38 Ca 0.27 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.74 3khn s ALA 38 Cb -0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3khn s ALA 38 CO 0.16 -0.36 -0.19 0.08 0.00 0.00 0.00 175.76 175.44 3khn s VAL 39 N 1.59 2.77 -0.17 0.00 1.01 0.14 -4.97 120.40 120.77 3khn s VAL 39 Ca 0.03 -1.43 -0.00 0.00 0.00 0.00 0.00 61.98 60.57 3khn s VAL 39 Cb -0.13 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3khn s VAL 39 CO -0.07 0.17 -0.14 0.12 0.00 0.00 0.00 175.10 175.18 3khn s PHE 40 N -1.07 2.82 -0.22 5.22 5.36 -1.26 -0.75 117.98 128.07 3khn s PHE 40 Ca 0.17 -1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.02 3khn s PHE 40 Cb -0.10 -1.93 0.07 0.00 -0.34 0.00 0.00 43.02 40.72 3khn s PHE 40 CO 0.08 -0.51 0.09 0.34 -1.46 0.00 0.00 175.22 173.76 3khn s ASP 41 N 0.96 2.95 -1.55 6.13 2.15 0.14 -4.89 116.67 122.55 3khn s ASP 41 Ca -0.02 -0.94 -0.12 0.00 0.43 0.00 0.00 52.55 51.91 3khn s ASP 41 Cb -0.15 -0.40 0.09 0.00 -0.30 0.00 0.00 42.92 42.16 3khn s ASP 41 CO -0.02 -0.37 0.78 -0.62 -0.17 0.00 0.00 175.17 174.77 3khn n GLU 42 N 5.19 -4.21 -0.10 4.34 -0.58 -1.26 -0.62 120.64 123.39 3khn n GLU 42 Ca -0.07 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3khn n GLU 42 Cb 0.46 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 26.19 3khn n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3khn n GLY 43 N -1.63 1.52 3.67 0.62 0.00 -1.26 -4.93 105.19 103.17 3khn n GLY 43 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3khn n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khn s VAL 44 N -2.66 5.13 -0.24 1.61 1.01 0.20 -4.63 120.40 120.83 3khn s VAL 44 Ca 0.00 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 3khn s VAL 44 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3khn s VAL 44 CO 0.00 0.21 0.07 -0.63 0.00 0.00 0.00 175.10 174.75 3khn s ILE 45 N 1.47 4.39 -0.21 2.22 1.01 -0.43 0.23 121.20 129.87 3khn s ILE 45 Ca 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 3khn s ILE 45 Cb -0.15 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3khn s ILE 45 CO 0.09 0.36 -0.04 -0.89 0.00 0.00 0.00 174.94 174.46 3khn s THR 46 N 1.41 3.47 -0.18 2.92 2.01 0.07 0.35 115.64 125.69 3khn s THR 46 Ca 0.05 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 3khn s THR 46 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 3khn s THR 46 CO 0.04 0.43 0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 3khn s LEU 47 N 1.32 4.25 -0.11 4.42 1.43 -0.26 -0.69 118.68 129.04 3khn s LEU 47 Ca 0.04 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3khn s LEU 47 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3khn s LEU 47 CO -0.02 0.25 -0.22 -0.13 0.23 0.00 0.00 176.35 176.46 3khn s ARG 48 N -0.05 3.07 -0.10 1.70 0.52 0.12 -0.81 118.95 123.40 3khn s ARG 48 Ca 0.10 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 3khn s ARG 48 Cb -0.11 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 33.00 3khn s ARG 48 CO -0.00 0.13 -0.16 0.08 0.02 0.00 0.00 175.30 175.37 3khn s VAL 49 N 0.47 1.54 0.20 3.52 1.01 0.05 -1.17 120.40 126.02 3khn s VAL 49 Ca -0.15 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 60.83 3khn s VAL 49 Cb -0.17 -1.39 -0.13 0.00 0.00 0.00 0.00 36.38 34.69 3khn s VAL 49 CO 0.06 0.45 1.59 -2.65 0.00 0.00 0.00 175.10 174.55 3khn n PRO 50 N 4.08 2.38 0.10 2.72 -0.02 -1.26 -0.52 135.00 142.48 3khn n PRO 50 Ca -0.20 0.86 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 3khn n PRO 50 Cb 0.51 -2.63 0.68 0.00 -0.02 0.00 0.00 33.50 32.05 3khn n PRO 50 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3khn h SER 51 N 5.73 0.00 0.54 2.55 0.02 -1.49 -2.31 113.55 118.59 3khn h SER 51 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3khn h SER 51 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3khn h SER 51 CO 0.87 0.00 -0.07 1.05 -1.14 0.00 0.00 176.83 177.54 3khn h GLU 52 N 0.00 0.00 0.00 3.45 4.11 -1.80 0.19 114.58 120.53 3khn h GLU 52 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3khn h GLU 52 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3khn h GLU 52 CO -0.00 0.07 -0.59 1.33 0.07 0.00 0.00 179.01 179.89 3khn n VAL 53 N -3.34 0.27 -0.10 -1.06 0.24 -0.87 -4.19 118.33 109.27 3khn n VAL 53 Ca -0.01 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 3khn n VAL 53 Cb 0.24 -0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.40 3khn n VAL 53 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3khn n LEU 54 N -1.97 0.50 -3.90 1.34 4.77 -0.15 -3.20 117.00 114.39 3khn n LEU 54 Ca 0.04 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3khn