#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khn s LEU 7 N 0.00 3.00 0.00 7.52 2.34 -1.26 -4.88 118.68 125.40 1khn s LEU 7 Ca 0.00 0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.34 1khn s LEU 7 Cb 0.00 -2.81 0.00 0.00 -0.56 0.00 0.00 46.19 42.82 1khn s LEU 7 CO 0.00 -1.53 0.00 -0.62 -1.06 0.00 0.00 176.35 173.14 1khn n GLU 8 N -2.74 0.00 -3.69 1.48 -0.58 -1.26 -4.91 120.64 108.93 1khn n GLU 8 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.55 1khn n GLU 8 Cb 0.60 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.31 1khn n GLU 8 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1khn s ASN 9 N 0.00 3.38 -0.13 1.62 2.47 -1.26 -4.96 114.94 116.06 1khn s ASN 9 Ca 0.00 -1.17 0.16 0.00 0.42 0.00 0.00 52.86 52.27 1khn s ASN 9 Cb 0.00 -0.63 0.35 0.00 -1.45 0.00 0.00 41.25 39.52 1khn s ASN 9 CO 0.00 -0.37 1.23 0.54 -3.72 0.00 0.00 177.10 174.78 1khn n ARG 10 N 5.03 2.01 -2.26 0.43 5.12 -1.26 -4.78 116.66 120.94 1khn n ARG 10 Ca -0.06 -2.56 -0.32 0.00 -1.93 0.00 0.00 57.85 52.98 1khn n ARG 10 Cb 0.45 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 1khn n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1khn s ALA 11 N -2.64 2.98 0.55 7.54 0.00 -1.26 -4.73 121.76 124.19 1khn s ALA 11 Ca 0.32 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1khn s ALA 11 Cb 0.27 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 1khn s ALA 11 CO 0.05 -0.43 1.12 0.00 0.00 0.00 0.00 175.76 176.51 1khn n ALA 12 N -1.78 0.71 -0.10 0.00 0.00 -0.05 -4.45 120.51 114.84 1khn n ALA 12 Ca 0.07 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1khn n ALA 12 Cb 0.54 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 1khn n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1khn h GLN 13 N 1.02 0.73 0.00 0.00 1.08 -0.44 -3.48 115.11 114.02 1khn h GLN 13 Ca -0.49 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.33 1khn h GLN 13 Cb 1.34 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1khn h GLN 13 CO 0.54 1.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.83 1khn n GLY 14 N 0.14 2.93 3.62 3.46 0.00 -0.07 -5.05 105.19 110.22 1khn n GLY 14 Ca -0.03 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1khn n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1khn s ASN 15 N 1.75 6.78 0.06 1.61 3.04 -1.26 -4.76 114.94 122.17 1khn s ASN 15 Ca 0.00 0.86 0.11 0.00 0.04 0.00 0.00 52.86 53.86 1khn s ASN 15 Cb 0.00 -2.55 0.47 0.00 -1.54 0.00 0.00 41.25 37.64 1khn s ASN 15 CO 0.00 -1.05 1.33 2.30 -3.04 0.00 0.00 177.10 176.64 1khn n ILE 16 N 6.28 1.36 1.00 -5.21 -5.35 -1.25 -1.64 119.36 114.55 1khn n ILE 16 Ca 0.12 0.38 0.12 0.00 -0.27 0.00 0.00 62.75 63.10 1khn n ILE 16 Cb 0.48 -1.27 0.16 0.00 -1.74 0.00 0.00 39.64 37.27 1khn n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1khn n THR 17 N -1.64 0.00 -4.08 7.28 -2.24 -1.26 -4.48 114.28 107.86 1khn n THR 17 Ca 0.02 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 1khn n THR 17 Cb 0.10 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 1khn n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1khn s ALA 18 N -3.00 3.56 0.04 6.98 0.00 -0.65 -5.05 121.76 123.64 1khn s ALA 18 Ca 0.10 -1.17 -0.36 0.00 0.00 0.00 0.00 51.96 50.54 1khn s ALA 18 Cb 0.17 -1.37 -0.15 0.00 0.00 0.00 0.00 23.12 21.77 1khn s ALA 18 CO 0.74 0.56 1.53 -2.30 0.00 0.00 0.00 175.76 176.30 1khn n PRO 19 N -0.14 1.61 -1.24 0.00 -0.02 -1.26 -1.07 135.00 132.87 1khn n PRO 19 Ca -0.08 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 1khn n PRO 19 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1khn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1khn n GLY 20 N 3.25 0.91 0.10 -1.23 0.00 -1.26 -4.83 105.19 102.13 1khn n GLY 20 Ca 0.19 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1khn n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1khn h GLY 21 N 0.00 0.00 1.10 -0.02 0.00 -1.18 -3.32 103.07 99.65 1khn h GLY 21 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1khn h GLY 21 CO 0.24 0.00 -0.91 0.00 0.00 0.00 0.00 176.54 175.88 1khn h ALA 22 N 1.71 0.55 -2.20 3.60 0.00 -1.73 -0.10 119.26 121.08 1khn h ALA 22 Ca -0.08 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.22 1khn h ALA 22 Cb 1.29 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.25 1khn h ALA 22 CO 0.02 0.01 -0.51 0.54 0.00 0.00 0.00 179.25 179.31 1khn n ARG 23 N -2.72 0.46 -0.01 0.00 1.74 -1.25 -4.42 116.66 110.45 1khn n ARG 23 Ca 0.00 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 1khn n ARG 23 Cb 0.55 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.43 1khn n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1khn n ARG 24 N 0.49 0.88 -2.88 5.56 1.74 -1.26 -0.30 116.66 120.89 1khn n ARG 24 Ca 0.11 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 1khn n ARG 24 Cb 0.44 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 1khn n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1khn s LEU 25 N -3.76 4.56 -0.18 0.55 1.43 -1.26 -4.41 118.68 115.60 1khn s LEU 25 Ca -0.03 1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 54.60 1khn s LEU 25 Cb 0.04 -3.41 -0.21 0.00 0.03 0.00 0.00 46.19 42.64 1khn s LEU 25 CO 0.30 0.10 0.26 0.74 0.23 0.00 0.00 176.35 177.99 1khn h THR 26 N 3.59 0.85 -0.62 5.49 2.02 -1.94 -3.49 112.91 118.82 1khn h THR 26 Ca -0.45 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.50 1khn h THR 26 Cb 1.21 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1khn h THR 26 CO 0.69 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.65 1khn n GLY 27 N 1.58 4.08 3.69 2.16 0.00 -1.26 -5.14 105.19 110.31 1khn n GLY 27 Ca -0.32 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1khn n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1khn s ASP 28 N 1.57 7.18 0.26 1.61 2.15 -1.26 -4.95 116.67 123.23 1khn s ASP 28 Ca 0.00 1.70 0.14 0.00 0.43 0.00 0.00 52.55 54.82 1khn s ASP 28 Cb 0.00 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.13 1khn s ASP 28 CO 0.00 -0.46 1.44 1.56 -0.17 0.00 0.00 175.17 177.54 1khn h GLN 29 N 7.14 0.00 -0.73 4.34 4.20 -2.00 -3.40 115.11 124.66 1khn h GLN 29 Ca -0.35 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.43 1khn h GLN 29 Cb 1.17 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.86 1khn h GLN 29 CO 0.84 0.58 -0.43 2.41 -0.67 0.00 0.00 178.83 181.56 1khn n THR 30 N -3.27 -0.49 -0.09 -0.54 -1.04 -1.26 0.85 114.28 108.43 1khn n THR 30 Ca 0.01 2.05 -0.09 0.00 -2.04 0.00 0.00 64.05 63.98 1khn n THR 30 Cb 0.75 -2.56 -0.02 0.00 -1.82 0.00 0.00 70.33 66.68 1khn n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1khn h ALA 31 N 0.17 0.37 -0.68 2.41 0.00 -1.99 0.70 119.26 120.24 1khn h ALA 31 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1khn h ALA 31 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1khn h ALA 31 CO -0.68 -0.11 0.25 0.00 0.00 0.00 0.00 179.25 178.70 1khn h ALA 32 N 1.05 1.17 -0.27 0.00 0.00 -1.58 -1.55 119.26 118.08 1khn h ALA 32 Ca 0.10 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1khn h ALA 32 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1khn h ALA 32 CO -0.02 0.59 -0.39 -0.07 0.00 0.00 0.00 179.25 179.36 1khn h LEU 33 N 0.98 0.67 -1.35 0.00 3.38 0.80 -2.64 115.31 117.15 1khn h LEU 33 Ca 0.23 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1khn h LEU 33 Cb 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1khn h LEU 33 CO -0.02 0.99 -0.02 -0.09 0.09 0.00 0.00 178.44 179.39 1khn h ARG 34 N 0.52 0.40 -0.79 1.13 2.43 -0.18 -1.70 114.38 116.19 1khn h ARG 34 Ca 0.05 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1khn h ARG 34 Cb 0.91 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1khn h ARG 34 CO 0.08 0.45 0.03 0.09 -1.51 0.00 0.00 179.97 179.11 1khn n ASN 35 N -4.31 3.59 0.00 -3.80 4.13 -0.65 -3.26 115.26 110.97 1khn n ASN 35 Ca 0.01 -2.54 0.00 0.00 1.68 0.00 0.00 54.58 53.73 1khn n ASN 35 Cb 0.23 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1khn n ASN 35 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1khn n SER 36 N 0.29 2.09 -4.58 6.41 7.64 -0.65 -4.99 113.62 119.84 1khn n SER 36 Ca 0.16 -0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.35 1khn n SER 36 Cb 0.80 0.96 -0.04 0.00 -1.01 0.00 0.00 64.21 64.92 1khn n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1khn s LEU 37 N -2.33 4.01 -0.01 -3.43 1.43 -1.13 -4.74 118.68 112.48 1khn s LEU 37 Ca 0.00 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1khn s LEU 37 Cb 0.00 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1khn s LEU 37 CO 0.00 -0.98 -0.07 -0.55 0.23 0.00 0.00 176.35 174.98 1khn s SER 38 N 2.14 0.83 0.00 2.29 0.15 -1.26 -5.02 113.70 112.83 1khn s SER 38 Ca 0.37 -0.13 0.13 0.00 0.70 0.00 0.00 55.95 57.03 1khn s SER 38 Cb -0.11 -0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1khn s SER 38 CO 0.24 0.07 0.87 -0.90 1.20 0.00 0.00 173.24 174.71 1khn n ASP 39 N 3.08 1.91 -4.73 5.45 5.68 -1.26 -0.37 116.55 126.30 1khn n ASP 39 Ca -0.15 -1.46 -0.35 0.00 -0.50 0.00 0.00 54.79 52.33 1khn n ASP 39 Cb 0.57 0.14 0.08 0.00 -1.14 0.00 0.00 41.12 40.76 1khn n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1khn s LYS 40 N -1.27 2.39 0.42 0.11 -2.85 -1.26 -4.79 119.74 112.50 1khn s LYS 40 Ca 0.14 1.88 -0.25 0.00 -1.00 0.00 0.00 55.97 56.75 1khn s LYS 40 Cb 0.11 -1.85 -0.08 0.00 -2.06 0.00 0.00 37.83 33.95 1khn s LYS 40 CO 0.21 -1.67 1.23 -1.25 0.10 0.00 0.00 175.35 173.98 1khn s PRO 41 N -3.63 3.92 0.58 1.78 0.04 -1.26 -4.28 135.00 132.14 1khn s PRO 41 Ca 0.78 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 63.66 1khn s PRO 41 Cb -0.32 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1khn s PRO 41 CO 0.41 -0.48 1.03 0.00 0.04 0.00 0.00 177.00 178.01 1khn s ALA 42 N -1.36 2.90 -0.24 8.56 0.00 0.62 -4.97 121.76 127.27 1khn s ALA 42 Ca 0.59 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.76 1khn s ALA 42 Cb -0.34 -3.16 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1khn s ALA 42 CO 0.43 -0.65 -0.22 1.17 0.00 0.00 0.00 175.76 176.49 1khn n LYS 43 N -2.13 0.59 -4.49 0.00 4.81 0.01 -4.41 118.16 112.54 1khn n LYS 43 Ca 0.07 0.15 -0.23 0.00 -0.87 0.00 0.00 58.31 57.43 1khn n LYS 43 Cb 0.53 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 1khn n LYS 43 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1khn s ASN 44 N -6.38 2.82 -0.15 3.14 0.01 -1.21 -3.48 114.94 109.69 1khn s ASN 44 Ca -0.32 -1.36 -0.11 0.00 -0.71 0.00 0.00 52.86 50.36 1khn s ASN 44 Cb 0.09 -0.18 0.05 0.00 0.41 0.00 0.00 41.25 41.61 1khn s ASN 44 CO 0.54 -0.54 0.38 -0.63 -1.51 0.00 0.00 177.10 175.34 1khn s ILE 45 N -3.11 -0.01 -0.09 0.60 1.01 -0.81 -2.47 121.20 116.32 1khn s ILE 45 Ca 0.35 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1khn s ILE 45 Cb 0.09 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 42.03 1khn s ILE 45 CO 0.16 0.02 -0.10 -0.63 0.00 0.00 0.00 174.94 174.39 1khn s ILE 46 N 0.70 1.05 -0.22 2.92 1.01 -0.47 -0.83 121.20 125.35 1khn s ILE 46 Ca -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1khn s ILE 46 Cb -0.05 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.45 1khn s ILE 46 CO -0.05 0.35 -0.14 -0.22 0.00 0.00 0.00 174.94 174.88 1khn s LEU 47 N 1.16 2.86 -0.20 2.97 2.96 -0.51 -1.32 118.68 126.59 1khn s LEU 47 Ca -0.05 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1khn s LEU 47 Cb -0.14 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1khn s LEU 47 CO -0.02 -0.10 0.12 -0.76 -1.32 0.00 0.00 176.35 174.27 1khn s LEU 48 N 1.21 4.12 -0.07 -0.68 2.01 0.44 -0.39 118.68 125.33 1khn s LEU 48 Ca -0.02 0.18 0.04 0.00 0.01 0.00 0.00 54.13 54.35 1khn s LEU 48 Cb -0.17 -2.07 -0.00 0.00 0.01 0.00 0.00 46.19 43.96 1khn s LEU 48 CO -0.08 0.16 -0.21 -0.63 1.01 0.00 0.00 176.35 176.60 1khn s ILE 49 N 0.49 1.77 -0.34 -0.59 -1.09 0.45 -2.05 121.20 119.84 1khn s ILE 49 Ca 0.07 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 1khn s ILE 49 Cb -0.12 -1.53 0.03 0.00 -1.58 0.00 0.00 42.46 39.27 1khn s ILE 49 CO -0.01 0.50 0.12 -0.83 -1.23 0.00 0.00 174.94 173.49 1khn s GLY 50 N 0.24 1.85 -0.34 6.18 0.00 0.02 -0.68 107.32 114.59 1khn s GLY 50 Ca -0.12 -1.68 -0.28 0.00 0.00 0.00 0.00 44.72 42.64 1khn s GLY 50 CO 0.06 0.77 1.99 -0.35 0.00 0.00 0.00 173.10 175.56 1khn s ASP 51 N 1.45 5.56 0.00 1.64 -1.08 -0.29 -2.26 116.67 121.69 1khn s ASP 51 Ca -0.00 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.38 1khn s ASP 51 Cb -0.19 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1khn s ASP 51 CO 0.04 -1.97 0.00 0.61 0.52 0.00 0.00 175.17 174.37 1khn n GLY 52 N 5.61 0.55 3.39 2.66 0.00 -1.25 -0.26 105.19 115.88 1khn n GLY 52 Ca 0.26 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 1khn n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1khn s MET 53 N -1.37 4.15 0.13 1.61 1.75 -0.96 -4.08 119.30 120.52 1khn s MET 53 Ca 0.00 -2.96 -0.02 0.00 -1.25 0.00 0.00 55.69 51.47 1khn s MET 53 Cb 0.00 -4.75 0.03 0.00 2.84 0.00 0.00 34.83 32.95 1khn s MET 53 CO 0.00 -1.44 0.18 0.41 -0.65 0.00 0.00 175.02 173.52 1khn n GLY 54 N 3.27 -0.65 0.33 2.11 0.00 -1.26 -4.47 105.19 104.52 1khn n GLY 54 Ca 0.28 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 1khn n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1khn h ASP 55 N -0.21 0.90 0.45 1.61 3.45 -1.95 -1.84 116.42 118.83 1khn h ASP 55 Ca -0.06 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1khn h ASP 55 Cb 0.18 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1khn h ASP 55 CO 0.05 0.79 0.00 -1.28 -1.57 0.00 0.00 179.24 177.22 1khn h SER 56 N 0.97 0.00 0.27 6.45 0.87 -1.93 -1.65 113.55 118.54 1khn h SER 56 Ca 0.23 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.46 1khn h SER 56 Cb 0.