n LEU 54 Cb 0.42 0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 3khn n LEU 54 CO 0.36 0.57 -0.37 -0.36 -1.33 0.00 0.00 177.39 176.25 3khn s PHE 55 N -2.49 0.17 0.62 -1.77 0.08 0.48 -0.58 117.98 114.48 3khn s PHE 55 Ca -0.14 -0.05 -0.18 0.00 0.12 0.00 0.00 56.93 56.68 3khn s PHE 55 Cb 0.06 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.38 3khn s PHE 55 CO 0.78 -0.01 1.23 0.00 -0.10 0.00 0.00 175.22 177.12 3khn s ALA 56 N -0.09 2.47 0.12 5.36 0.00 -1.26 -4.38 121.76 123.98 3khn s ALA 56 Ca 0.00 1.04 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 3khn s ALA 56 Cb -0.01 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 3khn s ALA 56 CO -0.00 -1.32 1.60 -2.30 0.00 0.00 0.00 175.76 173.74 3khn n PRO 57 N -1.76 2.07 0.00 0.00 -0.02 -1.26 -0.30 135.00 133.73 3khn n PRO 57 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3khn n PRO 57 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3khn n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khn n GLY 58 N 3.48 2.93 3.86 -1.23 0.00 -1.26 -5.01 105.19 107.96 3khn n GLY 58 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3khn n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khn s ALA 59 N -1.73 3.30 -0.59 4.61 0.00 0.59 -4.99 121.76 122.94 3khn s ALA 59 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 51.96 52.01 3khn s ALA 59 Cb 0.00 -2.78 -0.16 0.00 0.00 0.00 0.00 23.12 20.19 3khn s ALA 59 CO 0.00 0.04 0.56 1.33 0.00 0.00 0.00 175.76 177.69 3khn n VAL 60 N -1.11 0.00 -3.18 0.00 0.24 -1.26 -4.72 118.33 108.30 3khn n VAL 60 Ca 0.03 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.84 3khn n VAL 60 Cb 0.54 0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 33.79 3khn n VAL 60 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3khn s GLU 61 N -2.36 3.77 0.40 7.34 0.41 -1.26 -4.14 118.70 122.86 3khn s GLU 61 Ca 0.04 0.31 -0.25 0.00 -0.41 0.00 0.00 54.97 54.66 3khn s GLU 61 Cb 0.10 -2.54 -0.08 0.00 -1.78 0.00 0.00 34.13 29.83 3khn s GLU 61 CO 0.57 0.15 1.16 -0.51 -0.49 0.00 0.00 175.26 176.14 3khn s LEU 62 N -3.39 4.18 0.28 1.80 1.43 -1.26 -4.50 118.68 117.21 3khn s LEU 62 Ca 0.48 2.32 -0.02 0.00 -1.03 0.00 0.00 54.13 55.88 3khn s LEU 62 Cb -0.11 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 3khn s LEU 62 CO 0.27 -0.68 0.50 0.00 0.23 0.00 0.00 176.35 176.67 3khn s ALA 63 N -1.44 3.71 0.30 4.21 0.00 0.26 -4.95 121.76 123.85 3khn s ALA 63 Ca 0.58 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.85 3khn s ALA 63 Cb -0.30 -2.15 0.82 0.00 0.00 0.00 0.00 23.12 21.49 3khn s ALA 63 CO 0.37 0.22 1.64 -1.35 0.00 0.00 0.00 175.76 176.65 3khn h PRO 64 N 1.50 0.21 0.00 0.00 0.11 -1.94 -0.83 132.00 131.05 3khn h PRO 64 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3khn h PRO 64 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3khn h PRO 64 CO 0.65 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 3khn n GLY 65 N -1.36 -0.95 0.33 -0.55 0.00 -1.26 -3.47 105.19 97.93 3khn n GLY 65 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3khn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khn h ALA 66 N 2.71 1.30 -0.35 4.61 0.00 -1.10 -3.07 119.26 123.35 3khn h ALA 66 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3khn h ALA 66 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3khn h ALA 66 CO 0.00 0.55 0.24 -0.44 0.00 0.00 0.00 179.25 179.60 3khn h ASP 67 N 0.98 0.25 -0.46 0.00 3.32 -1.76 -1.32 116.42 117.43 3khn h ASP 67 Ca 0.24 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3khn h ASP 67 Cb 0.08 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3khn h ASP 67 CO -0.03 0.17 0.25 -0.09 -1.72 0.00 0.00 179.24 177.82 3khn h ARG 68 N 0.29 0.49 0.09 3.56 2.43 -1.81 0.13 114.38 119.56 3khn h ARG 68 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3khn h ARG 68 Cb 0.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3khn h ARG 68 CO -0.03 0.32 -0.04 0.28 -1.51 0.00 0.00 179.97 178.99 3khn h VAL 69 N 0.50 1.16 -0.73 0.20 2.07 -1.56 -3.15 116.25 114.74 3khn h VAL 69 Ca 0.19 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3khn h VAL 69 Cb 0.06 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3khn h VAL 69 CO -0.11 0.29 0.26 -0.07 0.02 0.00 0.00 177.57 177.96 3khn h LEU 70 N -0.75 1.02 -1.18 2.57 3.38 -1.10 -1.61 115.31 117.64 3khn h LEU 70 Ca -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3khn h LEU 70 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3khn h LEU 70 CO 0.02 0.92 0.47 0.00 0.09 0.00 0.00 178.44 179.94 3khn h ALA 71 N 1.21 1.39 -0.38 1.53 0.00 -0.87 0.24 119.26 