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1khn h SER 56 CO -0.02 0.00 -1.92 -0.62 -0.53 0.00 0.00 176.83 173.73 1khn n GLU 57 N -2.42 0.69 -0.06 2.24 4.71 -0.72 -3.28 120.64 121.80 1khn n GLU 57 Ca 0.00 0.26 -0.13 0.00 -0.01 0.00 0.00 57.16 57.28 1khn n GLU 57 Cb 0.16 -1.72 -0.06 0.00 -1.01 0.00 0.00 31.44 28.80 1khn n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1khn h ILE 58 N 0.03 1.32 0.74 -3.67 2.04 -1.13 -2.75 117.51 114.09 1khn h ILE 58 Ca -0.38 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 1khn h ILE 58 Cb 2.03 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1khn h ILE 58 CO 0.07 0.37 -0.48 0.74 0.00 0.00 0.00 178.15 178.85 1khn h THR 59 N 0.08 0.04 -0.06 -0.27 2.02 -1.49 -1.28 112.91 111.94 1khn h THR 59 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1khn h THR 59 Cb 0.63 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1khn h THR 59 CO 0.03 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.10 1khn h ALA 60 N -1.05 1.39 0.06 6.16 0.00 -1.61 0.34 119.26 124.54 1khn h ALA 60 Ca -0.10 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1khn h ALA 60 Cb 0.93 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1khn h ALA 60 CO 0.08 -0.21 -1.69 0.00 0.00 0.00 0.00 179.25 177.43 1khn h ALA 61 N 1.70 0.55 0.25 0.00 0.00 -1.17 -3.13 119.26 117.46 1khn h ALA 61 Ca 0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 1khn h ALA 61 Cb 0.39 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1khn h ALA 61 CO -0.00 1.40 -0.12 -0.09 0.00 0.00 0.00 179.25 180.44 1khn h ARG 62 N 0.03 -0.32 -0.91 0.00 2.43 -0.38 0.15 114.38 115.38 1khn h ARG 62 Ca -0.29 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.15 1khn h ARG 62 Cb 2.00 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 31.49 1khn h ARG 62 CO 0.10 0.05 0.37 -0.91 -1.51 0.00 0.00 179.97 178.07 1khn h ASN 63 N -0.82 0.26 0.04 -3.80 4.21 -1.11 1.12 115.58 115.47 1khn h ASN 63 Ca -0.03 0.18 -0.13 0.00 1.21 0.00 0.00 56.30 57.52 1khn h ASN 63 Cb 0.51 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1khn h ASN 63 CO 0.06 -0.08 -0.67 0.22 -1.29 0.00 0.00 177.43 175.67 1khn h TYR 64 N 0.32 0.14 0.19 1.19 5.03 -1.57 -2.08 116.97 120.19 1khn h TYR 64 Ca 0.59 -0.10 -0.31 0.00 2.58 0.00 0.00 58.73 61.49 1khn h TYR 64 Cb 1.19 -0.01 0.02 0.00 1.55 0.00 0.00 36.73 39.49 1khn h TYR 64 CO -0.16 1.26 -1.39 0.00 -1.32 0.00 0.00 178.16 176.55 1khn h ALA 65 N -0.13 -0.01 -0.00 1.82 0.00 -0.64 -2.68 119.26 117.61 1khn h ALA 65 Ca -0.16 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1khn h ALA 65 Cb 1.29 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1khn h ALA 65 CO -0.03 0.86 -0.02 0.39 0.00 0.00 0.00 179.25 180.45 1khn n GLU 66 N -3.61 0.68 -0.39 0.00 -0.58 0.33 -4.85 120.64 112.22 1khn n GLU 66 Ca -0.13 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1khn n GLU 66 Cb 1.07 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 1khn n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1khn n GLY 67 N 0.34 -3.18 0.25 0.62 0.00 0.19 -3.51 105.19 99.91 1khn n GLY 67 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.90 1khn n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn n ALA 68 N -1.56 0.06 0.20 4.61 0.00 -1.25 0.19 120.51 122.76 1khn n ALA 68 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 53.44 54.20 1khn n ALA 68 Cb 0.09 -0.39 0.20 0.00 0.00 0.00 0.00 19.45 19.34 1khn n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1khn n GLY 69 N -1.38 1.96 0.00 0.00 0.00 -1.26 -4.85 105.19 99.65 1khn n GLY 69 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1khn n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 70 N 0.46 -1.80 3.46 -0.02 0.00 0.52 -0.87 105.19 106.93 1khn n GLY 70 Ca 0.14 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.62 1khn n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1khn s PHE 71 N -0.87 -0.61 -0.22 1.61 5.36 -1.26 -4.46 117.98 117.52 1khn s PHE 71 Ca 0.00 1.10 -0.29 0.00 -0.96 0.00 0.00 56.93 56.77 1khn s PHE 71 Cb 0.00 0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 43.03 1khn s PHE 71 CO 0.00 -0.30 1.37 -0.06 -1.46 0.00 0.00 175.22 174.76 1khn s PHE 72 N 2.13 2.59 0.23 10.12 0.08 -1.26 -4.90 117.98 126.98 1khn s PHE 72 Ca -0.04 0.81 0.31 0.00 0.12 0.00 0.00 56.93 58.13 1khn s PHE 72 Cb -0.05 -3.77 1.68 0.00 -0.57 0.00 0.00 43.02 40.31 1khn s PHE 72 CO -0.17 -2.08 1.94 -0.22 -0.10 0.00 0.00 175.22 174.59 1khn h LYS 73 N 9.14 0.00 0.00 0.44 3.11 -1.95 -2.60 116.57 124.72 1khn h LYS 73 Ca -0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1khn h LYS 73 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1khn h LYS 73 CO 1.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 178.05 1khn n GLY 74 N -1.20 -0.01 0.43 5.01 0.00 -1.26 -4.46 105.19 103.69 1khn n GLY 74 Ca -0.02 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.36 1khn n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1khn h ILE 75 N 0.00 0.09 -0.00 -0.61 2.04 -1.78 -0.09 117.51 117.16 1khn h ILE 75 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1khn h ILE 75 Cb 0.00 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1khn h ILE 75 CO 0.00 0.01 -0.76 0.47 0.00 0.00 0.00 178.15 177.88 1khn n ASP 76 N -4.82 0.95 -0.17 1.72 8.00 -0.98 -4.38 116.55 116.86 1khn n ASP 76 Ca 0.37 -0.81 0.06 0.00 0.71 0.00 0.00 54.79 55.12 1khn n ASP 76 Cb 1.40 0.67 0.27 0.00 -0.02 0.00 0.00 41.12 43.44 1khn n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1khn n ALA 77 N -1.31 2.53 -2.56 2.24 0.00 -0.05 -4.79 120.51 116.58 1khn n ALA 77 Ca 0.05 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1khn n ALA 77 Cb 0.35 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1khn n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1khn s LEU 78 N -1.28 4.28 0.15 0.00 1.43 -1.26 -4.72 118.68 117.28 1khn s LEU 78 Ca 0.18 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 1khn s LEU 78 Cb 0.09 -2.83 0.04 0.00 0.03 0.00 0.00 46.19 43.52 1khn s LEU 78 CO 0.13 -0.68 1.68 1.55 0.23 0.00 0.00 176.35 179.26 1khn h PRO 79 N 8.60 -0.04 -6.06 1.29 0.13 -1.87 -3.43 132.00 130.61 1khn h PRO 79 Ca -0.26 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 1khn h PRO 79 Cb 1.10 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1khn h PRO 79 CO 0.87 -0.03 0.04 -0.51 -0.23 0.00 0.00 178.00 178.14 1khn s LEU 80 N -10.52 4.37 0.04 1.56 2.01 -1.08 -4.91 118.68 110.15 1khn s LEU 80 Ca -0.14 1.18 -0.01 0.00 0.01 0.00 0.00 54.13 55.17 1khn s LEU 80 Cb 0.12 -3.01 -0.03 0.00 0.01 0.00 0.00 46.19 43.29 1khn s LEU 80 CO 0.69 -0.01 -0.02 0.42 1.01 0.00 0.00 176.35 178.45 1khn s THR 81 N 0.30 0.17 0.28 5.49 -4.23 -1.26 -1.61 115.64 114.79 1khn s THR 81 Ca 0.34 -1.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.29 1khn s THR 81 Cb -0.18 -0.94 0.07 0.00 1.34 0.00 0.00 72.50 72.79 1khn s THR 81 CO 0.18 -0.76 0.93 -0.83 -0.54 0.00 0.00 174.62 173.60 1khn s GLY 82 N -2.24 0.27 0.05 3.99 0.00 -0.50 -3.87 107.32 105.02 1khn s GLY 82 Ca -0.04 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.19 1khn s GLY 82 CO -0.06 1.34 -0.25 1.20 0.00 0.00 0.00 173.10 175.33 1khn s GLN 83 N -2.10 1.68 0.08 2.90 1.11 -1.04 -1.03 119.66 121.27 1khn s GLN 83 Ca 0.20 -1.09 0.03 0.00 0.01 0.00 0.00 55.36 54.51 1khn s GLN 83 Cb -0.04 -1.86 -0.03 0.00 -1.01 0.00 0.00 33.01 30.07 1khn s GLN 83 CO 0.08 0.48 -0.09 1.52 0.01 0.00 0.00 175.29 177.30 1khn s TYR 84 N -0.82 0.92 0.10 0.91 -0.85 -0.42 -2.79 117.35 114.39 1khn s TYR 84 Ca 0.11 -0.69 -0.11 0.00 -0.52 0.00 0.00 57.07 55.86 1khn s TYR 84 Cb -0.10 -0.52 -0.06 0.00 0.38 0.00 0.00 41.96 41.66 1khn s TYR 84 CO 0.02 -0.06 0.44 0.95 -1.52 0.00 0.00 175.55 175.38 1khn s THR 85 N -2.51 5.03 -0.01 -3.49 -4.23 -0.66 -2.77 115.64 107.00 1khn s THR 85 Ca 0.03 0.54 0.25 0.00 -1.18 0.00 0.00 61.69 61.33 1khn s THR 85 Cb -0.02 -3.67 0.43 0.00 1.34 0.00 0.00 72.50 70.58 1khn s THR 85 CO -0.01 0.27 1.17 0.00 -0.54 0.00 0.00 174.62 175.51 1khn n HIS 86 N 0.86 0.00 -2.08 3.99 1.44 -1.26 -0.42 115.22 117.75 1khn n HIS 86 Ca -0.07 -0.57 -0.40 0.00 -2.01 0.00 0.00 57.72 54.67 1khn n HIS 86 Cb 0.52 -0.16 -0.02 0.00 0.12 0.00 0.00 29.99 30.46 1khn n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1khn s TYR 87 N -0.23 2.98 0.00 -1.40 1.13 -1.26 -4.27 117.35 114.30 1khn s TYR 87 Ca 0.34 1.40 0.00 0.00 -1.41 0.00 0.00 57.07 57.40 1khn s TYR 87 Cb 0.39 -3.70 0.00 0.00 -1.10 0.00 0.00 41.96 37.54 1khn s TYR 87 CO -0.16 -1.98 0.00 0.00 -2.51 0.00 0.00 175.55 170.90 1khn n ALA 88 N 0.67 0.00 -2.54 9.51 0.00 0.50 -4.85 120.51 123.79 1khn n ALA 88 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1khn n ALA 88 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 1khn n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1khn s LEU 89 N 0.00 2.37 -0.22 0.00 1.43 -0.40 -0.62 118.68 121.24 1khn s LEU 89 Ca 0.00 -0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 1khn s LEU 89 Cb 0.00 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1khn s LEU 89 CO 0.00 -0.15 0.82 0.21 0.23 0.00 0.00 176.35 177.46 1khn s ASN 90 N -2.28 6.85 0.21 2.29 3.84 0.13 -3.77 114.94 122.21 1khn s ASN 90 Ca 0.06 1.06 -0.12 0.00 0.21 0.00 0.00 52.86 54.06 1khn s ASN 90 Cb -0.06 -2.44 0.26 0.00 -0.55 0.00 0.00 41.25 38.46 1khn s ASN 90 CO 0.02 -0.48 1.66 0.50 -2.79 0.00 0.00 177.10 176.02 1khn h LYS 91 N 7.59 0.08 0.00 0.43 3.64 -1.93 0.34 116.57 126.72 1khn h LYS 91 Ca -0.25 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1khn h LYS 91 Cb 1.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1khn h LYS 91 CO 0.86 0.05 0.00 1.63 -2.27 0.00 0.00 179.45 179.72 1khn n LYS 92 N -5.31 0.00 0.08 1.90 5.02 -1.26 -4.28 118.16 114.32 1khn n LYS 92 Ca 0.08 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 1khn n LYS 92 Cb 0.33 -0.88 0.47 0.00 -0.02 0.00 0.00 35.03 34.93 1khn n LYS 92 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1khn h THR 93 N 0.00 1.09 0.00 -0.18 1.35 -2.00 -3.46 112.91 109.71 1khn h THR 93 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1khn h THR 93 Cb 0.00 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1khn h THR 93 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1khn n GLY 94 N -1.38 0.39 3.87 5.82 0.00 0.12 -5.01 105.19 109.01 1khn n GLY 94 Ca 0.01 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1khn n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s LYS 95 N -1.86 3.81 0.45 1.61 -0.14 -1.25 -4.76 119.74 117.60 1khn s LYS 95 Ca 0.00 0.48 -0.24 0.00 -1.36 0.00 0.00 55.97 54.85 1khn s LYS 95 Cb 0.00 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.67 1khn s LYS 95 CO 0.00 0.01 1.24 -2.14 -0.76 0.00 0.00 175.35 173.70 1khn s PRO 96 N -3.69 3.75 -0.34 -1.68 0.02 -1.26 0.21 135.00 132.00 1khn s PRO 96 Ca 0.51 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.52 1khn s PRO 96 Cb -0.10 -2.52 0.08 0.00 0.02 0.00 0.00 34.50 31.97 1khn s PRO 96 CO 0.29 -0.62 0.06 0.34 -0.33 0.00 0.00 177.00 176.74 1khn s ASP 97 N -1.06 4.91 0.63 2.53 2.15 0.21 -4.62 116.67 121.42 1khn s ASP 97 Ca 0.62 -1.73 0.33 0.00 0.43 0.00 0.00 52.55 52.20 1khn s ASP 97 Cb -0.34 -1.70 1.78 0.00 -0.30 0.00 0.00 42.92 42.35 1khn s ASP 97 CO 0.42 -0.36 2.00 1.88 -0.17 0.00 0.00 175.17 178.93 1khn h TYR 98 N 7.89 0.00 -3.70 -5.34 0.05 -1.94 0.14 116.97 114.07 1khn h TYR 98 Ca -0.14 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.98 1khn h TYR 98 Cb 1.04 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.39 1khn h TYR 98 CO 0.56 0.00 -0.74 0.08 -1.05 0.00 0.00 178.16 177.01 1khn s VAL 99 N -4.04 2.18 0.73 -2.88 1.01 -1.26 -4.35 120.40 111.79 1khn s VAL 99 Ca -0.04 -2.14 -0.11 0.00 0.00 0.00 0.00 61.98 59.69 1khn s VAL 99 Cb 0.09 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1khn s VAL 99 CO 0.30 -0.48 1.10 0.28 0.00 0.00 0.00 175.10 176.30 1khn s THR 100 N 0.98 3.32 0.10 3.92 -1.32 -1.26 -4.76 115.64 116.63 1khn s THR 100 Ca 0.07 0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.99 1khn s THR 100 Cb -0.19 -3.36 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 1khn s THR 100 CO -0.08 -0.56 0.10 -0.90 -2.21 0.00 0.00 174.62 170.97 1khn n ASP 101 N -3.12 0.97 0.15 8.08 3.85 -1.26 -4.90 116.55 120.32 1khn n ASP 101 Ca 0.07 -1.32 0.00 0.00 -0.71 0.00 0.00 54.79 52.84 1khn n ASP 101 Cb 0.57 -0.03 0.26 0.00 -1.35 0.00 0.00 41.12 40.57 1khn n ASP 101 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1khn h SER 102 N 0.08 0.04 0.00 -1.12 0.02 -1.98 -3.12 113.55 107.47 1khn h SER 102 Ca -0.06 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1khn h SER 102 Cb 0.23 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1khn h SER 102 CO 0.09 0.52 -0.14 0.00 -1.14 0.00 0.00 176.83 176.16 1khn h ALA 103 N 1.49 0.03 -0.95 3.77 0.00 -1.88 -2.44 119.26 119.27 1khn h ALA 103 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1khn h ALA 103 Cb 0.86 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1khn h ALA 103 CO 0.06 0.08 0.62 0.00 0.00 0.00 0.00 179.25 180.01 1khn h ALA 104 N -0.27 1.29 -0.11 0.00 0.00 -1.68 0.06 119.26 118.55 1khn h ALA 104 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1khn h ALA 104 Cb 0.82 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1khn h ALA 104 CO -0.02 0.45 -0.04 0.66 0.00 0.00 0.00 179.25 180.30 1khn h SER 105 N 1.16 0.23 -0.97 0.00 4.64 -1.69 -2.14 113.55 114.79 1khn h SER 105 Ca 0.39 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1khn h SER 105 Cb 0.07 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 1khn h SER 105 CO -0.14 0.58 0.64 0.00 -0.87 0.00 0.00 176.83 177.03 1khn h ALA 106 N 0.66 1.23 -0.67 5.18 0.00 -1.10 -2.53 119.26 122.03 1khn h ALA 106 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1khn h ALA 106 Cb 0.48 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1khn h ALA 106 CO 0.01 0.63 0.22 1.15 0.00 0.00 0.00 179.25 181.27 1khn h THR 107 N 1.32 1.24 -0.41 0.00 2.02 -0.95 -2.95 112.91 113.19 1khn h THR 107 Ca 0.36 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1khn h THR 107 Cb -0.15 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1khn h THR 107 CO -0.08 0.32 0.08 0.00 0.37 0.00 0.00 175.52 176.22 1khn h ALA 108 N 1.25 1.39 0.00 6.16 0.00 -0.94 0.51 119.26 127.63 1khn h ALA 108 Ca 0.22 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1khn h ALA 108 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1khn h ALA 108 CO -0.01 0.44 -1.14 0.11 0.00 0.00 0.00 179.25 178.65 1khn h TRP 109 N 0.59 0.00 0.00 0.00 0.09 -1.51 -1.84 115.95 113.28 1khn h TRP 109 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.11 1khn h TRP 109 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.49 1khn h TRP 109 CO 0.01 0.24 -1.05 -1.13 0.09 0.00 0.00 178.44 176.61 1khn n SER 110 N -2.78 0.75 -0.05 0.11 3.41 -1.12 -3.30 113.62 110.64 1khn n SER 110 Ca -0.04 0.24 -0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1khn n SER 110 Cb 0.67 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 65.14 1khn n SER 110 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1khn n THR 111 N -2.53 0.53 -0.23 6.66 -1.04 0.16 -0.48 114.28 117.35 1khn n THR 111 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1khn n THR 111 Cb 0.53 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1khn n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1khn n GLY 112 N 2.95 0.81 3.05 3.41 0.00 -0.69 -4.92 105.19 109.79 1khn n GLY 112 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1khn n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s VAL 113 N -2.13 0.88 1.11 1.61 0.11 -1.26 -4.92 120.40 115.81 1khn s VAL 113 Ca 0.00 -0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 1khn s VAL 113 Cb 0.00 -0.75 0.24 0.00 -1.53 0.00 0.00 36.38 34.34 1khn s VAL 113 CO 0.00 0.26 1.08 -0.54 -3.33 0.00 0.00 175.10 172.56 1khn s LYS 114 N -0.11 -0.43 0.07 1.54 -0.14 -1.26 -4.14 119.74 115.27 1khn s LYS 114 Ca 0.02 0.40 -0.27 0.00 -1.36 0.00 0.00 55.97 54.75 1khn s LYS 114 Cb -0.06 -1.65 0.09 0.00 -1.68 0.00 0.00 37.83 34.54 1khn s LYS 114 CO -0.00 -3.28 1.14 -0.08 -0.76 0.00 0.00 175.35 172.36 1khn s THR 115 N -2.85 0.00 0.64 2.17 -1.32 -1.26 -4.42 115.64 108.60 1khn s THR 115 Ca 0.67 -0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 60.61 1khn s THR 115 Cb -0.18 -2.19 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1khn s THR 115 CO 0.59 0.00 1.04 -0.72 -2.21 0.00 0.00 174.62 173.31 1khn s TYR 116 N -2.68 3.49 -0.08 9.09 1.13 -1.25 -1.28 117.35 125.77 1khn s TYR 116 Ca 0.16 1.33 -0.30 0.00 -1.41 0.00 0.00 57.07 56.85 1khn s TYR 116 Cb 0.01 -2.77 -0.04 0.00 -1.10 0.00 0.00 41.96 38.07 1khn s TYR 116 CO -0.00 -0.84 1.39 -0.80 -2.51 0.00 0.00 175.55 172.79 1khn s ASN 117 N -4.06 6.86 0.00 -0.18 0.01 -1.26 -2.54 114.94 113.77 1khn s ASN 117 Ca 0.56 1.96 0.00 0.00 -0.71 0.00 0.00 52.86 54.66 1khn s ASN 117 Cb -0.12 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1khn s ASN 117 CO 0.54 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.97 1khn n GLY 118 N 3.73 1.75 3.74 0.66 0.00 -1.26 -4.97 105.19 108.84 1khn n GLY 118 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1khn n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn s ALA 119 N -1.57 3.31 -0.24 4.61 0.00 -1.05 0.34 121.76 127.16 1khn s ALA 119 Ca 0.00 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1khn s ALA 119 Cb 0.00 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.91 1khn s ALA 119 CO 0.00 0.06 -0.14 -0.51 0.00 0.00 0.00 175.76 175.17 1khn s LEU 120 N -0.63 3.04 -1.06 0.00 1.43 -1.14 -3.83 118.68 116.49 1khn s LEU 120 Ca 0.44 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1khn s LEU 120 Cb -0.25 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1khn s LEU 120 CO 0.32 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1khn n GLY 121 N 4.49 1.12 2.96 -3.19 0.00 -1.24 0.38 105.19 109.71 1khn n GLY 121 Ca -0.16 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1khn n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1khn s VAL 122 N -2.27 0.33 0.66 1.61 -7.23 -1.26 -2.88 120.40 109.35 1khn s VAL 122 Ca 0.00 -0.