122.38 3khn h ALA 71 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3khn h ALA 71 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3khn h ALA 71 CO -0.01 0.53 0.05 1.15 0.00 0.00 0.00 179.25 180.97 3khn h THR 72 N 1.05 1.24 -0.75 0.00 2.02 -1.34 -2.50 112.91 112.62 3khn h THR 72 Ca 0.28 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 3khn h THR 72 Cb -0.06 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3khn h THR 72 CO -0.05 0.30 0.28 -0.07 0.37 0.00 0.00 175.52 176.35 3khn h LEU 73 N 0.47 1.05 -0.41 2.58 3.38 -1.05 -2.69 115.31 118.64 3khn h LEU 73 Ca 0.11 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3khn h LEU 73 Cb 0.38 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3khn h LEU 73 CO 0.01 0.94 0.13 0.50 0.09 0.00 0.00 178.44 180.11 3khn h LYS 74 N 1.10 0.28 -0.49 1.13 3.64 -0.34 0.19 116.57 122.08 3khn h LYS 74 Ca 0.25 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3khn h LYS 74 Cb 0.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3khn h LYS 74 CO -0.02 0.18 0.06 0.22 -2.27 0.00 0.00 179.45 177.63 3khn h ASP 75 N 0.29 0.79 -0.25 4.20 3.58 -1.34 -0.02 116.42 123.66 3khn h ASP 75 Ca 0.19 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3khn h ASP 75 Cb 0.19 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3khn h ASP 75 CO -0.20 0.86 0.13 0.25 -2.88 0.00 0.00 179.24 177.40 3khn h LEU 76 N 0.69 0.32 -1.29 2.28 5.85 -1.22 -0.57 115.31 121.37 3khn h LEU 76 Ca 0.15 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3khn h LEU 76 Cb 0.42 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3khn h LEU 76 CO 0.01 0.33 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.83 3khn h PHE 77 N 0.29 0.00 -0.02 1.25 0.04 -0.30 0.46 116.94 118.67 3khn h PHE 77 Ca 0.09 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3khn h PHE 77 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3khn h PHE 77 CO -0.03 0.35 -0.14 0.82 -0.60 0.00 0.00 178.31 178.72 3khn h ILE 78 N 0.00 1.51 -0.84 -0.55 2.04 -0.88 -3.23 117.51 115.56 3khn h ILE 78 Ca -0.00 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.19 3khn h ILE 78 Cb 0.63 2.57 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3khn h ILE 78 CO 0.05 0.46 0.54 0.03 0.00 0.00 0.00 178.15 179.23 3khn h ARG 79 N -0.50 1.02 -2.80 2.37 3.08 -0.87 -3.25 114.38 113.43 3khn h ARG 79 Ca -0.01 -0.06 -0.75 0.00 0.07 0.00 0.00 59.98 59.23 3khn h ARG 79 Cb 0.82 -0.23 -0.32 0.00 0.08 0.00 0.00 29.97 30.32 3khn h ARG 79 CO 0.03 0.67 0.39 0.54 -1.07 0.00 0.00 179.97 180.53 3khn n ARG 80 N -4.56 3.86 0.31 0.04 5.12 0.16 -4.89 116.66 116.70 3khn n ARG 80 Ca 0.10 -4.58 0.20 0.00 -1.93 0.00 0.00 57.85 51.64 3khn n ARG 80 Cb 0.10 -2.45 1.03 0.00 -1.16 0.00 0.00 32.46 29.98 3khn n ARG 80 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3khn h ARG 81 N 5.22 0.00 0.00 5.56 3.08 -1.59 -2.75 114.38 123.90 3khn h ARG 81 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3khn h ARG 81 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3khn h ARG 81 CO 1.17 0.02 0.00 -0.85 -1.07 0.00 0.00 179.97 179.24 3khn n GLU 82 N -3.27 0.06 -3.06 0.04 0.00 -1.26 -4.73 120.64 108.42 3khn n GLU 82 Ca -0.02 0.23 -0.41 0.00 0.00 0.00 0.00 57.16 56.96 3khn n GLU 82 Cb 0.13 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.01 3khn n GLU 82 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3khn s GLN 83 N -2.88 4.16 0.33 3.44 -1.52 -1.04 -4.44 119.66 117.71 3khn s GLN 83 Ca 0.09 0.66 -0.27 0.00 -1.95 0.00 0.00 55.36 53.89 3khn s GLN 83 Cb 0.09 -3.62 -0.09 0.00 -0.22 0.00 0.00 33.01 29.17 3khn s GLN 83 CO 0.25 -0.38 1.08 -0.80 -0.25 0.00 0.00 175.29 175.20 3khn s ASN 84 N 1.35 7.05 -0.28 5.90 0.01 0.29 -4.89 114.94 124.36 3khn s ASN 84 Ca 0.29 2.19 0.02 0.00 -0.71 0.00 0.00 52.86 54.65 3khn s ASN 84 Cb -0.16 -2.61 0.06 0.00 0.41 0.00 0.00 41.25 38.96 3khn s ASN 84 CO 0.09 -0.29 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.69 3khn s ILE 85 N -1.35 2.36 -0.43 0.60 1.01 0.55 -2.18 121.20 121.76 3khn s ILE 85 Ca 0.50 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 3khn s ILE 85 Cb -0.28 -2.43 0.10 0.00 0.01 0.00 0.00 42.46 39.85 3khn s ILE 85 CO 0.36 -0.13 0.26 0.20 0.00 0.00 0.00 174.94 175.63 3khn s ASN 86 N 1.12 5.52 0.02 3.58 -0.87 0.02 -1.62 114.94 122.70 3khn s ASN 86 Ca -0.05 -1.77 -0.28 0.00 -1.57 0.00 0.00 52.86 49.18 3khn s ASN 86 Cb -0.20 -1.94 -0.04 0.00 -0.02 0.00 0.00 41.25 39.05 3khn s ASN 86 CO -0.05 -0.58 0.89 -0.63 -2.57 0.00 0.00 177.10 174.16 3khn s ILE 87 N 1.32 4.80 -0.05 0.60 1.01 0.36 -0.84 121.20 128.40 3khn s ILE 87 Ca 0.05 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.59 3khn s ILE 87 Cb -0.24 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.01 3khn s ILE 87 CO -0.01 0.24 -0.08 -0.54 0.00 0.00 0.00 174.94 174.55 3khn s LYS 88 N 0.58 1.21 -0.16 2.79 1.02 -0.25 -0.40 119.74 124.52 3khn s LYS 88 Ca 0.46 -0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.13 3khn s LYS 88 Cb -0.21 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.99 3khn s LYS 88 CO 0.26 0.00 0.01 0.20 -0.92 0.00 0.00 175.35 174.90 3khn s GLY 89 N 0.67 1.82 0.09 -3.33 0.00 -0.31 -0.05 107.32 106.21 3khn s GLY 89 Ca -0.11 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 43.89 3khn s GLY 89 CO 0.02 -0.05 -0.18 -1.36 0.00 0.00 0.00 173.10 171.52 3khn s PHE 90 N 0.25 1.54 0.30 1.90 0.08 -0.53 -0.44 117.98 121.09 3khn s PHE 90 Ca 0.01 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.68 3khn s PHE 90 Cb -0.13 -0.85 -0.06 0.00 -0.57 0.00 0.00 43.02 41.41 3khn s PHE 90 CO 0.02 0.14 -0.03 0.95 -0.10 0.00 0.00 175.22 176.19 3khn s THR 91 N -1.21 1.62 0.00 0.64 -4.23 -0.13 -2.79 115.64 109.54 3khn s THR 91 Ca 0.03 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3khn s THR 91 Cb -0.10 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3khn s THR 91 CO 0.03 -0.22 0.00 -0.90 -0.54 0.00 0.00 174.62 172.99 3khn n ASP 92 N -0.64 -0.42 -1.46 3.99 5.68 -1.26 -4.34 116.55 118.10 3khn n ASP 92 Ca -0.05 -0.55 0.08 0.00 -0.50 0.00 0.00 54.79 53.78 3khn n ASP 92 Cb 0.64 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.95 3khn n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3khn n ASP 93 N -2.28 4.32 -4.59 -1.12 5.75 -1.26 -4.56 116.55 112.81 3khn n ASP 93 Ca 0.00 -2.39 -0.41 0.00 -0.01 0.00 0.00 54.79 51.98 3khn n ASP 93 Cb 0.00 -0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.47 3khn n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3khn s VAL 94 N -1.81 5.01 0.72 2.12 1.01 -1.26 -5.05 120.40 121.15 3khn s VAL 94 Ca 0.46 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.95 3khn s VAL 94 Cb 0.30 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.78 3khn s VAL 94 CO 0.22 -0.09 1.20 -1.10 0.00 0.00 0.00 175.10 175.34 3khn s GLN 95 N 2.42 2.24 0.82 2.72 -1.52 -1.26 -4.94 119.66 120.14 3khn s GLN 95 Ca 0.21 1.75 -0.11 0.00 -1.95 0.00 0.00 55.36 55.25 3khn s GLN 95 Cb -0.15 -1.85 0.09 0.00 -0.22 0.00 0.00 33.01 30.88 3khn s GLN 95 CO 0.12 -1.76 1.09 -1.25 -0.25 0.00 0.00 175.29 173.24 3khn s PRO 96 N -3.88 1.86 0.20 2.91 0.04 -1.26 -4.95 135.00 129.92 3khn s PRO 96 Ca 0.74 0.73 -0.33 0.00 0.04 0.00 0.00 61.00 62.18 3khn s PRO 96 Cb -0.29 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 3khn s PRO 96 CO 0.44 -1.80 1.43 0.45 0.04 0.00 0.00 177.00 177.57 3khn n SER 97 N -3.57 2.63 -0.03 6.66 2.88 -1.26 -4.88 113.62 116.04 3khn n SER 97 Ca 0.07 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.88 3khn n SER 97 Cb 0.56 -1.39 0.66 0.00 -0.75 0.00 0.00 64.21 63.29 3khn n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3khn n ALA 98 N 2.39 2.61 0.53 -1.46 0.00 -1.26 -1.73 120.51 121.59 3khn n ALA 98 Ca 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 3khn n ALA 98 Cb 0.29 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.35 3khn n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3khn n ASN 99 N -1.24 3.38 -4.32 0.00 0.23 -1.26 -4.88 115.26 107.17 3khn n ASN 99 Ca 0.12 -2.29 -0.17 0.00 -0.53 0.00 0.00 54.58 51.72 3khn n ASN 99 Cb 0.28 -0.61 -0.10 0.00 -2.08 0.00 0.00 39.78 37.26 3khn n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3khn s ALA 100 N -0.52 1.76 0.44 -2.53 0.00 -0.70 -5.06 121.76 115.15 3khn s ALA 100 Ca 0.09 -1.81 0.33 0.00 0.00 0.00 0.00 51.96 50.56 3khn s ALA 100 Cb 0.07 0.75 1.70 0.00 0.00 0.00 0.00 23.12 25.65 3khn s ALA 100 CO 0.02 -0.35 2.15 -0.09 0.00 0.00 0.00 175.76 177.48 3khn h ARG 101 N 2.43 0.00 -5.26 0.00 2.43 -1.90 -3.44 114.38 108.65 3khn h ARG 101 Ca -0.38 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.17 3khn h ARG 101 Cb 1.23 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.63 3khn h ARG 101 CO 0.63 0.06 -0.55 -0.06 -1.51 0.00 0.00 179.97 178.55 3khn s PHE 102 N -4.15 3.28 0.31 2.20 0.08 -1.26 -5.00 117.98 113.44 3khn s PHE 102 Ca -0.03 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.17 3khn s PHE 102 Cb 0.13 -2.11 0.52 0.00 -0.57 0.00 0.00 43.02 40.99 3khn s PHE 102 CO 0.53 0.17 1.83 0.87 -0.10 0.00 0.00 175.22 178.52 3khn h LYS 103 N 6.77 0.59 0.00 0.44 1.57 -1.92 -3.45 116.57 120.56 3khn h LYS 103 Ca -0.38 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 3khn h LYS 103 Cb 1.