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 1khn s VAL 122 Cb 0.00 -0.32 0.16 0.00 0.56 0.00 0.00 36.38 36.78 1khn s VAL 122 CO 0.00 -0.05 0.74 -0.90 -0.31 0.00 0.00 175.10 174.58 1khn n ASP 123 N 2.59 -0.73 0.16 4.85 5.75 -0.62 -4.76 116.55 123.79 1khn n ASP 123 Ca -0.15 -1.11 0.12 0.00 -0.01 0.00 0.00 54.79 53.64 1khn n ASP 123 Cb 0.58 -0.61 0.57 0.00 -1.03 0.00 0.00 41.12 40.62 1khn n ASP 123 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1khn h ILE 124 N -1.83 0.00 -0.11 2.12 3.07 -1.91 -1.59 117.51 117.26 1khn h ILE 124 Ca -0.26 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1khn h ILE 124 Cb 0.74 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1khn h ILE 124 CO 0.17 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.68 1khn n HIS 125 N -2.34 0.14 -1.14 0.16 8.25 -1.26 -4.90 115.22 114.14 1khn n HIS 125 Ca 0.01 -0.07 -0.05 0.00 -0.26 0.00 0.00 57.72 57.35 1khn n HIS 125 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1khn n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1khn n GLU 126 N 0.10 -0.81 -3.12 -0.41 1.02 -0.60 -4.99 120.64 111.82 1khn n GLU 126 Ca 0.17 0.52 -0.39 0.00 -0.02 0.00 0.00 57.16 57.44 1khn n GLU 126 Cb 0.29 -4.33 -0.06 0.00 -0.02 0.00 0.00 31.44 27.33 1khn n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1khn s LYS 127 N -1.83 4.38 0.27 3.49 2.20 -1.26 -4.82 119.74 122.16 1khn s LYS 127 Ca 0.00 0.92 -0.23 0.00 -0.36 0.00 0.00 55.97 56.30 1khn s LYS 127 Cb 0.00 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 1khn s LYS 127 CO 0.00 0.51 0.84 -0.51 -0.36 0.00 0.00 175.35 175.82 1khn s ASP 128 N -0.77 7.22 0.07 1.43 1.11 -1.26 -1.59 116.67 122.88 1khn s ASP 128 Ca 0.33 1.64 0.05 0.00 0.18 0.00 0.00 52.55 54.75 1khn s ASP 128 Cb -0.20 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 1khn s ASP 128 CO 0.21 -0.00 -0.14 -1.00 1.18 0.00 0.00 175.17 175.42 1khn s HIS 129 N -1.54 1.18 0.37 4.23 3.76 -1.14 -4.97 115.29 117.17 1khn s HIS 129 Ca 0.46 -0.45 -0.25 0.00 -0.15 0.00 0.00 55.06 54.67 1khn s HIS 129 Cb -0.18 -0.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.74 1khn s HIS 129 CO 0.23 0.05 0.99 -1.25 -0.85 0.00 0.00 174.74 173.90 1khn s PRO 130 N -1.66 4.38 0.62 8.40 0.04 -1.26 -4.84 135.00 140.68 1khn s PRO 130 Ca -0.02 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1khn s PRO 130 Cb -0.10 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1khn s PRO 130 CO 0.02 0.08 0.94 0.95 0.04 0.00 0.00 177.00 179.03 1khn s THR 131 N -1.71 3.48 0.15 1.26 -4.23 -1.25 -4.48 115.64 108.86 1khn s THR 131 Ca 0.55 0.04 0.35 0.00 -1.18 0.00 0.00 61.69 61.44 1khn s THR 131 Cb -0.19 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 70.64 1khn s THR 131 CO 0.24 -0.44 2.03 -0.29 -0.54 0.00 0.00 174.62 175.62 1khn h ILE 132 N -0.29 0.00 -0.24 2.99 2.10 -1.09 -1.92 117.51 119.06 1khn h ILE 132 Ca -0.45 -0.43 -0.20 0.00 1.08 0.00 0.00 64.86 64.86 1khn h ILE 132 Cb 1.26 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1khn h ILE 132 CO 0.61 0.00 -0.63 0.25 -1.08 0.00 0.00 178.15 177.30 1khn h LEU 133 N 0.00 0.96 0.08 2.19 6.46 -1.86 -1.08 115.31 122.06 1khn h LEU 133 Ca 0.00 -0.57 -0.00 0.00 -0.12 0.00 0.00 57.88 57.19 1khn h LEU 133 Cb 0.43 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1khn h LEU 133 CO 0.00 1.36 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.81 1khn h GLU 134 N 0.61 -0.10 -0.22 1.25 5.08 -1.58 -0.92 114.58 118.71 1khn h GLU 134 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1khn h GLU 134 Cb 1.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1khn h GLU 134 CO 0.14 0.17 0.10 0.52 -1.00 0.00 0.00 179.01 178.94 1khn h MET 135 N -0.37 0.30 0.67 2.33 2.86 -1.47 -1.75 114.93 117.50 1khn h MET 135 Ca -0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1khn h MET 135 Cb 0.32 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1khn h MET 135 CO 0.02 0.24 -0.32 0.00 1.06 0.00 0.00 176.91 177.90 1khn h ALA 136 N 1.82 -1.07 -0.88 6.32 0.00 -0.87 -2.58 119.26 122.00 1khn h ALA 136 Ca 0.08 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.01 1khn h ALA 136 Cb 0.04 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 1khn h ALA 136 CO -0.01 -1.01 0.35 0.87 0.00 0.00 0.00 179.25 179.45 1khn h LYS 137 N -1.04 0.34 -0.56 0.00 1.57 -0.77 0.21 116.57 116.31 1khn h LYS 137 Ca -0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1khn h LYS 137 Cb 0.69 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1khn h LYS 137 CO 0.15 0.22 0.37 0.00 -0.57 0.00 0.00 179.45 179.62 1khn h ALA 138 N 1.72 0.72 0.00 3.86 0.00 -1.34 -2.41 119.26 121.81 1khn h ALA 138 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1khn h ALA 138 Cb 1.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1khn h ALA 138 CO -0.55 0.13 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1khn n ALA 139 N -2.26 1.48 0.00 0.00 0.00 0.04 -4.87 120.51 114.91 1khn n ALA 139 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1khn n ALA 139 Cb 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1khn n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1khn n GLY 140 N -0.39 2.11 3.62 0.00 0.00 -0.91 -5.09 105.19 104.53 1khn n GLY 140 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1khn n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1khn n LEU 141 N 0.00 3.06 -4.87 0.99 4.32 -1.21 -4.89 117.00 114.40 1khn n LEU 141 Ca 0.00 0.49 -0.30 0.00 -0.02 0.00 0.00 56.01 56.18 1khn n LEU 141 Cb 0.00 -1.43 -0.03 0.00 -1.62 0.00 0.00 43.42 40.34 1khn n LEU 141 CO 0.00 -2.26 0.44 0.00 -1.22 0.00 0.00 177.39 174.35 1khn s ALA 142 N -2.32 3.35 0.03 -1.18 0.00 -0.86 -4.25 121.76 116.53 1khn s ALA 142 Ca 0.68 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1khn s ALA 142 Cb -0.26 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1khn s ALA 142 CO 0.56 0.01 -0.11 0.95 0.00 0.00 0.00 175.76 177.18 1khn s THR 143 N -2.34 0.82 0.02 0.00 -4.23 -1.26 -1.18 115.64 107.48 1khn s THR 143 Ca 0.51 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1khn s THR 143 Cb -0.10 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 1khn s THR 143 CO 0.30 -0.07 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.46 1khn s GLY 144 N -1.03 0.27 -0.20 3.99 0.00 0.57 -1.84 107.32 109.08 1khn s GLY 144 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 1khn s GLY 144 CO 0.01 -0.76 0.19 0.21 0.00 0.00 0.00 173.10 172.75 1khn s ASN 145 N -1.71 1.63 0.05 1.64 2.47 0.26 -2.16 114.94 117.13 1khn s ASN 145 Ca -0.12 -0.33 0.07 0.00 0.42 0.00 0.00 52.86 52.90 1khn s ASN 145 Cb -0.07 0.22 -0.03 0.00 -1.45 0.00 0.00 41.25 39.93 1khn s ASN 145 CO -0.02 -0.33 -0.21 0.68 -3.72 0.00 0.00 177.10 173.49 1khn s VAL 146 N 2.28 1.67 0.14 -5.21 -7.23 0.27 -1.24 120.40 111.08 1khn s VAL 146 Ca 0.06 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1khn s VAL 146 Cb -0.16 -1.46 0.07 0.00 0.56 0.00 0.00 36.38 35.39 1khn s VAL 146 CO -0.12 0.16 0.71 -0.55 -0.31 0.00 0.00 175.10 175.00 1khn s SER 147 N -1.30 -0.44 0.00 4.85 0.15 -0.39 -1.69 113.70 114.87 1khn s SER 147 Ca 0.07 -0.12 0.24 0.00 0.70 0.00 0.00 55.95 56.84 1khn s SER 147 Cb -0.09 0.56 0.22 0.00 -1.71 0.00 0.00 66.02 65.00 1khn s SER 147 CO 0.02 -0.94 1.23 0.35 1.20 0.00 0.00 173.24 175.10 1khn n THR 148 N -0.37 0.00 -2.61 6.45 -2.24 -1.13 -3.80 114.28 110.58 1khn n THR 148 Ca -0.12 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 1khn n THR 148 Cb 0.63 0.98 0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1khn n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1khn s ALA 149 N -2.50 3.84 0.19 6.98 0.00 -1.26 -0.55 121.76 128.47 1khn s ALA 149 Ca 0.20 -1.38 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 1khn s ALA 149 Cb 0.18 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 1khn s ALA 149 CO 0.57 -0.88 1.49 -1.83 0.00 0.00 0.00 175.76 175.10 1khn s GLU 150 N -4.84 4.25 0.62 0.00 -1.05 -1.25 -1.78 118.70 114.65 1khn s GLU 150 Ca 0.59 2.29 0.23 0.00 -0.15 0.00 0.00 54.97 57.94 1khn s GLU 150 Cb -0.10 -3.15 1.07 0.00 -0.44 0.00 0.00 34.13 31.51 1khn s GLU 150 CO 0.40 -0.50 1.55 -0.07 0.95 0.00 0.00 175.26 177.58 1khn h LEU 151 N 6.06 0.00 -0.01 1.83 -0.00 -1.24 0.19 115.31 122.14 1khn h LEU 151 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1khn h LEU 151 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1khn h LEU 151 CO 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 179.24 1khn n GLN 152 N -3.20 0.09 -1.67 1.13 3.00 -1.26 -3.61 117.38 111.85 1khn n GLN 152 Ca 0.10 -0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1khn n GLN 152 Cb 0.97 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.78 1khn n GLN 152 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1khn s HIS 153 N -2.92 2.09 0.25 1.08 2.46 0.65 -4.73 115.29 114.17 1khn s HIS 153 Ca 0.16 1.52 -0.09 0.00 0.47 0.00 0.00 55.06 57.13 1khn s HIS 153 Cb 0.19 -3.61 0.40 0.00 -0.13 0.00 0.00 32.58 29.43 1khn s HIS 153 CO 0.53 -2.77 1.60 0.00 -2.47 0.00 0.00 174.74 171.63 1khn h ALA 154 N 0.32 0.64 -0.05 1.58 0.00 -1.89 -1.99 119.26 117.88 1khn h ALA 154 Ca -0.50 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1khn h ALA 154 Cb 1.32 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1khn h ALA 154 CO 0.52 -0.42 0.02 1.15 0.00 0.00 0.00 179.25 180.52 1khn h THR 155 N 0.02 1.15 -0.05 0.00 2.02 -1.91 0.11 112.91 114.25 1khn h THR 155 Ca 0.41 -0.44 -0.21 0.00 0.77 0.00 0.00 66.41 66.95 1khn h THR 155 Cb 0.67 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1khn h THR 155 CO -0.81 0.12 -0.84 1.55 0.37 0.00 0.00 175.52 175.91 1khn h PRO 156 N -0.09 0.45 -0.66 6.66 0.13 -1.81 -3.33 132.00 133.34 1khn h PRO 156 Ca 0.02 -0.43 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1khn h PRO 156 Cb 0.18 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.38 1khn h PRO 156 CO -0.00 1.07 0.23 0.00 -0.23 0.00 0.00 178.00 179.07 1khn h ALA 157 N 0.79 1.16 0.00 -0.56 0.00 -1.29 -3.08 119.26 116.29 1khn h ALA 157 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1khn h ALA 157 Cb 1.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1khn h ALA 157 CO 0.15 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1khn n ALA 158 N -2.45 1.35 -0.01 0.00 0.00 0.37 -1.14 120.51 118.63 1khn n ALA 158 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1khn n ALA 158 Cb 0.20 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 1khn n ALA 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1khn n LEU 159 N -0.86 0.00 0.00 0.00 4.77 -1.16 -4.66 117.00 115.08 1khn n LEU 159 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1khn n LEU 159 Cb 0.00 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1khn n LEU 159 CO 0.00 0.03 0.39 1.33 -1.33 0.00 0.00 177.39 177.82 1khn n VAL 160 N -2.01 0.62 -3.78 4.08 0.24 -0.29 -4.43 118.33 112.76 1khn n VAL 160 Ca -0.04 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.34 61.40 1khn n VAL 160 Cb 0.40 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 1khn n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1khn s ALA 161 N -0.62 -0.68 -0.20 2.33 0.00 -0.85 -3.88 121.76 117.86 1khn s ALA 161 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1khn s ALA 161 Cb 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1khn s ALA 161 CO 0.00 -0.18 -0.09 -1.01 0.00 0.00 0.00 175.76 174.48 1khn s HIS 162 N -0.43 2.39 0.25 0.00 0.09 -1.25 -3.70 115.29 112.63 1khn s HIS 162 Ca -0.05 -1.60 -0.05 0.00 -0.00 0.00 0.00 55.06 53.35 1khn s HIS 162 Cb -0.04 -1.62 -0.02 0.00 -0.00 0.00 0.00 32.58 30.91 1khn s HIS 162 CO 0.02 -0.74 0.33 0.08 -0.00 0.00 0.00 174.74 174.42 1khn s VAL 163 N 1.40 0.00 -0.40 -0.90 1.01 0.16 -4.93 120.40 116.74 1khn s VAL 163 Ca -0.02 -1.71 0.20 0.00 0.00 0.00 0.00 61.98 60.45 1khn s VAL 163 Cb -0.17 -2.40 -0.27 0.00 0.00 0.00 0.00 36.38 33.54 1khn s VAL 163 CO -0.08 0.00 0.60 0.35 0.00 0.00 0.00 175.10 175.98 1khn n THR 164 N -0.38 0.00 -3.71 3.92 -2.24 -1.26 -2.90 114.28 107.71 1khn n THR 164 Ca 0.01 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1khn n THR 164 Cb 0.64 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.17 1khn n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1khn s SER 165 N -3.73 -0.08 0.26 3.42 0.15 -1.25 -4.26 113.70 108.22 1khn s SER 165 Ca -0.01 0.57 0.14 0.00 0.70 0.00 0.00 55.95 57.34 1khn s SER 165 Cb 0.14 0.52 0.78 0.00 -1.71 0.00 0.00 66.02 65.74 1khn s SER 165 CO 0.83 -0.19 1.38 -2.11 1.20 0.00 0.00 173.24 174.35 1khn n ARG 166 N 4.59 0.09 0.00 5.44 1.85 0.15 -1.69 116.66 127.10 1khn n ARG 166 Ca -0.19 0.57 0.13 0.00 -1.00 0.00 0.00 57.85 57.36 1khn n ARG 166 Cb 0.52 -1.94 0.67 0.00 -1.05 0.00 0.00 32.46 30.66 1khn n ARG 166 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1khn n LYS 167 N -2.02 0.34 -1.92 2.89 5.02 -1.26 -4.38 118.16 116.82 1khn n LYS 167 Ca -0.01 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1khn n LYS 167 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1khn n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1khn h TYR 169 N 5.20 -0.67 -3.86 0.00 -1.99 -1.88 -1.63 116.97 112.14 1khn h TYR 169 Ca 0.63 -0.02 -0.26 0.00 2.00 0.00 0.00 58.73 61.08 1khn h TYR 169 Cb 0.44 0.22 -0.06 0.00 2.00 0.00 0.00 36.73 39.33 1khn h TYR 169 CO 1.54 -0.39 -0.22 0.41 -0.00 0.00 0.00 178.16 179.49 1khn n GLY 170 N -1.24 3.69 0.33 3.88 0.00 -1.26 -1.60 105.19 108.98 1khn n GLY 170 Ca -0.12 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 1khn n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1khn h PRO 171 N 0.00 -0.15 -1.03 1.61 0.11 -1.91 -1.92 132.00 128.71 1khn h PRO 171 Ca -0.15 0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.24 1khn h PRO 171 Cb 0.58 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.60 1khn h PRO 171 CO 0.24 -0.10 0.62 1.03 -0.21 0.00 0.00 178.00 179.58 1khn h SER 172 N -0.16 0.58 0.35 -2.05 0.87 -1.97 -2.46 113.55 108.70 1khn h SER 172 Ca 0.23 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1khn h SER 172 Cb 0.54 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1khn h SER 172 CO -0.64 0.05 -1.71 0.00 -0.53 0.00 0.00 176.83 174.00 1khn n ALA 173 N -2.36 2.49 0.07 6.23 0.00 -0.90 -4.26 120.51 121.80 1khn n ALA 173 Ca 0.28 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1khn n ALA 173 Cb 0.85 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 19.54 1khn n ALA 173 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1khn h THR 174 N 0.00 1.42 0.00 0.00 2.02 -0.91 -1.11 112.91 114.33 1khn h THR 174 Ca -0.08 -2.22 -0.04 0.00 0.77 0.00 0.00 66.41 64.85 1khn h THR 174 Cb 1.20 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.78 1khn h THR 174 CO 0.01 0.66 -0.18 0.28 0.37 0.00 0.00 175.52 176.65 1khn h SER 175 N 0.18 0.00 0.11 4.18 0.02 -1.66 -0.35 113.55 116.03 1khn h SER 175 Ca -0.02 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.56 1khn h SER 175 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1khn h SER 175 CO 0.11 0.18 -2.16 0.00 -1.14 0.00 0.00 176.83 173.82 1khn n GLN 176 N -4.00 0.71 -0.01 3.45 6.02 -1.15 -4.25 117.38 118.15 1khn n GLN 176 Ca -0.02 0.21 0.04 0.00 -0.01 0.00 0.00 57.00 57.22 1khn n GLN 176 Cb 0.26 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.79 1khn n GLN 176 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1khn n LYS 177 N -3.31 0.68 -3.26 -1.09 5.02 -0.43 -4.68 118.16 111.09 1khn n LYS 177 Ca -0.35 -0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 55.59 1khn n LYS 177 Cb 1.04 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.68 1khn n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1khn h PRO 179 N 3.98 1.19 0.00 0.00 0.11 -1.61 -0.39 132.00 135.28 1khn h PRO 179 Ca 0.11 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1khn h PRO 179 Cb 0.81 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1khn h PRO 179 CO 0.59 0.79 0.00 0.78 -0.21 0.00 0.00 178.00 179.95 1khn h GLY 180 N 1.23 0.00 0.00 -0.55 0.00 -1.89 -2.11 103.07 99.75 1khn h GLY 180 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1khn h GLY 180 CO -0.13 0.00 -0.82 0.70 0.00 0.00 0.00 176.54 176.29 1khn n ASN 181 N -2.79 0.80 -4.65 0.19 4.13 -0.73 -3.93 115.26 108.29 1khn n ASN 181 Ca 0.01 -0.88 -0.48 0.00 1.68 0.00 0.00 54.58 54.91 1khn n ASN 181 Cb 0.25 1.02 -0.05 0.00 -1.54 0.00 0.00 39.78 39.46 1khn n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1khn n ALA 182 N -1.42 0.59 -0.13 5.41 0.00 -0.23 -0.38 120.51 124.35 1khn n ALA 182 Ca 0.03 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.89 1khn n ALA 182 Cb 0.27 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 17.48 1khn n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1khn h LEU 183 N 5.73 -0.08 -0.19 0.00 5.85 -1.88 0.15 115.31 124.89 1khn h LEU 183 Ca -0.46 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1khn h LEU 183 Cb 1.28 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1khn h LEU 183 CO 0.86 -0.01 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.33 1khn h GLU 184 N 0.16 -0.32 -1.36 1.25 3.07 -1.88 -1.10 114.58 114.40 1khn h GLU 184 Ca 0.20 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1khn h GLU 184 Cb 0.27 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1khn h GLU 184 CO -0.30 -0.21 0.00 1.63 -1.40 0.00 0.00 179.01 178.73 1khn n LYS 185 N -5.40 0.63 -2.23 2.33 5.02 -0.94 -4.72 118.16 112.86 1khn n LYS 185 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1khn n LYS 185 Cb 0.31 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 1khn n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khn n GLY 186 N 0.68 -0.13 3.86 0.72 0.00 -0.42 -4.82 105.19 105.08 1khn n GLY 186 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1khn n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1khn s GLY 187 N -2.43 1.69 0.53 -0.02 0.00 0.49 -4.96 107.32 102.64 1khn s GLY 187 Ca 0.00 -1.59 0.24 0.00 0.00 0.00 0.00 44.72 43.37 1khn s GLY 187 CO 0.00 -1.54 2.14 0.50 0.00 0.00 0.00 173.10 174.20 1khn h LYS 188 N 1.26 0.00 0.00 2.90 1.57 -1.80 -3.33 116.57 117.17 1khn h LYS 188 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1khn h LYS 188 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1khn h LYS 188 CO 0.58 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 1khn n GLY 189 N -1.12 2.08 3.61 3.86 0.00 0.49 -4.59 105.19 109.51 1khn n GLY 189 Ca -0.03 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 1khn n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khn s SER 190 N 0.00 2.22 0.15 1.61 1.04 -1.26 -4.61 113.70 112.84 1khn s SER 190 Ca 0.00 1.73 -0.23 0.00 0.48 0.00 0.00 55.95 57.93 1khn s SER 190 Cb 0.00 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1khn s SER 190 CO 0.00 -3.46 1.62 0.40 0.98 0.00 0.00 173.24 172.78 1khn h ILE 191 N -2.12 0.35 -0.58 -1.02 2.04 -1.16 0.11 117.51 115.14 1khn h ILE 191 Ca -0.53 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.43 1khn h ILE 191 Cb 1.30 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1khn h ILE 191 CO 0.49 0.00 0.16 0.74 0.00 0.00 0.00 178.15 179.53 1khn h THR 192 N -0.27 0.70 -0.69 -0.27 2.02 -1.56 0.22 112.91 113.05 1khn h THR 192 Ca 0.14 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 1khn h THR 192 Cb 0.49 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1khn h THR 192 CO -0.41 0.06 0.14 -0.33 0.37 0.00 0.00 175.52 175.34 1khn h GLU 193 N 0.30 1.13 0.00 6.66 5.08 -1.61 -0.66 114.58 125.49 1khn h GLU 193 Ca 0.30 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1khn h GLU 193 Cb 0.41 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1khn h GLU 193 CO -0.35 1.01 -0.51 1.96 -1.00 0.00 0.00 179.01 180.13 1khn h GLN 194 N 1.06 0.00 -0.11 2.33 4.20 -0.19 -2.27 115.11 120.13 1khn h GLN 194 Ca 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1khn h GLN 194 Cb 0.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1khn h GLN 194 CO 0.01 0.51 0.00 1.25 -0.67 0.00 0.00 178.83 179.93 1khn h LEU 195 N 0.00 0.19 -2.45 1.46 6.46 -0.03 -0.53 115.31 120.40 1khn h LEU 195 Ca -0.01 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1khn h LEU 195 Cb 1.09 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1khn h LEU 195 CO 0.07 0.44 -0.03 0.25 -0.62 0.00 0.00 178.44 178.55 1khn h LEU 196 N -0.07 0.00 0.07 2.25 5.85 -1.03 -2.60 115.31 119.77 1khn h LEU 196 Ca 0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1khn h LEU 196 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1khn h LEU 196 CO 0.00 0.03 -0.84 0.78 -0.34 0.00 0.00 178.44 178.07 1khn h ASN 197 N 0.00 0.22 -0.94 1.25 2.35 -0.97 -3.33 115.58 114.16 1khn h ASN 197 Ca -0.00 -0.86 0.19 0.00 -0.55 0.00 0.00 56.30 55.09 1khn h ASN 197 Cb 0.10 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.29 1khn h ASN 197 CO 0.00 1.36 0.51 0.00 -1.65 0.00 0.00 177.43 177.66 1khn h ALA 198 N -0.09 1.53 -5.78 -0.83 0.00 -0.73 -3.46 119.26 109.89 1khn h ALA 198 Ca -0.19 0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1khn h ALA 198 Cb 1.43 -0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.36 1khn h ALA 198 CO 0.01 -0.15 -0.86 -2.13 0.00 0.00 0.00 179.25 176.12 1khn n ARG 199 N -4.87 -3.02 -2.19 0.00 0.63 -1.07 -4.96 116.66 101.19 1khn n ARG 199 Ca 0.22 0.72 -0.36 0.00 -0.92 0.00 0.00 57.85 57.51 1khn n ARG 199 Cb 0.57 -5.30 0.01 0.00 0.45 0.00 0.00 32.46 28.19 1khn n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1khn s ALA 200 N -3.45 2.68 0.13 5.13 0.00 -1.26 -4.94 121.76 120.05 1khn s ALA 200 Ca 0.32 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 1khn s ALA 200 Cb -0.07 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1khn s ALA 200 CO 0.78 -0.87 1.69 -0.44 0.00 0.00 0.00 175.76 176.92 1khn h ASP 201 N 1.20 -0.30 -3.22 0.00 3.32 -1.67 -3.42 116.42 112.32 1khn h ASP 201 Ca -0.50 0.08 -0.65 0.00 0.02 0.00 0.00 57.03 55.98 1khn h ASP 201 Cb 1.27 0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.65 1khn h ASP 201 CO 0.57 -0.12 -0.86 -0.69 -1.72 0.00 0.00 179.24 176.42 1khn s VAL 202 N -6.19 1.88 -0.11 -1.35 1.01 -0.91 -0.17 120.40 114.55 1khn s VAL 202 Ca -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1khn s VAL 202 Cb 0.11 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1khn s VAL 202 CO 0.69 0.52 0.06 -0.89 0.00 0.00 0.00 175.10 175.47 1khn s THR 203 N 0.86 0.03 -0.01 3.92 2.01 -0.41 -0.58 115.64 121.46 1khn s THR 203 Ca -0.07 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1khn s THR 203 Cb -0.15 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 1khn s THR 203 CO -0.02 -0.04 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.04 1khn s LEU 204 N 2.10 1.90 0.00 4.42 1.43 -0.37 -0.82 118.68 127.35 1khn s LEU 204 Ca 0.03 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1khn s LEU 204 Cb -0.14 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1khn s LEU 204 CO -0.06 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1khn n GLY 205 N 3.08 -0.56 0.00 -3.19 0.00 -0.79 -1.27 105.19 102.46 1khn n GLY 205 Ca -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1khn n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 206 N 0.00 4.94 1.27 -0.02 0.00 -0.74 -1.11 105.19 109.54 1khn n GLY 206 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1khn n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 207 N 5.00 0.90 0.19 -0.02 0.00 0.57 -0.75 105.19 111.08 1khn n GLY 207 Ca 0.00 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.59 1khn n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn h ALA 208 N 0.00 1.00 -0.27 4.61 0.00 -0.38 -3.24 119.26 120.98 1khn h ALA 208 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1khn h ALA 208 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1khn h ALA 208 CO 0.00 0.00 -0.30 1.57 0.00 0.00 0.00 179.25 180.52 1khn h LYS 209 N 0.00 0.55 0.00 0.00 2.10 -1.76 -2.75 116.57 114.71 1khn h LYS 209 Ca 0.00 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 1khn h LYS 209 Cb 0.48 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1khn h LYS 209 CO 0.00 0.79 -0.06 1.15 -2.00 0.00 0.00 179.45 179.33 1khn h THR 210 N 0.47 0.15 0.00 0.07 2.02 -1.83 -2.36 112.91 111.43 1khn h THR 210 Ca 0.06 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1khn h THR 210 Cb 0.76 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1khn h THR 210 CO 0.06 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.50 1khn n PHE 211 N -3.17 0.00 1.25 3.16 3.01 -1.04 -2.68 117.46 117.99 1khn n PHE 211 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 1khn n PHE 211 Cb 0.37 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.19 1khn n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1khn n ALA 212 N -0.97 3.05 -1.91 4.37 0.00 -0.89 -1.63 120.51 122.54 1khn n ALA 212 Ca 0.21 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1khn n ALA 212 Cb 0.10 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 1khn n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1khn s GLU 213 N -2.42 4.15 -0.09 0.00 2.02 -1.09 -4.81 118.70 116.45 1khn s GLU 213 Ca 0.26 0.98 -0.16 0.00 0.02 0.00 0.00 54.97 56.07 1khn s GLU 213 Cb 0.19 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 1khn s GLU 213 CO 0.50 0.00 0.39 0.99 0.02 0.00 0.00 175.26 177.16 1khn s THR 214 N -2.16 5.18 0.29 3.63 2.01 -1.26 -0.36 115.64 122.98 1khn s THR 214 Ca 0.60 0.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.08 1khn s THR 214 Cb -0.09 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 1khn s THR 214 CO 0.15 0.43 1.27 0.00 -0.69 0.00 0.00 174.62 175.78 1khn s ALA 215 N 0.01 3.49 -0.22 7.40 0.00 -0.85 -4.79 121.76 126.79 1khn s ALA 215 Ca 0.22 1.16 0.19 0.00 0.00 0.00 0.00 51.96 53.53 1khn s ALA 215 Cb -0.15 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1khn s ALA 215 CO 0.09 -0.52 1.19 1.79 0.00 0.00 0.00 175.76 178.31 1khn h THR 216 N 3.19 0.35 -0.30 0.00 1.35 -1.92 -2.42 112.91 113.16 1khn h THR 216 Ca -0.48 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1khn h THR 216 Cb 1.22 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1khn h THR 216 CO 0.68 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 176.15 1khn n ALA 217 N -2.24 0.00 -0.94 6.62 0.00 -1.26 -4.90 120.51 117.80 1khn n ALA 217 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1khn n ALA 217 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1khn n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1khn n GLY 218 N 0.23 -1.10 0.34 0.00 0.00 -1.26 -2.53 105.19 100.85 1khn n GLY 218 Ca 0.00 -0.80 0.21 0.00 0.00 0.00 0.00 46.02 45.43 1khn n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1khn h GLU 219 N 0.00 0.00 -0.19 1.61 4.81 -2.01 -2.93 114.58 115.88 1khn h GLU 219 Ca 0.01 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1khn h GLU 219 Cb 0.59 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.82 1khn h GLU 219 CO 0.00 0.00 -0.65 0.91 -0.73 0.00 0.00 179.01 178.55 1khn n TRP 220 N -3.01 0.67 -1.57 0.92 8.01 -1.26 -5.06 117.44 116.14 1khn n TRP 220 Ca -0.03 -1.59 -0.35 0.00 -1.31 0.00 0.00 57.50 54.22 1khn n TRP 220 Cb 0.16 -0.26 0.08 0.00 -2.01 0.00 0.00 31.31 29.28 1khn n TRP 220 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 1khn s GLN 221 N -3.02 2.32 0.00 -0.99 -2.07 -1.05 -2.47 119.66 112.37 1khn s GLN 221 Ca 0.40 1.90 0.00 0.00 -1.82 0.00 0.00 55.36 55.84 1khn s GLN 221 Cb 0.38 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 30.46 1khn s GLN 221 CO -0.05 -1.73 0.00 0.41 -1.32 0.00 0.00 175.29 172.59 1khn n GLY 222 N 0.64 2.64 3.80 2.60 0.00 -0.91 -4.90 105.19 109.05 1khn n GLY 222 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1khn n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s LYS 223 N 0.00 4.14 0.99 1.61 -0.14 -1.03 -4.85 119.74 120.47 1khn s LYS 223 Ca 0.00 0.58 -0.12 0.00 -1.36 0.00 0.00 55.97 55.07 1khn s LYS 223 Cb 0.00 -3.28 0.19 0.00 -1.68 0.00 0.00 37.83 33.06 1khn s LYS 223 CO 0.00 0.54 1.08 0.95 -0.76 0.00 0.00 175.35 177.16 1khn s THR 224 N -0.68 2.29 0.37 2.17 -4.23 -1.26 -2.00 115.64 112.31 1khn s THR 224 Ca 0.27 0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.99 1khn s THR 224 Cb -0.18 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.44 1khn s THR 224 CO 0.15 -0.12 1.84 -0.07 -0.54 0.00 0.00 174.62 175.88 1khn h LEU 225 N -2.00 0.05 0.14 4.79 4.07 -0.49 -1.04 115.31 120.84 1khn h LEU 225 Ca -0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.42 1khn h LEU 225 Cb 1.30 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1khn h LEU 225 CO 0.50 0.38 -0.07 -0.09 -1.08 0.00 0.00 178.44 178.08 1khn h ARG 226 N 0.05 -0.18 -0.85 1.13 2.43 -1.59 -0.31 114.38 115.05 1khn h ARG 226 Ca 0.00 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1khn h ARG 226 Cb 0.60 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 1khn h ARG 226 CO 0.04 0.01 0.49 0.93 -1.51 0.00 0.00 179.97 179.93 1khn h GLU 227 N -0.35 0.76 -0.66 0.20 5.08 -1.77 0.84 114.58 118.69 1khn h GLU 227 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1khn h GLU 227 Cb 0.28 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1khn h GLU 227 CO 0.03 0.51 0.36 1.49 -1.00 0.00 0.00 179.01 180.39 1khn h GLU 228 N 0.79 0.92 -0.10 2.33 4.81 -0.80 0.26 114.58 122.79 1khn h GLU 228 Ca 0.42 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1khn h GLU 228 Cb 0.44 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1khn h GLU 228 CO -0.27 0.69 0.06 0.00 -0.73 0.00 0.00 179.01 178.76 1khn h ALA 229 N 1.17 0.12 -0.32 2.92 0.00 0.79 0.16 119.26 124.11 1khn h ALA 229 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1khn h ALA 229 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1khn h ALA 229 CO -0.04 -0.35 0.18 0.93 0.00 0.00 0.00 179.25 179.97 1khn h GLU 230 N 0.08 0.44 -0.85 0.00 5.08 -0.67 -1.79 114.58 116.87 1khn h GLU 