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3khn h LYS 103 CO 0.71 0.62 0.28 -0.40 -0.57 0.00 0.00 179.45 180.10 3khn n ASP 104 N -4.25 -1.24 0.22 0.86 5.68 -1.26 -4.89 116.55 111.67 3khn n ASP 104 Ca 0.02 -1.75 0.15 0.00 -0.50 0.00 0.00 54.79 52.70 3khn n ASP 104 Cb 0.27 2.04 0.51 0.00 -1.14 0.00 0.00 41.12 42.80 3khn n ASP 104 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3khn h ASN 105 N 1.23 0.00 -0.10 -1.12 2.35 -1.92 -2.15 115.58 113.87 3khn h ASN 105 Ca -0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3khn h ASN 105 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 3khn h ASN 105 CO 0.24 0.00 0.04 -0.50 -1.65 0.00 0.00 177.43 175.57 3khn h TRP 106 N 0.00 0.16 -0.33 1.19 4.06 -1.93 -0.80 115.95 118.30 3khn h TRP 106 Ca 0.00 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 3khn h TRP 106 Cb 0.60 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 3khn h TRP 106 CO 0.00 0.25 -0.08 0.93 -3.56 0.00 0.00 178.44 175.98 3khn h GLU 107 N 0.02 0.64 -0.04 0.49 5.08 -1.89 0.02 114.58 118.90 3khn h GLU 107 Ca 0.03 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3khn h GLU 107 Cb 0.16 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3khn h GLU 107 CO -0.00 0.81 0.02 0.28 -1.00 0.00 0.00 179.01 179.12 3khn h VAL 108 N 0.42 1.05 -0.52 3.13 2.07 -1.41 -0.22 116.25 120.77 3khn h VAL 108 Ca 0.08 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3khn h VAL 108 Cb 0.58 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3khn h VAL 108 CO 0.03 0.04 -0.02 0.77 0.02 0.00 0.00 177.57 178.41 3khn h SER 109 N 0.00 0.87 -0.27 0.57 4.64 -1.10 -1.34 113.55 116.91 3khn h SER 109 Ca 0.01 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 60.95 3khn h SER 109 Cb 0.04 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 3khn h SER 109 CO -0.00 0.94 -0.37 0.00 -0.87 0.00 0.00 176.83 176.53 3khn h ALA 110 N 1.15 0.69 -0.21 5.18 0.00 -0.73 -1.23 119.26 124.13 3khn h ALA 110 Ca 0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 3khn h ALA 110 Cb 0.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3khn h ALA 110 CO 0.03 0.67 -0.69 -0.07 0.00 0.00 0.00 179.25 179.19 3khn h LEU 111 N 0.67 0.94 -0.40 0.00 3.38 -0.86 -1.87 115.31 117.17 3khn h LEU 111 Ca 0.06 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3khn h LEU 111 Cb 0.93 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3khn h LEU 111 CO 0.09 1.37 0.13 0.03 0.09 0.00 0.00 178.44 180.15 3khn h ARG 112 N 0.59 0.27 -0.17 1.13 3.08 -1.19 -1.71 114.38 116.39 3khn h ARG 112 Ca -0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3khn h ARG 112 Cb 1.30 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3khn h ARG 112 CO 0.14 0.18 0.04 0.66 -1.07 0.00 0.00 179.97 179.92 3khn h SER 113 N 0.28 0.02 -0.09 7.04 4.64 -1.08 -0.78 113.55 123.57 3khn h SER 113 Ca 0.19 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 3khn h SER 113 Cb 0.18 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3khn h SER 113 CO -0.20 0.04 -0.04 1.62 -0.87 0.00 0.00 176.83 177.37 3khn h VAL 114 N 0.11 1.16 -0.07 0.95 3.04 -1.23 0.26 116.25 120.46 3khn h VAL 114 Ca 0.07 -0.67 -0.16 0.00 -1.01 0.00 0.00 66.70 64.94 3khn h VAL 114 Cb 0.06 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3khn h VAL 114 CO -0.10 0.22 -0.65 0.78 -1.01 0.00 0.00 177.57 176.81 3khn h ASN 115 N 0.32 0.32 -0.23 3.17 2.35 -1.00 0.30 115.58 120.81 3khn h ASN 115 Ca 0.07 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3khn h ASN 115 Cb 0.29 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3khn h ASN 115 CO 0.01 0.88 -0.06 0.58 -1.65 0.00 0.00 177.43 177.19 3khn h VAL 116 N 0.20 1.29 -0.75 2.81 2.07 -0.73 -2.66 116.25 118.48 3khn h VAL 116 Ca -0.01 -1.07 0.15 0.00 0.82 0.00 0.00 66.70 66.58 3khn h VAL 116 Cb 1.18 1.52 -0.10 0.00 -1.52 0.00 0.00 31.29 32.37 3khn h VAL 116 CO 0.10 0.33 0.27 0.25 0.02 0.00 0.00 177.57 178.54 3khn h LEU 117 N 0.17 0.20 -1.13 2.57 5.85 -0.81 -2.00 115.31 120.16 3khn h LEU 117 Ca 0.06 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3khn h LEU 117 Cb 0.53 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3khn h LEU 117 CO 0.02 0.06 -0.20 0.03 -0.34 0.00 0.00 178.44 178.01 3khn h ARG 118 N 0.39 0.37 -0.19 1.25 3.08 -0.78 0.52 114.38 119.01 3khn h ARG 118 Ca 0.42 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.38 3khn h ARG 118 Cb 0.67 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3khn h ARG 118 CO -0.44 0.56 0.02 -0.92 -1.07 0.00 0.00 179.97 178.12 3khn h TYR 119 N 0.33 0.03 -0.31 3.04 3.20 -1.02 -0.64 116.97 121.61 3khn h TYR 119 Ca 0.06 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3khn h TYR 119 Cb 0.55 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3khn h TYR 119 CO 0.01 0.00 -0.41 0.74 -1.64 0.00 0.00 178.16 176.87 3khn h PHE 120 N 0.09 0.91 -0.64 -3.82 0.04 -1.06 -1.24 116.94 111.21 3khn h PHE 120 Ca 0.09 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.62 3khn h PHE 120 Cb 0.09 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3khn h PHE 120 CO -0.15 1.04 0.39 -0.07 -0.60 0.00 0.00 178.31 178.91 3khn h LEU 121 N 0.62 0.62 -1.48 1.54 3.38 -0.85 -1.20 115.31 117.93 3khn h LEU 121 Ca 0.05 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3khn h LEU 121 Cb 0.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3khn h LEU 121 CO 0.09 0.43 -0.26 1.23 0.09 0.00 0.00 178.44 180.02 3khn h GLY 122 N 0.75 0.00 1.05 0.83 0.00 -0.80 -1.62 103.07 103.28 3khn h GLY 122 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3khn h GLY 122 CO -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.41 3khn n ALA 123 N -2.39 2.64 -0.48 3.60 0.00 -0.50 -4.91 120.51 118.47 3khn n ALA 123 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3khn n ALA 123 Cb 0.34 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3khn n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khn n GLY 124 N 1.10 0.71 3.71 0.00 0.00 -0.61 -5.05 105.19 105.06 3khn n GLY 124 Ca 0.21 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3khn n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khn s ILE 125 N -2.00 4.13 0.03 -0.61 -1.09 -0.49 -4.95 121.20 116.22 3khn s ILE 125 Ca 0.00 1.55 -0.35 0.00 -2.23 0.00 0.00 60.65 59.62 3khn s ILE 125 Cb 0.00 -3.99 -0.14 0.00 -1.58 0.00 0.00 42.46 36.74 3khn s ILE 125 CO 0.00 0.13 1.60 1.21 -1.23 0.00 0.00 174.94 176.66 3khn n GLU 126 N 3.78 1.77 -0.31 2.79 2.13 -1.26 -4.53 120.64 125.01 3khn n GLU 126 Ca 0.08 0.64 0.02 0.00 0.66 0.00 0.00 57.16 58.57 3khn n GLU 126 Cb 0.47 -2.38 0.16 0.00 0.27 0.00 0.00 31.44 29.96 3khn n GLU 126 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3khn h PRO 127 N 6.44 0.88 0.00 5.31 0.11 -1.95 -1.77 132.00 141.02 3khn h PRO 127 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3khn h PRO 127 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3khn h PRO 127 CO 0.88 0.58 0.00 0.00 -0.21 0.00 0.00 178.00 179.25 3khn h ALA 128 N 1.44 1.00 0.00 -0.75 0.00 -2.04 -1.36 119.26 117.55 3khn h ALA 128 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3khn h ALA 128 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3khn h ALA 128 CO -0.21 -0.00 -0.35 0.54 0.00 0.00 0.00 179.25 179.22 3khn n ARG 129 N -2.47 0.19 -4.51 0.00 1.74 -0.66 -4.92 116.66 106.02 3khn n ARG 129 Ca -0.02 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 3khn n ARG 129 Cb 0.04 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.72 3khn n ARG 129 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3khn s LEU 130 N -3.91 3.34 0.26 0.55 1.43 -0.52 -0.33 118.68 119.50 3khn s LEU 130 Ca 0.09 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3khn s LEU 130 Cb 0.15 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 3khn s LEU 130 CO 0.66 0.35 -0.02 0.42 0.23 0.00 0.00 176.35 177.99 3khn s THR 131 N -0.75 1.29 -0.26 5.49 -4.23 -0.64 -4.98 115.64 111.55 3khn s THR 131 Ca 0.11 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3khn s THR 131 Cb -0.11 -2.44 0.15 0.00 1.34 0.00 0.00 72.50 71.45 3khn s THR 131 CO 0.02 -0.28 0.46 0.00 -0.54 0.00 0.00 174.62 174.27 3khn s ALA 132 N -3.25 -1.50 -0.05 3.99 0.00 -1.25 -0.48 121.76 119.22 3khn s ALA 132 Ca 0.30 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.51 3khn s ALA 132 Cb 0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3khn s ALA 132 CO 0.11 -1.31 -0.21 0.99 0.00 0.00 0.00 175.76 175.34 3khn s THR 133 N 2.65 1.70 -0.20 0.00 2.01 0.46 -4.67 115.64 117.60 3khn s THR 133 Ca 0.15 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 3khn s THR 133 Cb -0.15 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3khn s THR 133 CO -0.18 0.48 0.59 -0.83 -0.69 0.00 0.00 174.62 173.99 3khn s GLY 134 N -0.06 2.05 0.00 4.40 0.00 -1.26 -1.16 107.32 111.28 3khn s GLY 134 Ca -0.03 -0.33 0.12 0.00 0.00 0.00 0.00 44.72 44.48 3khn s GLY 134 CO 0.03 1.24 0.90 1.04 0.00 0.00 0.00 173.10 176.31 3khn n LEU 135 N 4.99 2.06 0.00 0.66 4.77 0.42 -4.72 117.00 125.17 3khn n LEU 135 Ca -0.03 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 3khn n LEU 135 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3khn n LEU 135 CO 0.43 