230 Ca 0.03 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1khn h GLU 230 Cb 0.05 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1khn h GLU 230 CO -0.01 0.36 0.55 0.00 -1.00 0.00 0.00 179.01 178.92 1khn h ALA 231 N 1.05 1.70 -0.14 3.43 0.00 -0.19 -1.72 119.26 123.39 1khn h ALA 231 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1khn h ALA 231 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1khn h ALA 231 CO -0.02 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.89 1khn n ARG 232 N -4.52 1.34 -0.49 0.00 1.74 0.55 -4.90 116.66 110.38 1khn n ARG 232 Ca 0.15 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1khn n ARG 232 Cb 0.33 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1khn n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1khn n GLY 233 N 0.69 0.73 3.74 -0.13 0.00 -0.65 -5.02 105.19 104.56 1khn n GLY 233 Ca 0.05 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1khn n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khn s TYR 234 N -2.00 3.76 -0.09 1.61 1.51 -0.75 -4.02 117.35 117.37 1khn s TYR 234 Ca 0.00 1.56 -0.24 0.00 -1.01 0.00 0.00 57.07 57.37 1khn s TYR 234 Cb 0.00 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.94 1khn s TYR 234 CO 0.00 0.26 0.76 -0.65 -1.11 0.00 0.00 175.55 174.81 1khn s GLN 235 N -0.07 4.41 -0.18 -0.62 -0.21 0.13 -4.54 119.66 118.57 1khn s GLN 235 Ca 0.41 0.96 -0.01 0.00 0.02 0.00 0.00 55.36 56.74 1khn s GLN 235 Cb -0.21 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.32 1khn s GLN 235 CO 0.25 -0.06 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.71 1khn s LEU 236 N 1.20 2.48 0.07 2.90 1.02 -1.26 0.11 118.68 125.20 1khn s LEU 236 Ca 0.39 -0.51 0.09 0.00 0.02 0.00 0.00 54.13 54.12 1khn s LEU 236 Cb -0.18 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 1khn s LEU 236 CO 0.17 0.03 -0.24 0.68 0.02 0.00 0.00 176.35 177.01 1khn s VAL 237 N 1.16 1.95 -0.02 -1.59 -7.23 -0.31 -5.00 120.40 109.35 1khn s VAL 237 Ca 0.01 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1khn s VAL 237 Cb -0.14 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1khn s VAL 237 CO -0.05 0.19 0.31 -1.54 -0.31 0.00 0.00 175.10 173.70 1khn n SER 238 N 1.52 0.61 -2.21 4.85 3.41 -1.26 -1.28 113.62 119.26 1khn n SER 238 Ca -0.18 -0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 57.54 1khn n SER 238 Cb 0.53 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 1khn n SER 238 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1khn n ASP 239 N -0.40 -0.81 -0.02 4.04 5.68 -1.26 -4.30 116.55 119.49 1khn n ASP 239 Ca 0.00 -2.15 -0.11 0.00 -0.50 0.00 0.00 54.79 52.02 1khn n ASP 239 Cb 0.01 1.51 -0.06 0.00 -1.14 0.00 0.00 41.12 41.44 1khn n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1khn h ALA 240 N 1.79 0.15 0.14 2.12 0.00 0.21 -2.44 119.26 121.22 1khn h ALA 240 Ca -0.16 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1khn h ALA 240 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1khn h ALA 240 CO 0.22 -0.29 -0.35 0.00 0.00 0.00 0.00 179.25 178.83 1khn h ALA 241 N 0.92 -0.62 -1.01 0.00 0.00 -1.93 -0.86 119.26 115.76 1khn h ALA 241 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1khn h ALA 241 Cb 0.13 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1khn h ALA 241 CO -0.00 -0.91 0.67 0.77 0.00 0.00 0.00 179.25 179.77 1khn h SER 242 N -0.59 1.15 -0.66 0.00 0.02 -1.96 -1.64 113.55 109.86 1khn h SER 242 Ca 0.02 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1khn h SER 242 Cb 0.62 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1khn h SER 242 CO -0.19 0.83 0.33 0.25 -1.14 0.00 0.00 176.83 176.91 1khn h LEU 243 N 1.36 0.85 -1.34 5.07 5.85 -1.09 -2.26 115.31 123.76 1khn h LEU 243 Ca 0.37 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1khn h LEU 243 Cb -0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 1khn h LEU 243 CO -0.08 0.73 -0.31 0.78 -0.34 0.00 0.00 178.44 179.22 1khn h ASN 244 N 0.91 0.03 1.12 1.25 2.35 -0.65 -2.78 115.58 117.81 1khn h ASN 244 Ca 0.23 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1khn h ASN 244 Cb 0.09 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1khn h ASN 244 CO -0.03 0.34 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.79 1khn h SER 245 N 0.03 0.00 -2.74 5.81 0.87 -0.72 -3.45 113.55 113.35 1khn h SER 245 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1khn h SER 245 Cb 0.57 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1khn h SER 245 CO 0.04 0.03 0.95 -0.69 -0.53 0.00 0.00 176.83 176.62 1khn s VAL 246 N -3.62 2.41 -0.07 2.23 1.01 -1.05 -4.90 120.40 116.42 1khn s VAL 246 Ca 0.02 0.27 0.12 0.00 0.00 0.00 0.00 61.98 62.39 1khn s VAL 246 Cb 0.09 -3.17 -0.18 0.00 0.00 0.00 0.00 36.38 33.11 1khn s VAL 246 CO 0.57 0.02 0.29 0.35 0.00 0.00 0.00 175.10 176.32 1khn n THR 247 N 4.05 0.00 -3.57 3.92 -2.24 -1.26 -5.03 114.28 110.15 1khn n THR 247 Ca 0.15 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1khn n THR 247 Cb 0.37 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1khn n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1khn s GLU 248 N -2.77 0.99 -0.16 -0.78 -1.05 -1.26 -4.99 118.70 108.68 1khn s GLU 248 Ca -0.04 0.17 -0.04 0.00 -0.15 0.00 0.00 54.97 54.91 1khn s GLU 248 Cb 0.08 0.46 0.08 0.00 -0.44 0.00 0.00 34.13 34.31 1khn s GLU 248 CO 0.50 -0.30 0.24 0.00 0.95 0.00 0.00 175.26 176.64 1khn s ALA 249 N -1.24 -0.42 0.02 -0.84 0.00 -1.26 -4.85 121.76 113.17 1khn s ALA 249 Ca -0.11 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1khn s ALA 249 Cb -0.01 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1khn s ALA 249 CO 0.09 -0.90 0.02 0.27 0.00 0.00 0.00 175.76 175.24 1khn n ASN 250 N 5.34 -0.05 0.21 0.00 0.23 -0.97 -4.82 115.26 115.20 1khn n ASN 250 Ca -0.05 -1.09 0.07 0.00 -0.53 0.00 0.00 54.58 52.97 1khn n ASN 250 Cb 0.50 0.09 0.45 0.00 -2.08 0.00 0.00 39.78 38.74 1khn n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1khn h GLN 251 N 0.00 0.00 0.08 -3.83 1.08 -1.92 0.19 115.11 110.71 1khn h GLN 251 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 1khn h GLN 251 Cb 0.05 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1khn h GLN 251 CO 0.02 0.30 -1.13 0.37 -0.95 0.00 0.00 178.83 177.44 1khn h GLN 252 N 0.00 0.33 -2.04 1.46 4.15 -1.96 -3.40 115.11 113.65 1khn h GLN 252 Ca -0.00 -0.47 -0.56 0.00 0.77 0.00 0.00 58.65 58.38 1khn h GLN 252 Cb 0.67 0.16 -0.40 0.00 0.21 0.00 0.00 27.48 28.12 1khn h GLN 252 CO 0.04 1.18 -1.01 1.63 -1.93 0.00 0.00 178.83 178.74 1khn n LYS 253 N -3.63 1.12 -1.87 1.69 4.76 -1.00 -4.86 118.16 114.38 1khn n LYS 253 Ca -0.08 -3.54 -0.35 0.00 -2.87 0.00 0.00 58.31 51.48 1khn n LYS 253 Cb 0.95 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 32.72 1khn n LYS 253 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1khn s PRO 254 N -1.57 2.83 -0.14 1.97 0.02 0.63 -2.29 135.00 136.45 1khn s PRO 254 Ca 0.37 1.65 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 1khn s PRO 254 Cb 0.18 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 1khn s PRO 254 CO -0.09 -1.28 0.05 -1.17 -0.33 0.00 0.00 177.00 174.19 1khn s LEU 255 N -4.46 3.84 -0.16 -5.54 2.96 0.76 -0.69 118.68 115.38 1khn s LEU 255 Ca 0.73 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.80 1khn s LEU 255 Cb -0.26 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.55 1khn s LEU 255 CO 0.37 0.29 -0.00 -0.22 -1.32 0.00 0.00 176.35 175.47 1khn s LEU 256 N -0.36 1.22 -0.18 -0.68 2.96 0.12 -1.29 118.68 120.48 1khn s LEU 256 Ca 0.09 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1khn s LEU 256 Cb -0.12 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 1khn s LEU 256 CO 0.02 -0.24 -0.12 -0.83 -1.32 0.00 0.00 176.35 173.86 1khn s GLY 257 N 1.80 1.52 -0.35 7.98 0.00 0.00 -1.16 107.32 117.12 1khn s GLY 257 Ca 0.01 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1khn s GLY 257 CO -0.07 0.19 0.07 1.08 0.00 0.00 0.00 173.10 174.37 1khn s LEU 258 N 1.07 4.83 0.00 0.66 1.43 -0.41 -1.88 118.68 124.38 1khn s LEU 258 Ca -0.00 -2.14 0.26 0.00 -1.03 0.00 0.00 54.13 51.22 1khn s LEU 258 Cb -0.15 -1.66 0.57 0.00 0.03 0.00 0.00 46.19 44.99 1khn s LEU 258 CO -0.03 -0.40 1.47 0.49 0.23 0.00 0.00 176.35 178.11 1khn n PHE 259 N 4.30 0.00 -3.57 0.29 3.72 -0.27 -4.37 117.46 117.56 1khn n PHE 259 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 1khn n PHE 259 Cb 0.42 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1khn n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1khn s ALA 260 N -2.10 -1.52 0.09 4.37 0.00 -1.26 -4.92 121.76 116.42 1khn s ALA 260 Ca 0.31 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1khn s ALA 260 Cb 0.20 0.08 -0.15 0.00 0.00 0.00 0.00 23.12 23.25 1khn s ALA 260 CO 0.37 -0.37 1.63 -0.44 0.00 0.00 0.00 175.76 176.94 1khn h ASP 261 N 3.13 -0.82 0.00 0.00 3.32 -1.94 0.88 116.42 121.00 1khn h ASP 261 Ca -0.28 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1khn h ASP 261 Cb 1.16 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1khn h ASP 261 CO 0.39 -0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.06 1khn n GLY 262 N -1.44 0.79 3.83 2.75 0.00 -1.26 -1.68 105.19 108.17 1khn n GLY 262 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1khn n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1khn s ASN 263 N -0.31 6.94 0.52 1.61 -0.87 -1.26 -0.32 114.94 121.25 1khn s ASN 263 Ca 0.00 1.39 -0.21 0.00 -1.57 0.00 0.00 52.86 52.46 1khn s ASN 263 Cb 0.00 -2.41 -0.06 0.00 -0.02 0.00 0.00 41.25 38.76 1khn s ASN 263 CO 0.00 -0.09 1.21 -0.04 -2.57 0.00 0.00 177.10 175.61 1khn s MET 264 N -2.46 3.40 0.70 -0.60 -1.94 0.29 -4.91 119.30 113.79 1khn s MET 264 Ca 0.49 1.87 -0.15 0.00 -1.71 0.00 0.00 55.69 56.19 1khn s MET 264 Cb -0.14 -2.22 0.03 0.00 2.01 0.00 0.00 34.83 34.51 1khn s MET 264 CO 0.19 -0.87 1.17 -2.14 -0.01 0.00 0.00 175.02 173.36 1khn s PRO 265 N -2.95 2.37 0.52 2.03 0.02 -1.26 -4.91 135.00 130.82 1khn s PRO 265 Ca 0.69 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 1khn s PRO 265 Cb -0.31 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 1khn s PRO 265 CO 0.36 -1.63 0.96 0.14 -0.33 0.00 0.00 177.00 176.51 1khn s VAL 266 N -2.11 4.61 -0.02 3.83 -7.23 -1.26 -5.02 120.40 113.20 1khn s VAL 266 Ca 0.72 1.06 -0.22 0.00 -1.81 0.00 0.00 61.98 61.72 1khn s VAL 266 Cb -0.26 -3.75 -0.24 0.00 0.56 0.00 0.00 36.38 32.69 1khn s VAL 266 CO 0.44 -0.76 1.05 0.03 -0.31 0.00 0.00 175.10 175.55 1khn h ARG 267 N 0.71 0.30 -6.22 4.82 3.08 -1.88 -3.42 114.38 111.77 1khn h ARG 267 Ca -0.46 -0.33 -0.61 0.00 0.07 0.00 0.00 59.98 58.65 1khn h ARG 267 Cb 1.19 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.25 1khn h ARG 267 CO 0.62 1.03 -0.59 -1.58 -1.07 0.00 0.00 179.97 178.38 1khn s TRP 268 N -3.10 3.13 0.00 3.04 0.51 -1.26 0.13 118.94 121.38 1khn s TRP 268 Ca -0.14 0.01 0.07 0.00 -2.12 0.00 0.00 56.10 53.92 1khn s TRP 268 Cb 0.02 -1.54 -0.03 0.00 -0.81 0.00 0.00 33.47 31.11 1khn s TRP 268 CO 0.79 0.52 -0.23 -1.17 -0.51 0.00 0.00 176.95 176.35 1khn s LEU 269 N -2.77 2.30 -0.02 2.99 1.98 0.29 -3.79 118.68 119.66 1khn s LEU 269 Ca 0.30 -0.45 -0.28 0.00 -2.89 0.00 0.00 54.13 50.81 1khn s LEU 269 Cb -0.11 -1.39 0.10 0.00 0.66 0.00 0.00 46.19 45.44 1khn s LEU 269 CO 0.22 0.30 0.82 -0.83 -1.89 0.00 0.00 176.35 174.97 1khn s GLY 270 N -0.94 -0.47 0.65 7.98 0.00 -1.26 -2.67 107.32 110.61 1khn s GLY 270 Ca 0.12 1.21 -0.17 0.00 0.00 0.00 0.00 44.72 45.87 1khn s GLY 270 CO 0.01 0.58 1.19 -4.14 0.00 0.00 0.00 173.10 170.74 1khn s PRO 271 N -2.42 2.67 0.35 2.90 0.02 -1.26 -4.84 135.00 132.43 1khn s PRO 271 Ca -0.00 1.74 -0.26 0.00 0.02 0.00 0.00 61.00 62.49 1khn s PRO 271 Cb -0.01 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1khn s PRO 271 CO -0.04 -1.42 1.10 0.21 -0.33 0.00 0.00 177.00 176.52 1khn s LYS 272 N -3.64 4.33 0.77 5.54 2.20 -1.26 -4.61 119.74 123.07 1khn s LYS 272 Ca 0.75 1.71 -0.15 0.00 -0.36 0.00 0.00 55.97 57.92 1khn s LYS 272 Cb -0.28 -2.84 0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1khn s LYS 272 CO 0.38 -0.04 0.95 0.00 -0.36 0.00 0.00 175.35 176.28 1khn n ALA 273 N 0.47 -0.53 -2.20 3.13 0.00 0.67 -5.01 120.51 117.05 1khn n ALA 273 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1khn n ALA 273 Cb 0.47 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 1khn n ALA 273 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1khn s THR 274 N -1.98 0.01 -0.09 0.00 -4.23 0.01 -4.78 115.64 104.59 1khn s THR 274 Ca 0.71 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.94 1khn s THR 274 Cb -0.32 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1khn s THR 274 CO 0.53 -0.07 1.42 -0.47 -0.54 0.00 0.00 174.62 175.49 1khn s TYR 275 N -4.14 2.57 -1.47 3.99 5.04 -1.26 0.73 117.35 122.82 1khn s TYR 275 Ca 0.37 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 1khn s TYR 275 Cb 0.07 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.71 1khn s TYR 275 CO 0.11 -2.57 0.00 0.72 -1.34 0.00 0.00 175.55 172.46 1khn n HIS 276 N 6.44 -0.59 0.56 4.97 8.25 -1.26 -4.88 115.22 128.70 1khn n HIS 276 Ca 0.15 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1khn n HIS 276 Cb 0.44 -3.20 0.40 0.00 1.12 0.00 0.00 29.99 28.75 1khn n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1khn h GLY 277 N 0.00 0.00 1.93 -1.41 0.00 -1.59 0.25 103.07 102.26 1khn h GLY 277 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1khn h GLY 277 CO 0.46 0.00 -0.05 3.45 0.00 0.00 0.00 176.54 180.40 1khn h ASN 278 N 0.00 0.00 0.00 0.19 -1.07 -1.83 -3.06 115.58 109.80 1khn h ASN 278 Ca 0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 56.30 56.14 1khn h ASN 278 Cb 0.70 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.92 1khn h ASN 278 CO 0.00 0.01 -1.66 2.30 0.07 0.00 0.00 177.43 178.14 1khn n ILE 279 N -2.30 0.84 0.60 6.14 -5.35 -1.07 -4.67 119.36 113.55 1khn n ILE 279 Ca 0.05 -0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.50 1khn n ILE 279 Cb 0.44 -1.72 0.45 0.00 -1.74 0.00 0.00 39.64 37.07 1khn n ILE 279 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1khn n ASP 280 N -3.67 0.40 -4.32 7.28 9.92 0.06 -4.84 116.55 121.38 1khn n ASP 280 Ca -0.26 0.57 -0.24 0.00 -0.53 0.00 0.00 54.79 54.33 1khn n ASP 280 Cb 0.65 -0.66 -0.12 0.00 -0.64 0.00 0.00 41.12 40.35 1khn n ASP 280 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1khn s LYS 281 N -3.12 1.21 0.53 -1.24 1.02 -1.16 -5.03 119.74 111.95 1khn s LYS 281 Ca 0.08 -1.26 -0.21 0.00 0.02 0.00 0.00 55.97 54.61 1khn s LYS 281 Cb 0.12 -1.47 -0.06 0.00 -0.52 0.00 0.00 37.83 35.91 1khn s LYS 281 CO 0.44 0.33 1.20 -1.25 -0.92 0.00 0.00 175.35 175.15 1khn s PRO 282 N -2.16 3.34 0.75 -1.68 0.04 -1.26 -4.69 135.00 129.34 1khn s PRO 282 Ca 0.10 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1khn s PRO 282 Cb -0.09 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.33 1khn s PRO 282 CO 0.05 -0.91 1.11 0.00 0.04 0.00 0.00 177.00 177.30 1khn n ALA 283 N -1.06 0.04 -2.44 8.56 0.00 -1.26 -4.72 120.51 119.63 1khn n ALA 283 Ca 0.11 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1khn n ALA 283 Cb 0.49 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 1khn n ALA 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1khn s VAL 284 N -1.89 2.07 -0.07 0.00 -7.23 0.16 -4.88 120.40 108.56 1khn s VAL 284 Ca 0.75 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1khn s VAL 284 Cb -0.32 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1khn s VAL 284 CO 0.49 -0.41 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.89 1khn s THR 285 N -2.75 0.97 0.19 5.32 2.01 -1.26 -0.88 115.64 119.24 1khn s THR 285 Ca 0.28 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1khn s THR 285 Cb -0.01 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.50 1khn s THR 285 CO 0.12 0.33 1.13 0.00 -0.69 0.00 0.00 174.62 175.50 1khn s THR 287 N -0.30 2.52 0.84 0.00 -4.23 -1.09 -4.96 115.64 108.41 1khn s THR 287 Ca 0.50 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.66 1khn s THR 287 Cb -0.31 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.35 1khn s THR 287 CO 0.36 -0.29 1.19 -2.84 -0.54 0.00 0.00 174.62 172.50 1khn s PRO 288 N -3.20 1.43 -0.27 3.99 0.02 -1.26 -0.55 135.00 135.16 1khn s PRO 288 Ca 0.27 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.73 1khn s PRO 288 Cb -0.06 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1khn s PRO 288 CO 0.13 -2.35 0.86 1.21 -0.33 0.00 0.00 177.00 176.52 1khn s ASN 289 N -2.31 6.81 0.40 2.53 3.04 0.34 -4.28 114.94 121.47 1khn s ASN 289 Ca 0.71 0.94 0.28 0.00 0.04 0.00 0.00 52.86 54.83 1khn s ASN 289 Cb -0.27 -2.45 1.02 0.00 -1.54 0.00 0.00 41.25 38.01 1khn s ASN 289 CO 0.53 -0.60 1.82 1.55 -3.04 0.00 0.00 177.10 177.35 1khn h PRO 290 N 7.85 0.00 0.04 0.43 0.13 -1.93 -3.29 132.00 135.23 1khn h PRO 290 Ca -0.23 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.64 1khn h PRO 290 Cb 1.09 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.24 1khn h PRO 290 CO 0.90 0.00 -1.04 1.96 -0.23 0.00 0.00 178.00 179.60 1khn h GLN 291 N 0.00 0.64 -6.26 0.86 7.50 -1.94 -3.44 115.11 112.47 1khn h GLN 291 Ca 0.00 -0.74 -0.55 0.00 0.50 0.00 0.00 58.65 57.86 1khn h GLN 291 Cb 0.57 0.22 -0.01 0.00 0.05 0.00 0.00 27.48 28.32 1khn h GLN 291 CO 0.00 1.32 1.15 0.50 -1.50 0.00 0.00 178.83 180.30 1khn s ARG 292 N -3.20 4.02 0.72 1.46 3.52 -1.24 -4.99 118.95 119.24 1khn s ARG 292 Ca -0.10 2.15 -0.11 0.00 -0.13 0.00 0.00 55.73 57.53 1khn s ARG 292 Cb 0.06 -4.06 0.02 0.00 -1.56 0.00 0.00 34.95 29.42 1khn s ARG 292 CO 0.91 -1.05 1.10 -0.80 -0.81 0.00 0.00 175.30 174.66 1khn s ASN 293 N 4.09 5.32 0.00 -2.12 0.01 -1.26 -4.96 114.94 116.02 1khn s ASN 293 Ca 0.78 1.07 0.27 0.00 -0.71 0.00 0.00 52.86 54.26 1khn s ASN 293 Cb -0.33 -1.83 1.38 0.00 0.41 0.00 0.00 41.25 40.88 1khn s ASN 293 CO 0.32 -1.41 1.92 0.47 -1.51 0.00 0.00 177.10 176.89 1khn n ASP 294 N -3.04 0.00 0.12 -1.22 10.43 -1.26 -2.85 116.55 118.72 1khn n ASP 294 Ca 0.07 -0.20 0.05 0.00 2.57 0.00 0.00 54.79 57.29 1khn n ASP 294 Cb 0.58 -0.25 0.01 0.00 1.84 0.00 0.00 41.12 43.30 1khn n ASP 294 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1khn h SER 295 N 0.00 0.00 -3.62 -2.24 0.02 -2.00 -3.44 113.55 102.27 1khn h SER 295 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1khn h SER 295 Cb 0.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 1khn h SER 295 CO 0.00 0.34 0.89 -0.69 -1.14 0.00 0.00 176.83 176.22 1khn s VAL 296 N -3.07 4.29 1.03 2.27 1.01 -1.13 0.91 120.40 125.70 1khn s VAL 296 Ca 0.02 1.31 -0.13 0.00 0.00 0.00 0.00 61.98 63.18 1khn s VAL 296 Cb 0.08 -4.55 0.15 0.00 0.00 0.00 0.00 36.38 32.05 1khn s VAL 296 CO 0.76 -0.88 0.68 -2.65 0.00 0.00 0.00 175.10 173.01 1khn n PRO 297 N 7.58 -1.16 -4.07 2.72 -0.02 -1.26 -4.88 135.00 133.90 1khn n PRO 297 Ca 0.12 -0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.06 1khn n PRO 297 Cb 0.49 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1khn n PRO 297 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1khn s THR 298 N -2.43 4.63 0.49 3.45 -4.23 -1.26 -4.95 115.64 111.35 1khn s THR 298 Ca 0.62 -1.19 0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1khn s THR 298 Cb -0.21 -3.45 0.41 0.00 1.34 0.00 0.00 72.50 70.59 1khn s THR 298 CO 0.64 -0.25 1.94 0.25 -0.54 0.00 0.00 174.62 176.66 1khn h LEU 299 N 1.80 0.14 -0.09 4.79 5.85 -1.96 0.16 115.31 126.01 1khn h LEU 299 Ca -0.49 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.01 1khn h LEU 299 Cb 1.22 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1khn h LEU 299 CO 0.62 0.07 -1.03 0.00 -0.34 0.00 0.00 178.44 177.76 1khn h ALA 300 N 1.66 0.32 -0.19 1.25 0.00 -1.90 0.26 119.26 120.66 1khn h ALA 300 Ca 0.35 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1khn h ALA 300 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1khn h ALA 300 CO -0.05 0.95 -0.22 1.96 0.00 0.00 0.00 179.25 181.89 1khn h GLN 301 N 0.11 0.48 -0.01 0.00 4.20 -1.35 0.18 115.11 118.72 1khn h GLN 301 Ca -0.08 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1khn h GLN 301 Cb 1.71 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.50 1khn h GLN 301 CO 0.16 0.85 0.01 0.52 -0.67 0.00 0.00 178.83 179.70 1khn h MET 302 N 0.15 0.02 -0.71 1.46 2.86 -0.78 -0.03 114.93 117.89 1khn h MET 302 Ca 0.03 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1khn h MET 302 Cb 0.77 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1khn h MET 302 CO 0.05 0.15 0.47 1.15 1.06 0.00 0.00 176.91 179.79 1khn h THR 303 N -0.12 1.06 0.22 2.22 2.02 -0.46 -1.83 112.91 116.03 1khn h THR 303 Ca 0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1khn h THR 303 Cb 0.14 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1khn h THR 303 CO -0.00 0.15 -0.11 -0.78 0.37 0.00 0.00 175.52 175.15 1khn h ASP 304 N 0.80 -0.25 -0.32 4.18 -0.00 -0.19 -2.67 116.42 117.97 1khn h ASP 304 Ca 0.30 -0.25 0.05 0.00 -0.00 0.00 0.00 57.03 57.12 1khn h ASP 304 Cb 0.16 0.07 -0.04 0.00 -0.00 0.00 0.00 39.33 39.51 1khn h ASP 304 CO -0.09 0.15 0.06 0.50 -0.00 0.00 0.00 179.24 179.86 1khn h LYS 305 N -0.71 0.16 -0.26 0.28 1.63 -0.78 -1.87 116.57 115.02 1khn h LYS 305 Ca -0.03 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1khn h LYS 305 Cb 0.49 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 1khn h LYS 305 CO 0.05 0.11 -0.23 0.00 -3.45 0.00 0.00 179.45 175.92 1khn h ALA 306 N 1.24 -0.10 -0.67 5.00 0.00 -1.41 0.11 119.26 123.42 1khn h ALA 306 Ca 0.15 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1khn h ALA 306 Cb 0.17 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1khn h ALA 306 CO -0.20 -0.65 0.44 0.82 0.00 0.00 0.00 179.25 179.65 1khn h ILE 307 N -0.23 1.00 -0.10 0.00 2.04 -1.09 0.80 117.51 119.93 1khn h ILE 307 Ca 0.14 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1khn h ILE 307 Cb 0.45 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1khn h ILE 307 CO -0.39 0.12 -0.03 -0.08 0.00 0.00 0.00 178.15 177.77 1khn h GLU 308 N 0.67 0.20 -0.41 2.37 4.81 -0.17 -1.00 114.58 121.05 1khn h GLU 308 Ca 0.29 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1khn h GLU 308 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1khn h GLU 308 CO -0.09 0.52 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.42 1khn h LEU 309 N -0.12 0.90 -0.49 1.64 3.38 -0.33 -3.25 115.31 117.04 1khn h LEU 309 Ca 0.03 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1khn h LEU 309 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1khn h LEU 309 CO 0.01 1.12 -0.45 -0.07 0.09 0.00 0.00 178.44 179.14 1khn h LEU 310 N 0.69 0.00 0.00 1.67 3.38 -0.92 -3.26 115.31 116.87 1khn h LEU 310 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1khn h LEU 310 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1khn h LEU 310 CO 0.06 0.45 0.00 -1.54 0.09 0.00 0.00 178.44 177.50 1khn n SER 311 N -3.37 0.00 0.05 -0.43 3.41 -0.38 -2.61 113.62 110.28 1khn n SER 311 Ca 0.01 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.66 1khn n SER 311 Cb 0.62 -0.24 0.39 0.00 -0.26 0.00 0.00 64.21 64.72 1khn n SER 311 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1khn n LYS 312 N -1.24 0.15 -2.83 4.33 5.02 -1.23 -4.75 118.16 117.62 1khn n LYS 312 Ca 0.10 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 1khn n LYS 312 Cb 0.14 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1khn n LYS 312 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1khn s ASN 313 N -3.77 6.93 0.39 4.39 3.84 -1.07 -4.94 114.94 120.71 1khn s ASN 313 Ca 0.11 1.15 0.17 0.00 0.21 0.00 0.00 52.86 54.50 1khn s ASN 313 Cb 0.15 -2.47 0.81 0.00 -0.55 0.00 0.00 41.25 39.20 1khn s ASN 313 CO 0.62 -0.54 1.82 -0.33 -2.79 0.00 0.00 177.10 175.88 1khn h GLU 314 N 7.56 0.00 0.00 0.43 4.39 -1.90 -2.97 114.58 122.10 1khn h GLU 314 Ca -0.23 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 1khn h GLU 314 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1khn h GLU 314 CO 0.90 0.35 -0.49 0.87 -1.16 0.00 0.00 179.01 179.48 1khn h LYS 315 N 0.00 0.00 0.00 2.33 6.56 -1.92 -3.49 116.57 120.05 1khn h LYS 315 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1khn h LYS 315 Cb 0.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1khn h LYS 315 CO 0.05 0.49 0.00 0.41 -2.06 0.00 0.00 179.45 178.33 1khn n GLY 316 N 0.19 0.56 3.36 3.86 0.00 -1.12 -4.85 105.19 107.19 1khn n GLY 316 Ca -0.01 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1khn n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1khn s PHE 317 N -0.90 -0.34 -0.08 1.61 -0.12 -1.23 -2.02 117.98 114.91 1khn s PHE 317 Ca 0.00 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1khn s PHE 317 Cb 0.00 0.38 0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1khn s PHE 317 CO 0.00 -0.76 -0.10 0.12 -0.05 0.00 0.00 175.22 174.44 1khn s PHE 318 N -3.72 1.35 -0.01 3.49 5.36 -0.32 -1.93 117.98 122.20 1khn s PHE 318 Ca 0.02 -0.55 0.03 0.00 -0.96 0.00 0.00 56.93 55.47 1khn s PHE 318 Cb 0.01 -1.06 -0.00 0.00 -0.34 0.00 0.00 43.02 41.62 1khn s PHE 318 CO -0.12 -0.34 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.04 1khn s LEU 319 N 1.04 1.96 -0.10 6.12 2.96 -0.01 -0.32 118.68 130.34 1khn s LEU 319 Ca -0.08 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1khn s LEU 319 Cb -0.15 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.10 1khn s LEU 319 CO -0.01 0.10 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.44 1khn s GLN 320 N -0.12 1.74 -0.01 1.98 0.74 -0.92 -1.42 119.66 121.65 1khn s GLN 320 Ca 0.02 -0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.12 1khn s GLN 320 Cb -0.04 -1.61 -0.03 0.00 1.10 0.00 0.00 33.01 32.42 1khn s GLN 320 CO -0.00 -0.15 -0.17 0.08 -0.55 0.00 0.00 175.29 174.50 1khn s VAL 321 N 1.28 2.88 -0.04 1.34 1.01 0.48 -0.57 120.40 126.77 1khn s VAL 321 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1khn s VAL 321 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1khn s VAL 321 CO -0.04 0.47 -0.01 -0.70 0.00 0.00 0.00 175.10 174.82 1khn s GLU 322 N -1.06 0.50 -0.58 2.72 2.12 -0.68 -0.41 118.70 121.31 1khn s GLU 322 Ca 0.13 0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.31 1khn s GLU 322 Cb -0.11 -0.69 0.09 0.00 0.26 0.00 0.00 34.13 33.68 1khn s GLU 322 CO 0.03 -0.16 0.71 0.20 -0.54 0.00 0.00 175.26 175.49 1khn s GLY 323 N 1.25 1.74 -0.13 -1.50 0.00 0.14 -2.85 107.32 105.96 1khn s GLY 323 Ca -0.06 -2.07 -0.26 0.00 0.00 0.00 0.00 44.72 42.33 1khn s GLY 323 CO -0.02 1.60 0.71 0.00 0.00 0.00 0.00 173.10 175.39 1khn h ALA 324 N 9.17 -0.00 0.00 3.20 0.00 -1.90 -0.75 119.26 128.98 1khn h ALA 324 Ca -0.29 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1khn h ALA 324 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1khn h ALA 324 CO 1.07 -0.01 0.00 0.43 0.00 0.00 0.00 179.25 180.74 1khn n SER 325 N -4.64 0.00 -0.16 0.00 7.64 -1.26 -1.92 113.62 113.28 1khn n SER 325 Ca -0.09 -0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 1khn n SER 325 Cb 0.42 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1khn n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1khn h ILE 326 N 0.00 1.15 0.24 0.44 2.04 -1.75 0.54 117.51 120.17 1khn h ILE 326 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1khn h ILE 326 Cb 0.00 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1khn h ILE 326 CO 0.00 0.16 -0.11 -0.78 0.00 0.00 0.00 178.15 177.42 1khn h ASP 327 N 0.62 -0.27 -0.61 1.72 3.58 0.07 -0.81 116.42 120.72 1khn h ASP 327 Ca 0.17 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1khn h ASP 327 Cb 0.02 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1khn h ASP 327 CO -0.03 0.01 0.36 0.11 -2.88 0.00 0.00 179.24 176.81 1khn h LYS 328 N -0.56 0.68 -0.08 0.28 1.57 -1.60 0.11 116.57 116.98 1khn h LYS 328 Ca -0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1khn h LYS 328 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1khn h LYS 328 CO 0.05 0.45 -0.61 1.96 -0.57 0.00 0.00 179.45 180.73 1khn h GLN 329 N 0.70 0.28 -0.05 3.15 1.08 -0.91 -0.80 115.11 118.56 1khn h GLN 329 Ca 0.26 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1khn h GLN 329 Cb 0.07 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1khn h GLN 329 CO -0.13 0.80 -0.27 -0.97 -0.95 0.00 0.00 178.83 177.32 1khn h ASN 330 N 0.21 0.08 -0.13 1.46 -0.73 -0.49 0.11 115.58 116.09 1khn h ASN 330 Ca -0.01 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.01 1khn h ASN 330 Cb 1.13 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1khn h ASN 330 CO 0.10 0.36 -0.43 0.45 -0.37 0.00 0.00 177.43 177.53 1khn h HIS 331 N 0.08 0.68 0.00 0.67 3.86 -0.41 -3.10 115.15 116.93 1khn h HIS 331 Ca 0.01 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1khn h HIS 331 Cb 0.52 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1khn h HIS 331 CO 0.00 1.04 0.00 0.00 0.86 0.00 0.00 177.93 179.83 1khn n ALA 332 N -2.53 1.62 -3.33 2.45 0.00 -0.34 -1.55 120.51 116.83 1khn n ALA 332 Ca -0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1khn n ALA 332 Cb 0.56 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1khn n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1khn n ALA 333 N -1.52 -2.10 -3.73 0.00 0.00 0.28 -4.74 120.51 108.70 1khn n ALA 333 Ca 0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1khn n ALA 333 Cb 0.16 -3.35 -0.13 0.00 0.00 0.00 0.00 19.45 16.14 1khn n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1khn s ASN 334 N -4.04 3.66 0.30 0.00 2.47 -0.64 -0.24 114.94 116.45 1khn s ASN 334 Ca 0.13 -2.85 0.05 0.00 0.42 0.00 0.00 52.86 50.62 1khn s ASN 334 Cb -0.02 -1.11 0.79 0.00 -1.45 0.00 0.00 41.25 39.47 1khn s ASN 334 CO 0.71 -0.23 1.67 -0.65 -3.72 0.00 0.00 177.10 174.88 1khn h PRO 335 N 6.45 0.29 -0.09 0.43 0.11 -1.85 -1.14 132.00 136.21 1khn h PRO 335 Ca 0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1khn h PRO 335 Cb 0.90 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1khn h PRO 335 CO 0.52 0.19 -0.02 0.00 -0.21 0.00 0.00 178.00 178.48 1khn h GLY 337 N -0.16 0.76 1.52 0.00 0.00 -1.56 -0.36 103.07 103.26 1khn h GLY 337 Ca 0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1khn h GLY 337 CO 0.01 0.48 -0.22 -1.61 0.00 0.00 0.00 176.54 175.20 1khn h GLN 338 N 0.66 0.56 0.24 4.80 4.15 -1.09 -2.32 115.11 122.11 1khn h GLN 338 Ca 0.13 -0.21 -0.34 0.00 0.77 0.00 0.00 58.65 59.00 1khn h GLN 338 Cb 0.47 -0.04 0.03 0.00 0.21 0.00 0.00 27.48 28.16 1khn h GLN 338 CO 0.02 0.74 -1.54 0.82 -1.93 0.00 0.00 178.83 176.94 1khn h ILE 339 N 0.50 1.21 -0.56 2.39 2.04 -0.51 -2.98 117.51 119.60 1khn h ILE 339 Ca 0.08 -2.67 0.03 0.00 1.00 0.00 0.00 64.86 63.29 1khn h ILE 339 Cb 0.65 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 1khn h ILE 339 CO 0.05 0.82 0.37 1.23 0.00 0.00 0.00 178.15 180.62 1khn h GLY 340 N 0.34 0.75 1.58 5.37 0.00 -1.06 -1.49 103.07 108.55 1khn h GLY 340 Ca -0.27 