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3khn n GLY 136 N 0.66 2.79 0.62 -0.72 0.00 -1.20 -1.92 105.19 105.42 3khn n GLY 136 Ca 0.07 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.05 3khn n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3khn n GLU 137 N 14.00 1.81 -2.13 1.61 0.28 -1.26 -0.95 120.64 134.00 3khn n GLU 137 Ca 0.00 -1.23 -0.38 0.00 -0.16 0.00 0.00 57.16 55.39 3khn n GLU 137 Cb 0.00 -1.39 -0.00 0.00 1.43 0.00 0.00 31.44 31.48 3khn n GLU 137 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3khn s LEU 138 N -1.46 4.06 -1.08 -1.84 2.96 -0.81 -3.65 118.68 116.86 3khn s LEU 138 Ca 0.31 2.48 -0.21 0.00 -0.22 0.00 0.00 54.13 56.50 3khn s LEU 138 Cb 0.17 -4.12 0.01 0.00 0.50 0.00 0.00 46.19 42.75 3khn s LEU 138 CO 0.25 -0.98 0.71 0.47 -1.32 0.00 0.00 176.35 175.48 3khn n ASP 139 N -0.33 -4.96 -4.68 3.68 8.00 -1.26 -4.73 116.55 112.26 3khn n ASP 139 Ca 0.06 -1.05 -0.43 0.00 0.71 0.00 0.00 54.79 54.08 3khn n ASP 139 Cb 0.46 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 3khn n ASP 139 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3khn n PRO 140 N -4.04 2.04 -0.02 -0.24 -0.01 -1.24 -4.78 135.00 126.72 3khn n PRO 140 Ca -0.14 0.72 -0.06 0.00 -0.01 0.00 0.00 63.50 64.01 3khn n PRO 140 Cb 0.60 -2.28 0.13 0.00 -0.01 0.00 0.00 33.50 31.94 3khn n PRO 140 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 3khn h LEU 141 N 2.65 0.60 -8.57 2.45 5.85 -1.92 -3.44 115.31 112.92 3khn h LEU 141 Ca -0.45 -0.23 -0.45 0.00 0.84 0.00 0.00 57.88 57.58 3khn h LEU 141 Cb 1.29 -0.17 -0.20 0.00 0.37 0.00 0.00 40.66 41.95 3khn h LEU 141 CO 0.64 0.88 -0.78 -0.36 -0.34 0.00 0.00 178.44 178.47 3khn s PHE 142 N -4.41 1.45 0.40 1.25 0.08 -1.26 -5.09 117.98 110.39 3khn s PHE 142 Ca -0.08 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.21 3khn s PHE 142 Cb 0.13 -0.78 -0.10 0.00 -0.57 0.00 0.00 43.02 41.70 3khn s PHE 142 CO 0.81 0.14 1.41 -2.14 -0.10 0.00 0.00 175.22 175.34 3khn s PRO 143 N -2.22 4.00 -1.55 0.24 0.02 -1.26 -4.85 135.00 129.38 3khn s PRO 143 Ca 0.05 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.35 3khn s PRO 143 Cb -0.08 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 3khn s PRO 143 CO 0.03 -0.55 2.67 0.09 -0.33 0.00 0.00 177.00 178.91 3khn n ASN 144 N 0.27 6.79 -0.04 2.53 3.02 -1.26 -4.43 115.26 122.15 3khn n ASN 144 Ca 0.02 -2.68 0.03 0.00 -0.03 0.00 0.00 54.58 51.93 3khn n ASN 144 Cb 0.41 -1.59 -0.02 0.00 -0.61 0.00 0.00 39.78 37.97 3khn n ASN 144 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3khn n THR 145 N 4.19 0.00 -3.62 3.41 -2.24 -1.26 -4.95 114.28 109.81 3khn n THR 145 Ca 0.68 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3khn n THR 145 Cb 0.29 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 3khn n THR 145 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3khn s SER 146 N -1.34 -0.29 0.29 3.42 1.04 -1.26 -5.03 113.70 110.52 3khn s SER 146 Ca 0.03 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.33 3khn s SER 146 Cb 0.04 0.47 0.68 0.00 0.10 0.00 0.00 66.02 67.32 3khn s SER 146 CO 0.20 -0.80 1.77 0.44 0.98 0.00 0.00 173.24 175.82 3khn h ASP 147 N 2.53 0.71 -0.21 7.02 3.32 -1.97 -0.36 116.42 127.46 3khn h ASP 147 Ca -0.33 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3khn h ASP 147 Cb 1.24 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3khn h ASP 147 CO 0.45 0.26 0.02 -0.33 -1.72 0.00 0.00 179.24 177.92 3khn h GLU 148 N 0.72 0.35 -0.24 3.56 3.07 -1.98 -0.13 114.58 119.94 3khn h GLU 148 Ca 0.55 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 3khn h GLU 148 Cb 0.83 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 3khn h GLU 148 CO -0.38 0.51 0.10 -0.91 -1.40 0.00 0.00 179.01 176.93 3khn h ASN 149 N 0.13 0.33 -0.67 1.42 2.35 -1.76 -2.72 115.58 114.67 3khn h ASN 149 Ca 0.06 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3khn h ASN 149 Cb 0.34 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3khn h ASN 149 CO 0.01 0.40 0.38 0.03 -1.65 0.00 0.00 177.43 176.59 3khn h ARG 150 N 0.23 0.68 -0.84 0.81 3.08 -0.95 -1.68 114.38 115.71 3khn h ARG 150 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3khn h ARG 150 Cb 0.18 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3khn h ARG 150 CO -0.01 0.45 0.42 0.00 -1.07 0.00 0.00 179.97 179.77 3khn h ALA 151 N 1.34 1.08 0.00 0.04 0.00 -0.95 -1.17 119.26 119.60 3khn h ALA 151 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3khn h ALA 151 Cb 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3khn h ALA 151 CO -0.17 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.66 