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 1khn h GLY 340 CO 0.25 0.24 -0.57 0.83 0.00 0.00 0.00 176.54 177.29 1khn h GLU 341 N 0.67 0.44 -0.07 4.80 4.39 -1.46 -0.80 114.58 122.56 1khn h GLU 341 Ca 0.22 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1khn h GLU 341 Cb 0.04 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1khn h GLU 341 CO -0.06 0.89 -0.59 1.15 -1.16 0.00 0.00 179.01 179.24 1khn h THR 342 N 0.34 1.38 -0.13 1.13 2.02 -1.17 -2.12 112.91 114.35 1khn h THR 342 Ca 0.00 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.20 1khn h THR 342 Cb 1.10 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1khn h THR 342 CO 0.10 0.58 -0.03 0.58 0.37 0.00 0.00 175.52 177.12 1khn h VAL 343 N 0.18 1.29 -0.79 3.16 2.07 -1.20 -1.95 116.25 119.01 1khn h VAL 343 Ca -0.00 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1khn h VAL 343 Cb 1.09 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 1khn h VAL 343 CO 0.09 0.28 0.43 -0.78 0.02 0.00 0.00 177.57 177.61 1khn h ASP 344 N -0.05 0.60 -0.49 0.57 3.58 -1.04 -1.85 116.42 117.75 1khn h ASP 344 Ca 0.03 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1khn h ASP 344 Cb 0.45 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1khn h ASP 344 CO 0.01 0.34 -0.19 0.25 -2.88 0.00 0.00 179.24 176.78 1khn h LEU 345 N 0.72 1.00 -0.99 2.28 5.85 -1.31 -2.77 115.31 120.09 1khn h LEU 345 Ca 0.38 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1khn h LEU 345 Cb 0.37 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1khn h LEU 345 CO -0.26 1.16 0.62 -0.78 -0.34 0.00 0.00 178.44 178.85 1khn h ASP 346 N 0.84 0.90 -0.35 1.25 3.58 -0.55 0.11 116.42 122.19 1khn h ASP 346 Ca 0.11 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1khn h ASP 346 Cb 0.76 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1khn h ASP 346 CO 0.06 0.47 0.16 -0.33 -2.88 0.00 0.00 179.24 176.72 1khn h GLU 347 N 0.96 0.52 -0.61 0.28 5.08 -1.14 -0.50 114.58 119.17 1khn h GLU 347 Ca 0.50 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 1khn h GLU 347 Cb 0.52 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1khn h GLU 347 CO -0.28 0.47 0.34 0.00 -1.00 0.00 0.00 179.01 178.55 1khn h ALA 348 N 1.01 0.80 -0.31 3.43 0.00 -0.99 -1.01 119.26 122.19 1khn h ALA 348 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1khn h ALA 348 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1khn h ALA 348 CO -0.01 0.03 0.12 0.28 0.00 0.00 0.00 179.25 179.67 1khn h VAL 349 N 0.65 1.12 -0.14 0.00 2.07 -0.29 -1.96 116.25 117.70 1khn h VAL 349 Ca 0.26 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1khn h VAL 349 Cb 0.13 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1khn h VAL 349 CO -0.15 0.14 -0.08 1.56 0.02 0.00 0.00 177.57 179.06 1khn h GLN 350 N 0.43 0.31 -0.99 1.57 4.20 0.13 -1.18 115.11 119.57 1khn h GLN 350 Ca 0.11 -0.14 0.13 0.00 0.06 0.00 0.00 58.65 58.81 1khn h GLN 350 Cb 0.09 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.78 1khn h GLN 350 CO -0.01 0.65 0.62 0.00 -0.67 0.00 0.00 178.83 179.42 1khn h ARG 351 N -0.04 0.89 0.31 1.46 2.47 -0.56 0.13 114.38 119.04 1khn h ARG 351 Ca 0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1khn h ARG 351 Cb 0.57 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1khn h ARG 351 CO 0.02 0.59 -0.15 0.00 0.56 0.00 0.00 179.97 181.00 1khn h ALA 352 N 1.56 -0.41 -0.80 0.04 0.00 -1.27 -2.66 119.26 115.72 1khn h ALA 352 Ca 0.50 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1khn h ALA 352 Cb 0.58 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1khn h ALA 352 CO -0.27 -0.60 0.52 1.25 0.00 0.00 0.00 179.25 180.15 1khn h LEU 353 N -0.67 0.66 -0.30 0.00 5.85 -0.65 0.22 115.31 120.43 1khn h LEU 353 Ca -0.04 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1khn h LEU 353 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1khn h LEU 353 CO 0.07 0.39 0.08 -0.33 -0.34 0.00 0.00 178.44 178.32 1khn h GLU 354 N 0.73 0.47 -0.02 1.25 5.08 -0.89 -1.14 114.58 120.07 1khn h GLU 354 Ca 0.37 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1khn h GLU 354 Cb 0.44 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1khn h GLU 354 CO -0.14 0.54 -0.01 0.35 -1.00 0.00 0.00 179.01 178.75 1khn h PHE 355 N 0.32 0.05 -0.88 4.33 3.57 -1.01 -2.30 116.94 121.02 1khn h PHE 355 Ca 0.10 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.78 1khn h PHE 355 Cb 0.27 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.89 1khn h PHE 355 CO 0.01 0.42 0.40 0.00 -2.23 0.00 0.00 178.31 176.92 1khn h ALA 356 N 0.62 1.37 -0.05 2.41 0.00 -0.50 0.11 119.26 123.22 1khn h ALA 356 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1khn h ALA 356 Cb 0.41 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1khn h ALA 356 CO 0.00 -0.27 -0.03 0.87 0.00 0.00 0.00 179.25 179.83 1khn h LYS 357 N 0.46 0.11 -0.00 0.00 1.57 -1.13 0.18 116.57 117.76 1khn h LYS 357 Ca 0.53 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1khn h LYS 357 Cb 0.93 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1khn h LYS 357 CO -0.48 0.50 0.00 -0.22 -0.57 0.00 0.00 179.45 178.69 1khn h LYS 358 N -0.28 0.01 0.42 3.15 3.64 -0.75 -3.25 116.57 119.50 1khn h LYS 358 Ca 0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1khn h LYS 358 Cb 0.47 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1khn h LYS 358 CO 0.01 0.11 -0.20 1.49 -2.27 0.00 0.00 179.45 178.59 1khn h GLU 359 N -0.10 -0.54 0.00 1.90 4.22 -0.87 -3.48 114.58 115.71 1khn h GLU 359 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1khn h GLU 359 Cb 0.11 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1khn h GLU 359 CO -0.00 -0.28 0.00 0.41 -2.18 0.00 0.00 179.01 176.96 1khn n GLY 360 N -0.91 2.69 0.41 1.92 0.00 0.63 -4.86 105.19 105.08 1khn n GLY 360 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1khn n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1khn n ASN 361 N 0.00 2.86 -4.90 1.61 5.03 -1.26 -4.81 115.26 113.79 1khn n ASN 361 Ca 0.00 -2.70 -0.32 0.00 0.87 0.00 0.00 54.58 52.43 1khn n ASN 361 Cb 0.00 -0.36 -0.05 0.00 -1.02 0.00 0.00 39.78 38.36 1khn n ASN 361 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1khn s THR 362 N -2.22 5.21 -0.23 3.41 2.01 -1.26 -0.81 115.64 121.75 1khn s THR 362 Ca 0.28 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1khn s THR 362 Cb 0.22 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 69.15 1khn s THR 362 CO 0.06 0.12 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.75 1khn s LEU 363 N -2.46 2.87 -0.15 4.42 2.96 -1.03 -3.92 118.68 121.38 1khn s LEU 363 Ca 0.38 -1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 1khn s LEU 363 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1khn s LEU 363 CO 0.23 -0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.49 1khn s VAL 364 N 1.21 4.46 -0.04 1.68 1.01 0.40 -1.37 120.40 127.74 1khn s VAL 364 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1khn s VAL 364 Cb -0.17 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1khn s VAL 364 CO -0.08 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.77 1khn s ILE 365 N -0.01 1.15 -0.06 2.22 1.09 -0.44 -0.60 121.20 124.55 1khn s ILE 365 Ca 0.04 -0.56 0.02 0.00 -1.10 0.00 0.00 60.65 59.05 1khn s ILE 365 Cb -0.13 -1.00 0.01 0.00 -1.06 0.00 0.00 42.46 40.29 1khn s ILE 365 CO 0.02 0.34 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.40 1khn s VAL 366 N 0.14 1.04 0.00 2.92 1.01 0.72 -0.42 120.40 125.81 1khn s VAL 366 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1khn s VAL 366 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1khn s VAL 366 CO 0.02 0.33 0.00 1.07 0.00 0.00 0.00 175.10 176.52 1khn n THR 367 N 3.87 0.00 -4.26 3.92 5.66 -0.87 -1.19 114.28 121.40 1khn n THR 367 Ca -0.23 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.63 1khn n THR 367 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1khn n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1khn s ALA 368 N -1.00 1.47 0.13 1.79 0.00 -1.26 -0.80 121.76 122.10 1khn s ALA 368 Ca 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.46 1khn s ALA 368 Cb 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 23.12 23.24 1khn s ALA 368 CO 0.00 -0.20 1.30 0.38 0.00 0.00 0.00 175.76 177.24 1khn h ASP 369 N 2.70 0.02 -5.15 0.00 -0.00 -1.93 -3.48 116.42 108.58 1khn h ASP 369 Ca -0.37 -0.02 0.17 0.00 -0.00 0.00 0.00 57.03 56.81 1khn h ASP 369 Cb 1.20 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.33 40.42 1khn h ASP 369 CO 0.64 0.99 0.52 -1.38 -0.00 0.00 0.00 179.24 180.01 1khn s HIS 370 N -2.78 -0.18 0.95 4.15 -3.43 -1.26 -4.85 115.29 107.89 1khn s HIS 370 Ca 0.01 -0.05 -0.15 0.00 -0.80 0.00 0.00 55.06 54.06 1khn s HIS 370 Cb 0.10 0.60 0.18 0.00 -1.43 0.00 0.00 32.58 32.03 1khn s HIS 370 CO 0.82 -0.69 1.24 0.00 -2.00 0.00 0.00 174.74 174.11 1khn s ALA 371 N -3.15 2.06 0.00 -1.38 0.00 -1.20 -3.86 121.76 114.23 1khn s ALA 371 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1khn s ALA 371 Cb -0.01 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1khn s ALA 371 CO -0.02 -2.40 0.00 1.58 0.00 0.00 0.00 175.76 174.93 1khn n HIS 372 N -3.79 0.00 -0.04 0.00 -0.00 -1.26 -2.34 115.22 107.79 1khn n HIS 372 Ca 0.12 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.16 1khn n HIS 372 Cb 0.60 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.36 1khn n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1khn h ALA 373 N 1.00 0.02 -1.27 1.57 0.00 -1.76 -3.38 119.26 115.44 1khn h ALA 373 Ca 0.00 -0.38 -0.76 0.00 0.00 0.00 0.00 54.91 53.77 1khn h ALA 373 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1khn h ALA 373 CO 0.00 -0.08 0.35 -1.13 0.00 0.00 0.00 179.25 178.38 1khn n SER 374 N -4.69 0.90 -4.15 0.00 3.41 -1.26 -4.71 113.62 103.13 1khn n SER 374 Ca -0.09 1.14 -0.19 0.00 -0.26 0.00 0.00 58.87 59.47 1khn n SER 374 Cb 0.38 -1.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.19 1khn n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1khn s GLN 375 N 0.89 0.86 -0.40 4.33 -0.21 0.00 -4.74 119.66 120.39 1khn s GLN 375 Ca 0.92 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 55.31 1khn s GLN 375 Cb -1.18 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 31.98 1khn s GLN 375 CO 0.58 0.20 0.29 0.42 -2.12 0.00 0.00 175.29 174.67 1khn s ILE 376 N -1.05 5.26 0.42 1.08 1.01 -1.26 0.66 121.20 127.32 1khn s ILE 376 Ca -0.00 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1khn s ILE 376 Cb -0.09 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1khn s ILE 376 CO 0.02 -0.28 0.18 0.68 0.00 0.00 0.00 174.94 175.53 1khn s VAL 377 N 1.68 2.25 0.57 2.92 -7.23 0.27 -4.98 120.40 115.89 1khn s VAL 377 Ca 0.05 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1khn s VAL 377 Cb -0.19 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1khn s VAL 377 CO 0.10 0.00 1.30 0.00 -0.31 0.00 0.00 175.10 176.19 1khn s ALA 378 N -2.61 2.68 0.43 1.32 0.00 -1.26 -3.75 121.76 118.56 1khn s ALA 378 Ca 0.40 1.21 0.15 0.00 0.00 0.00 0.00 51.96 53.73 1khn s ALA 378 Cb 0.04 -3.53 1.05 0.00 0.00 0.00 0.00 23.12 20.68 1khn s ALA 378 CO 0.22 -1.32 1.93 -1.35 0.00 0.00 0.00 175.76 175.24 1khn h PRO 379 N 1.20 0.40 -0.41 0.00 0.11 -1.91 -2.18 132.00 129.21 1khn h PRO 379 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1khn h PRO 379 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1khn h PRO 379 CO 0.56 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 1khn n ASP 380 N -4.48 2.28 -4.71 -2.05 5.75 -1.26 -4.81 116.55 107.27 1khn n ASP 380 Ca 0.13 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 1khn n ASP 380 Cb 0.50 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1khn n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1khn s THR 381 N -1.46 2.71 -0.88 2.12 2.01 -0.82 -4.96 115.64 114.37 1khn s THR 381 Ca 0.29 0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.69 1khn s THR 381 Cb 0.15 -3.30 0.22 0.00 0.01 0.00 0.00 72.50 69.59 1khn s THR 381 CO 0.21 0.03 0.80 -0.75 -0.69 0.00 0.00 174.62 174.21 1khn s LYS 382 N 1.35 3.49 0.19 4.92 2.20 -1.26 -4.83 119.74 125.80 1khn s LYS 382 Ca 0.70 -2.87 -0.04 0.00 -0.36 0.00 0.00 55.97 53.41 1khn s LYS 382 Cb -0.43 -4.22 -0.05 0.00 -1.51 0.00 0.00 37.83 31.62 1khn s LYS 382 CO 0.31 -1.25 0.41 0.00 -0.36 0.00 0.00 175.35 174.47 1khn s ALA 383 N -0.61 3.77 0.19 3.13 0.00 -1.26 -5.04 121.76 121.95 1khn s ALA 383 Ca 0.23 -0.64 0.12 0.00 0.00 0.00 0.00 51.96 51.68 1khn s ALA 383 Cb -0.11 -2.12 0.33 0.00 0.00 0.00 0.00 23.12 21.21 1khn s ALA 383 CO -0.08 0.52 1.58 -1.00 0.00 0.00 0.00 175.76 176.78 1khn h PRO 384 N 2.37 0.00 0.00 0.00 0.13 -1.96 -3.40 132.00 129.13 1khn h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1khn h PRO 384 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1khn h PRO 384 CO 0.70 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 1khn n GLY 385 N 0.48 1.29 3.57 1.56 0.00 -1.26 -4.96 105.19 105.87 1khn n GLY 385 Ca -0.01 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1khn n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1khn s LEU 386 N 0.00 4.18 0.36 0.99 1.43 0.25 -4.16 118.68 121.73 1khn s LEU 386 Ca 0.00 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1khn s LEU 386 Cb 0.00 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1khn s LEU 386 CO 0.00 -0.13 0.03 0.42 0.23 0.00 0.00 176.35 176.90 1khn s THR 387 N 1.80 2.53 -0.28 5.49 -4.23 0.22 -1.04 115.64 120.13 1khn s THR 387 Ca 0.08 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1khn s THR 387 Cb -0.16 -2.84 0.10 0.00 1.34 0.00 0.00 72.50 70.94 1khn s THR 387 CO 0.11 -0.16 0.90 -1.58 -0.54 0.00 0.00 174.62 173.35 1khn s GLN 388 N -3.74 0.62 -0.17 3.99 0.74 -1.01 -0.81 119.66 119.29 1khn s GLN 388 Ca 0.36 0.79 -0.09 0.00 0.05 0.00 0.00 55.36 56.47 1khn s GLN 388 Cb 0.01 0.28 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 1khn s GLN 388 CO 0.20 -0.08 0.13 0.00 -0.55 0.00 0.00 175.29 174.98 1khn s ALA 389 N 0.48 3.75 0.08 1.58 0.00 -1.26 -1.91 121.76 124.48 1khn s ALA 389 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1khn s ALA 389 Cb -0.05 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1khn s ALA 389 CO -0.06 0.34 -0.20 -0.51 0.00 0.00 0.00 175.76 175.34 1khn s LEU 390 N -0.20 2.25 -0.71 0.00 1.02 0.98 0.36 118.68 122.38 1khn s LEU 390 Ca 0.11 -0.61 -0.22 0.00 0.02 0.00 0.00 54.13 53.43 1khn s LEU 390 Cb -0.11 -0.86 0.08 0.00 0.02 0.00 0.00 46.19 45.31 1khn s LEU 390 CO 0.00 0.08 1.01 0.20 0.02 0.00 0.00 176.35 177.66 1khn s ASN 391 N -1.60 6.24 1.17 2.29 0.01 -0.06 -0.57 114.94 122.42 1khn s ASN 391 Ca 0.06 -1.13 -0.12 0.00 -0.71 0.00 0.00 52.86 50.96 1khn s ASN 391 Cb -0.09 -2.42 0.18 0.00 0.41 0.00 0.00 41.25 39.33 1khn s ASN 391 CO 0.03 -1.41 0.61 0.35 -1.51 0.00 0.00 177.10 175.17 1khn n THR 392 N 5.91 0.00 0.17 1.60 -2.24 0.11 -4.89 114.28 114.93 1khn n THR 392 Ca 0.01 -0.23 0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1khn n THR 392 Cb 0.46 -1.04 0.17 0.00 -2.10 0.00 0.00 70.33 67.82 1khn n THR 392 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1khn h LYS 393 N 0.00 0.00 0.00 -0.78 3.64 -1.54 -3.11 116.57 114.78 1khn h LYS 393 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1khn h LYS 393 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1khn h LYS 393 CO 0.15 0.40 0.00 -0.25 -2.27 0.00 0.00 179.45 177.48 1khn n ASP 