3khn h ARG 152 N 1.19 0.00 0.00 0.00 3.08 -1.13 -2.68 114.38 114.85 3khn h ARG 152 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3khn h ARG 152 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3khn h ARG 152 CO -0.04 0.05 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.97 3khn h ASN 153 N 0.00 0.00 -2.54 7.04 2.35 -0.30 -3.41 115.58 118.73 3khn h ASN 153 Ca -0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 3khn h ASN 153 Cb 0.10 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.29 3khn h ASN 153 CO 0.01 0.03 0.70 -0.13 -1.65 0.00 0.00 177.43 176.39 3khn s ARG 154 N -3.32 3.47 0.17 0.81 0.52 -0.97 -3.53 118.95 116.10 3khn s ARG 154 Ca 0.05 -1.58 -0.14 0.00 -0.52 0.00 0.00 55.73 53.54 3khn s ARG 154 Cb 0.06 -4.72 0.02 0.00 0.52 0.00 0.00 34.95 30.83 3khn s ARG 154 CO 0.64 -1.75 0.41 -0.98 0.02 0.00 0.00 175.30 173.65 3khn s ARG 155 N 2.86 1.22 -0.11 3.54 1.70 -1.12 -1.33 118.95 125.71 3khn s ARG 155 Ca 0.29 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.64 3khn s ARG 155 Cb -0.09 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 3khn s ARG 155 CO -0.05 -0.49 -0.18 0.08 -1.08 0.00 0.00 175.30 173.59 3khn s VAL 156 N -3.89 2.62 0.08 4.99 1.01 0.32 -1.45 120.40 124.09 3khn s VAL 156 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3khn s VAL 156 Cb 0.01 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3khn s VAL 156 CO -0.04 0.54 0.07 -1.61 0.00 0.00 0.00 175.10 174.06 3khn s GLU 157 N 0.25 2.83 -0.30 2.72 2.02 0.92 -0.77 118.70 126.38 3khn s GLU 157 Ca -0.12 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3khn s GLU 157 Cb -0.16 -2.70 0.08 0.00 0.10 0.00 0.00 34.13 31.45 3khn s GLU 157 CO 0.06 0.57 -0.03 -0.06 0.02 0.00 0.00 175.26 175.82 3khn s PHE 158 N -1.37 3.45 -0.34 1.61 0.08 0.01 -1.09 117.98 120.34 3khn s PHE 158 Ca 0.28 -2.63 -0.14 0.00 0.12 0.00 0.00 56.93 54.57 3khn s PHE 158 Cb -0.12 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3khn s PHE 158 CO 0.21 -0.91 0.31 0.08 -0.10 0.00 0.00 175.22 174.81 3khn s VAL 159 N 1.02 5.22 -0.19 -0.44 1.01 -0.02 -1.10 120.40 125.91 3khn s VAL 159 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3khn s VAL 159 Cb -0.19 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3khn s VAL 159 CO -0.07 -0.05 -0.01 -0.76 0.00 0.00 0.00 175.10 174.21 3khn s LEU 160 N 1.88 3.25 -0.01 3.92 1.43 0.15 -0.80 118.68 128.50 3khn s LEU 160 Ca 0.09 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3khn s LEU 160 Cb -0.17 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3khn s LEU 160 CO 0.11 0.10 -0.08 -1.61 0.23 0.00 0.00 176.35 175.10 3khn s GLU 161 N 0.80 0.72 -0.84 1.70 2.02 -0.92 -1.32 118.70 120.85 3khn s GLU 161 Ca -0.00 -0.27 -0.25 0.00 0.02 0.00 0.00 54.97 54.47 3khn s GLU 161 Cb -0.14 -0.69 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 3khn s GLU 161 CO 0.02 0.14 1.81 0.50 0.02 0.00 0.00 175.26 177.75 3khn s ARG 162 N -0.01 2.76 0.00 1.61 3.52 -1.26 -0.55 118.95 125.02 3khn s ARG 162 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3khn s ARG 162 Cb -0.05 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.45 3khn s ARG 162 CO -0.00 -2.98 0.00 0.39 -0.81 0.00 0.00 175.30 171.90 3khn n GLU 167 N 8.97 0.00 0.10 5.12 1.02 -1.26 -4.78 120.64 129.81 3khn n GLU 167 Ca 0.32 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.23 3khn n GLU 167 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.76 3khn n GLU 167 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3khn h GLY 168 N 0.00 0.50 -6.67 0.62 0.00 -2.10 -3.44 103.07 91.99 3khn h GLY 168 Ca 0.00 -1.28 -0.60 0.00 0.00 0.00 0.00 47.33 45.45 3khn h GLY 168 CO 0.00 1.12 -0.82 0.30 0.00 0.00 0.00 176.54 177.14 3khn s HIS 169 N -2.57 1.99 -0.22 5.60 3.76 -1.26 -5.10 115.29 117.51 3khn s HIS 169 Ca -0.14 -2.66 -0.35 0.00 -0.15 0.00 0.00 55.06 51.76 3khn s HIS 169 Cb 0.04 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 32.01 3khn s HIS 169 CO 0.88 -0.73 1.97 1.58 -0.85 0.00 0.00 174.74 177.59 3khn n HIS 170 N 2.65 2.04 0.27 1.40 -0.00 -1.26 -4.84 115.22 115.48 3khn n HIS 170 Ca 0.24 0.18 0.15 0.00 0.46 0.00 0.00 57.72 58.75 3khn n HIS 170 Cb 0.42 -2.59 0.75 0.00 -0.12 0.00 0.00 29.99 28.45 3khn n HIS 170 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3khn h HIS 171 N 10.15 0.00 0.00 1.57 -0.00 -2.01 -3.55 115.15 121.31 3khn h HIS 171 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3khn h HIS 171 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 3khn h HIS 171 CO 0.89 0.09 0.00 0.72 -0.00 0.00 0.00 177.93 179.62