394 N -3.30 0.00 0.00 4.20 8.00 -1.26 -4.83 116.55 119.37 1khn n ASP 394 Ca 0.01 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1khn n ASP 394 Cb 0.63 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1khn n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1khn n GLY 395 N 0.13 0.78 3.97 0.44 0.00 -1.18 -5.03 105.19 104.30 1khn n GLY 395 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1khn n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn s ALA 396 N -2.94 4.15 -0.06 4.61 0.00 -1.26 -4.90 121.76 121.35 1khn s ALA 396 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 1khn s ALA 396 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1khn s ALA 396 CO 0.00 0.01 0.21 0.54 0.00 0.00 0.00 175.76 176.52 1khn s VAL 397 N -2.17 5.38 -0.06 0.00 0.11 -1.26 -0.72 120.40 121.69 1khn s VAL 397 Ca 0.43 0.25 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1khn s VAL 397 Cb -0.09 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1khn s VAL 397 CO 0.30 0.53 -0.18 -0.32 -3.33 0.00 0.00 175.10 172.10 1khn s MET 398 N -1.30 2.12 -0.18 1.54 0.00 0.27 -4.89 119.30 116.87 1khn s MET 398 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 55.69 55.21 1khn s MET 398 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 34.83 32.94 1khn s MET 398 CO 0.10 0.19 -0.04 0.08 0.00 0.00 0.00 175.02 175.34 1khn s VAL 399 N 0.25 3.62 -0.03 10.11 1.01 -1.25 -0.01 120.40 134.10 1khn s VAL 399 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1khn s VAL 399 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1khn s VAL 399 CO 0.04 0.46 0.01 -0.04 0.00 0.00 0.00 175.10 175.57 1khn s MET 400 N 0.83 2.87 0.01 2.72 -1.94 -0.80 -0.56 119.30 122.42 1khn s MET 400 Ca -0.01 -0.54 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1khn s MET 400 Cb -0.15 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 33.95 1khn s MET 400 CO 0.02 0.65 -0.19 0.45 -0.01 0.00 0.00 175.02 175.94 1khn s SER 401 N -1.38 2.25 -0.33 3.03 0.15 0.21 -2.39 113.70 115.23 1khn s SER 401 Ca 0.18 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1khn s SER 401 Cb -0.11 -0.22 0.10 0.00 -1.71 0.00 0.00 66.02 64.08 1khn s SER 401 CO 0.08 0.19 0.09 -0.31 1.20 0.00 0.00 173.24 174.50 1khn s TYR 402 N -0.59 2.52 -0.20 3.44 1.51 -0.21 -0.82 117.35 123.01 1khn s TYR 402 Ca 0.07 -2.28 0.18 0.00 -1.01 0.00 0.00 57.07 54.02 1khn s TYR 402 Cb -0.08 -2.20 0.47 0.00 -0.11 0.00 0.00 41.96 40.04 1khn s TYR 402 CO 0.00 -0.90 1.16 0.41 -1.11 0.00 0.00 175.55 175.12 1khn n GLY 403 N 4.51 3.33 0.49 0.71 0.00 -1.26 -0.58 105.19 112.38 1khn n GLY 403 Ca 0.01 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.63 1khn n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1khn n ASN 404 N -0.47 2.96 -3.63 1.61 0.23 -1.26 -4.80 115.26 109.91 1khn n ASN 404 Ca 0.18 -2.56 -0.04 0.00 -0.53 0.00 0.00 54.58 51.63 1khn n ASN 404 Cb 0.90 -0.33 -0.06 0.00 -2.08 0.00 0.00 39.78 38.21 1khn n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1khn s SER 405 N -1.70 -0.93 0.09 0.53 0.15 -1.26 -4.61 113.70 105.97 1khn s SER 405 Ca 0.27 1.40 0.26 0.00 0.70 0.00 0.00 55.95 58.58 1khn s SER 405 Cb 0.20 1.66 0.79 0.00 -1.71 0.00 0.00 66.02 66.97 1khn s SER 405 CO 0.08 -0.21 1.66 -0.62 1.20 0.00 0.00 173.24 175.35 1khn n GLU 406 N 4.63 0.14 -1.27 5.44 1.02 -1.26 -4.82 120.64 124.52 1khn n GLU 406 Ca -0.17 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 1khn n GLU 406 Cb 0.55 -1.63 0.22 0.00 -0.02 0.00 0.00 31.44 30.56 1khn n GLU 406 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1khn s GLU 407 N -3.07 -0.71 -0.02 3.49 0.41 -1.26 -4.89 118.70 112.66 1khn s GLU 407 Ca 0.11 -0.10 0.01 0.00 -0.41 0.00 0.00 54.97 54.58 1khn s GLU 407 Cb 0.16 -1.66 0.07 0.00 -1.78 0.00 0.00 34.13 30.92 1khn s GLU 407 CO 0.62 -3.37 0.63 -0.25 -0.49 0.00 0.00 175.26 172.41 1khn n ASP 408 N -4.51 1.48 -3.67 -0.19 9.92 -1.26 -4.69 116.55 113.63 1khn n ASP 408 Ca 0.13 -2.08 -0.09 0.00 -0.53 0.00 0.00 54.79 52.22 1khn n ASP 408 Cb 0.59 -0.52 -0.09 0.00 -0.64 0.00 0.00 41.12 40.47 1khn n ASP 408 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1khn s SER 409 N -0.02 -0.64 0.23 -2.24 0.15 -1.26 -4.87 113.70 105.04 1khn s SER 409 Ca 0.05 1.13 -0.30 0.00 0.70 0.00 0.00 55.95 57.53 1khn s SER 409 Cb 0.04 1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 65.39 1khn s SER 409 CO 0.01 -0.21 0.97 -1.10 1.20 0.00 0.00 173.24 174.11 1khn s GLN 410 N 1.75 4.80 0.42 5.44 -1.52 -0.60 -4.75 119.66 125.20 1khn s GLN 410 Ca -0.08 1.54 0.01 0.00 -1.95 0.00 0.00 55.36 54.88 1khn s GLN 410 Cb -0.08 -3.28 -0.01 0.00 -0.22 0.00 0.00 33.01 29.42 1khn s GLN 410 CO -0.15 0.42 0.62 -1.21 -0.25 0.00 0.00 175.29 174.71 1khn s GLU 411 N -1.02 3.14 1.24 2.91 2.02 -1.26 -4.44 118.70 121.28 1khn s GLU 411 Ca 0.43 -0.55 -0.21 0.00 0.02 0.00 0.00 54.97 54.66 1khn s GLU 411 Cb -0.27 -2.62 0.31 0.00 0.10 0.00 0.00 34.13 31.66 1khn s GLU 411 CO 0.33 -0.15 1.05 0.72 0.02 0.00 0.00 175.26 177.23 1khn n HIS 412 N -1.96 -3.87 -3.95 1.61 8.25 -1.26 -2.44 115.22 111.60 1khn n HIS 412 Ca 0.00 -0.95 -0.10 0.00 -0.26 0.00 0.00 57.72 56.41 1khn n HIS 412 Cb 0.57 -1.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 1khn n HIS 412 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1khn s THR 413 N -2.84 0.07 -2.15 1.59 -4.23 -0.99 -4.71 115.64 102.38 1khn s THR 413 Ca 0.69 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 60.06 1khn s THR 413 Cb -0.07 -1.82 0.57 0.00 1.34 0.00 0.00 72.50 72.52 1khn s THR 413 CO 0.54 -0.30 1.49 0.61 -0.54 0.00 0.00 174.62 176.42 1khn n GLY 414 N -0.21 2.15 3.73 3.99 0.00 -1.26 -3.23 105.19 110.36 1khn n GLY 414 Ca -0.08 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1khn n GLY 414 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1khn n SER 415 N 1.56 3.64 -4.72 1.61 2.88 -1.26 -4.87 113.62 112.47 1khn n SER 415 Ca 0.23 1.15 -0.36 0.00 -1.33 0.00 0.00 58.87 58.56 1khn n SER 415 Cb 0.61 -1.56 0.09 0.00 -0.75 0.00 0.00 64.21 62.59 1khn n SER 415 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1khn s GLN 416 N -0.59 2.24 0.27 -1.46 -2.07 -1.26 -4.35 119.66 112.45 1khn s GLN 416 Ca 0.64 1.97 0.03 0.00 -1.82 0.00 0.00 55.36 56.18 1khn s GLN 416 Cb -0.52 -1.82 -0.03 0.00 -1.09 0.00 0.00 33.01 29.55 1khn s GLN 416 CO 0.50 -1.81 0.24 -0.48 -1.32 0.00 0.00 175.29 172.41 1khn s LEU 417 N -4.81 1.41 0.35 2.60 2.34 -1.11 -4.90 118.68 114.55 1khn s LEU 417 Ca 0.80 -1.56 -0.28 0.00 0.06 0.00 0.00 54.13 53.14 1khn s LEU 417 Cb -0.35 0.58 -0.10 0.00 -0.56 0.00 0.00 46.19 45.76 1khn s LEU 417 CO 0.43 -0.99 1.34 -0.60 -1.06 0.00 0.00 176.35 175.47 1khn s ARG 418 N -3.73 4.27 -0.04 1.48 3.52 -1.26 -1.31 118.95 121.88 1khn s ARG 418 Ca 0.39 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1khn s ARG 418 Cb 0.04 -3.02 0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1khn s ARG 418 CO 0.20 -0.28 -0.00 -1.50 -0.81 0.00 0.00 175.30 172.91 1khn s ILE 419 N -1.15 0.28 0.02 4.11 1.10 -0.20 -4.18 121.20 121.18 1khn s ILE 419 Ca 0.50 0.07 -0.01 0.00 -0.51 0.00 0.00 60.65 60.71 1khn s ILE 419 Cb -0.41 -0.38 -0.02 0.00 0.15 0.00 0.00 42.46 41.80 1khn s ILE 419 CO 0.54 0.19 -0.02 0.00 -2.11 0.00 0.00 174.94 173.54 1khn s ALA 420 N 1.28 0.16 0.19 1.50 0.00 -0.33 -1.41 121.76 123.14 1khn s ALA 420 Ca -0.06 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 1khn s ALA 420 Cb -0.13 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1khn s ALA 420 CO -0.02 -0.20 0.47 0.00 0.00 0.00 0.00 175.76 176.01 1khn s ALA 421 N -1.85 -0.69 -0.03 0.00 0.00 -0.63 -0.20 121.76 118.36 1khn s ALA 421 Ca -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1khn s ALA 421 Cb -0.07 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1khn s ALA 421 CO -0.02 -0.78 0.08 -0.47 0.00 0.00 0.00 175.76 174.57 1khn s TYR 422 N -3.90 -0.08 0.00 0.00 5.04 0.23 -2.64 117.35 115.99 1khn s TYR 422 Ca 0.12 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1khn s TYR 422 Cb -0.00 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1khn s TYR 422 CO -0.01 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 1khn n GLY 423 N 3.41 0.31 3.73 8.97 0.00 -1.26 -0.46 105.19 119.90 1khn n GLY 423 Ca -0.17 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.13 1khn n GLY 423 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1khn s PRO 424 N 0.00 4.28 -0.86 1.61 0.02 -1.25 -2.68 135.00 136.12 1khn s PRO 424 Ca 0.00 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1khn s PRO 424 Cb 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1khn s PRO 424 CO 0.00 -0.44 0.00 0.72 -0.33 0.00 0.00 177.00 176.95 1khn n HIS 425 N 2.97 0.00 0.37 6.54 8.25 0.50 -4.71 115.22 129.13 1khn n HIS 425 Ca 0.09 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.69 1khn n HIS 425 Cb 0.41 -1.74 0.53 0.00 1.12 0.00 0.00 29.99 30.30 1khn n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1khn h ALA 426 N 0.00 1.00 0.00 -1.41 0.00 -1.71 -3.03 119.26 114.12 1khn h ALA 426 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1khn h ALA 426 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1khn h ALA 426 CO 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.49 1khn h ALA 427 N 2.18 1.00 0.00 0.00 0.00 -1.86 -2.25 119.26 118.33 1khn h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1khn h ALA 427 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1khn h ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1khn n ASN 428 N -3.09 0.00 -0.00 0.00 3.02 -1.14 -2.50 115.26 111.55 1khn n ASN 428 Ca -0.01 -1.03 0.11 0.00 -0.03 0.00 0.00 54.58 53.61 1khn n ASN 428 Cb 0.17 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.19 1khn n ASN 428 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1khn n VAL 429 N -0.87 0.05 -2.17 2.41 0.31 -0.84 -4.98 118.33 112.23 1khn n VAL 429 Ca 0.15 -0.46 -0.33 0.00 -0.01 0.00 0.00 64.34 63.69 1khn n VAL 429 Cb 0.07 0.06 -0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1khn n VAL 429 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1khn s VAL 430 N -3.46 3.79 0.00 2.52 1.01 -1.04 -3.56 120.40 119.65 1khn s VAL 430 Ca -0.06 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1khn s VAL 430 Cb 0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1khn s VAL 430 CO 0.90 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1khn n GLY 431 N -0.77 -1.23 3.80 4.51 0.00 -1.25 -4.77 105.19 105.48 1khn n GLY 431 Ca 0.09 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1khn n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1khn s LEU 432 N 0.00 4.48 0.00 0.99 2.96 -1.26 -2.49 118.68 123.37 1khn s LEU 432 Ca 0.00 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 1khn s LEU 432 Cb 0.00 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.85 1khn s LEU 432 CO 0.00 0.23 0.17 0.35 -1.32 0.00 0.00 176.35 175.78 1khn n THR 433 N 2.06 0.00 -4.30 3.68 -2.24 -1.12 -5.01 114.28 107.35 1khn n THR 433 Ca -0.10 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 60.90 1khn n THR 433 Cb 0.51 0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 1khn n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1khn s ASP 434 N -1.70 2.60 0.50 3.42 2.15 -1.26 -1.65 116.67 120.73 1khn s ASP 434 Ca 0.09 -0.74 0.30 0.00 0.43 0.00 0.00 52.55 52.63 1khn s ASP 434 Cb -0.00 -0.15 1.40 0.00 -0.30 0.00 0.00 42.92 43.87 1khn s ASP 434 CO 0.06 0.03 1.84 -0.61 -0.17 0.00 0.00 175.17 176.33 1khn h GLN 435 N 3.83 0.10 0.00 4.34 4.15 -1.08 0.27 115.11 126.73 1khn h GLN 435 Ca -0.45 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 58.85 1khn h GLN 435 Cb 1.19 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1khn h GLN 435 CO 0.43 0.07 -0.56 1.79 -1.93 0.00 0.00 178.83 178.63 1khn h THR 436 N 0.10 1.13 0.00 2.39 1.35 -1.84 -2.87 112.91 113.18 1khn h THR 436 Ca 0.50 -2.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.21 1khn h THR 436 Cb 1.80 2.24 -0.00 0.00 -1.73 0.00 0.00 68.15 70.45 1khn h THR 436 CO -0.07 0.54 -0.16 0.44 -0.25 0.00 0.00 175.52 176.02 1khn h ASP 437 N 0.00 0.00 -0.59 5.36 3.32 -0.77 -2.39 116.42 121.34 1khn h ASP 437 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1khn h ASP 437 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1khn h ASP 437 CO 0.07 0.16 0.38 0.25 -1.72 0.00 0.00 179.24 178.38 1khn h LEU 438 N 0.00 0.69 -0.38 1.55 5.85 -1.46 0.17 115.31 121.73 1khn h LEU 438 Ca -0.00 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1khn h LEU 438 Cb 0.34 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1khn h LEU 438 CO 0.02 0.52 0.03 0.15 -0.34 0.00 0.00 178.44 178.82 1khn h PHE 439 N 0.81 0.03 0.00 1.25 3.57 -1.42 -1.42 116.94 119.77 1khn h PHE 439 Ca 0.22 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1khn h PHE 439 Cb -0.07 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1khn h PHE 439 CO -0.03 -0.04 -0.38 1.88 -2.23 0.00 0.00 178.31 177.51 1khn h TYR 440 N 0.14 0.00 -0.34 0.41 0.05 -1.44 -1.37 116.97 114.42 1khn h TYR 440 Ca 0.18 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 1khn h TYR 440 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1khn h TYR 440 CO -0.23 0.38 -0.32 1.15 -1.05 0.00 0.00 178.16 178.09 1khn h THR 441 N 0.00 1.29 0.04 -2.88 2.02 0.30 -2.33 112.91 111.35 1khn h THR 441 Ca -0.00 -1.49 -0.27 0.00 0.77 0.00 0.00 66.41 65.42 1khn h THR 441 Cb 0.77 1.48 0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1khn h THR 441 CO 0.05 0.49 -1.08 0.24 0.37 0.00 0.00 175.52 175.59 1khn h MET 442 N 0.59 0.59 -0.27 6.66 2.86 -1.19 -1.69 114.93 122.48 1khn h MET 442 Ca 0.06 -0.69 0.02 0.00 -2.06 0.00 0.00 59.70 57.03 1khn h MET 442 Cb 0.90 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1khn h MET 442 CO 0.08 1.28 0.10 -0.22 1.06 0.00 0.00 176.91 179.22 1khn h LYS 443 N 0.31 0.22 -0.11 1.72 3.64 -1.27 -2.16 116.57 118.93 1khn h LYS 443 Ca -0.13 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 1khn h LYS 443 Cb 1.74 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1khn h LYS 443 CO 0.20 0.15 -0.63 0.00 -2.27 0.00 0.00 179.45 176.90 1khn h ALA 444 N 1.16 0.71 -0.53 5.00 0.00 -1.44 0.15 119.26 124.31 1khn h ALA 444 Ca 0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1khn h ALA 444 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1khn h ALA 444 CO -0.11 0.73 0.01 0.00 0.00 0.00 0.00 179.25 179.88 1khn h ALA 445 N 1.03 0.71 0.00 0.00 0.00 -1.21 -2.32 119.26 117.48 1khn h ALA 445 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1khn h ALA 445 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1khn h ALA 445 CO 0.11 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1khn h LEU 446 N 0.80 0.00 0.07 0.00 3.38 -1.38 0.18 115.31 118.36 1khn h LEU 446 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1khn h LEU 446 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1khn h LEU 446 CO 0.02 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.14 1khn n GLY 447 N 0.63 0.43 3.64 0.83 0.00 -0.71 -4.90 105.19 105.11 1khn n GLY 447 Ca 0.03 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1khn n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1khn s LEU 448 N -0.25 2.24 0.00 0.99 1.02 0.44 -4.98 118.68 118.14 1khn s LEU 448 Ca 0.00 1.86 0.26 0.00 0.02 0.00 0.00 54.13 56.28 1khn s LEU 448 Cb 0.00 -4.16 0.65 0.00 0.02 0.00 0.00 46.19 42.70 1khn s LEU 448 CO 0.00 -3.21 1.52 2.29 0.02 0.00 0.00 176.35 176.97