#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khz n SER 0 N 0.00 0.19 -0.25 0.00 7.64 -1.26 -3.05 113.62 116.89 3khz n SER 0 Ca 0.00 -1.98 0.17 0.00 1.01 0.00 0.00 58.87 58.07 3khz n SER 0 Cb 0.00 -0.09 0.47 0.00 -1.01 0.00 0.00 64.21 63.57 3khz n SER 0 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3khz h MET 1 N 0.00 0.48 -0.71 1.43 1.85 -2.02 0.95 114.93 116.91 3khz h MET 1 Ca 0.00 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.19 3khz h MET 1 Cb 0.09 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 31.92 3khz h MET 1 CO 0.00 0.32 0.25 -1.49 -0.40 0.00 0.00 176.91 175.59 3khz h TRP 2 N 0.50 0.43 0.00 1.39 -0.00 -1.92 -1.53 115.95 114.82 3khz h TRP 2 Ca 0.47 0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 59.30 3khz h TRP 2 Cb 1.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 3khz h TRP 2 CO -0.00 0.04 -0.44 0.87 -0.00 0.00 0.00 178.44 178.91 3khz h LYS 3 N 0.40 0.00 0.00 0.49 1.57 0.65 -2.15 116.57 117.53 3khz h LYS 3 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3khz h LYS 3 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3khz h LYS 3 CO -0.40 0.44 -0.25 1.05 -0.57 0.00 0.00 179.45 179.72 3khz h GLU 4 N 0.00 0.00 0.07 3.15 4.11 -0.54 -2.84 114.58 118.53 3khz h GLU 4 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.17 3khz h GLU 4 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3khz h GLU 4 CO 0.06 0.00 -1.19 -0.22 0.07 0.00 0.00 179.01 177.73 3khz h LYS 5 N 0.00 0.15 -0.39 1.06 3.64 -0.66 -3.18 116.57 117.19 3khz h LYS 5 Ca 0.00 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 3khz h LYS 5 Cb 0.95 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3khz h LYS 5 CO 0.00 1.09 -0.37 0.28 -2.27 0.00 0.00 179.45 178.18 3khz h VAL 6 N 0.04 1.27 -1.30 2.00 2.07 -1.51 -3.03 116.25 115.79 3khz h VAL 6 Ca -0.10 -1.54 0.43 0.00 0.82 0.00 0.00 66.70 66.30 3khz h VAL 6 Cb 1.89 1.35 -0.13 0.00 -1.52 0.00 0.00 31.29 32.89 3khz h VAL 6 CO 0.16 0.52 0.84 -0.61 0.02 0.00 0.00 177.57 178.50 3khz h GLN 7 N 0.77 0.10 0.00 1.57 5.75 -1.47 0.80 115.11 122.63 3khz h GLN 7 Ca 0.07 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3khz h GLN 7 Cb 0.96 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.49 3khz h GLN 7 CO 0.09 0.06 0.00 1.04 -2.65 0.00 0.00 178.83 177.38 3khz n GLN 8 N -4.69 0.59 0.00 1.69 1.13 -1.14 -2.77 117.38 112.18 3khz n GLN 8 Ca 0.37 0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.47 3khz n GLN 8 Cb 1.40 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 30.26 3khz n GLN 8 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3khz n TYR 9 N -1.15 0.00 -0.40 1.08 4.01 0.28 -4.83 117.16 116.14 3khz n TYR 9 Ca 0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.83 3khz n TYR 9 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3khz n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3khz n GLU 10 N 0.00 -0.35 -0.09 -0.72 1.02 -1.11 -0.47 120.64 118.92 3khz n GLU 10 Ca 0.02 1.51 -0.06 0.00 -0.02 0.00 0.00 57.16 58.61 3khz n GLU 10 Cb 0.10 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 3khz n GLU 10 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3khz h ASP 11 N 0.00 -0.37 0.07 1.62 3.32 -1.88 -0.85 116.42 118.33 3khz h ASP 11 Ca 0.23 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 3khz h ASP 11 Cb 0.48 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3khz h ASP 11 CO -0.95 -0.13 -0.19 1.56 -1.72 0.00 0.00 179.24 177.81 3khz h GLN 12 N -0.03 0.23 0.55 3.56 4.20 -1.12 -1.13 115.11 121.37 3khz h GLN 12 Ca 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3khz h GLN 12 Cb 0.28 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.04 3khz h GLN 12 CO -0.36 0.41 -0.26 0.82 -0.67 0.00 0.00 178.83 178.77 3khz h ILE 13 N 0.21 0.11 -0.59 2.54 2.04 -0.28 -1.95 117.51 119.59 3khz h ILE 13 Ca 0.04 -0.46 0.12 0.00 1.00 0.00 0.00 64.86 65.56 3khz h ILE 13 Cb 0.46 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 3khz h ILE 13 CO 0.03 0.02 -0.17 0.40 0.00 0.00 0.00 178.15 178.43 3khz h ILE 14 N -1.15 0.37 -0.25 -0.67 5.03 -1.14 0.12 117.51 119.82 3khz h ILE 14 Ca -0.08 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.68 3khz h ILE 14 Cb 0.60 0.37 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 3khz h ILE 14 CO 0.12 0.00 0.12 0.78 -0.68 0.00 0.00 178.15 178.50 3khz h ASN 15 N -0.03 0.18 0.30 1.72 2.35 -1.25 0.47 115.58 119.32 3khz h ASN 15 Ca 0.28 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3khz h ASN 15 Cb 0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3khz h ASN 15 CO -0.63 0.14 -0.32 0.44 -1.65 0.00 0.00 177.43 175.41 3khz h ASP 16 N 0.26 0.04 -0.17 5.81 3.32 -0.80 -2.30 116.42 122.59 3khz h ASP 16 Ca 0.10 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3khz h ASP 16 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3khz h ASP 16 CO -0.08 0.36 -0.34 0.25 -1.72 0.00 0.00 179.24 177.72 3khz h LEU 17 N 0.04 0.59 0.24 1.55 5.85 0.28 -2.71 115.31 121.14 3khz h LEU 17 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3khz h LEU 17 Cb 0.59 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3khz h LEU 17 CO 0.04 1.03 -0.47 0.11 -0.34 0.00 0.00 178.44 178.81 3khz h LYS 18 N 0.16 -0.74 -0.94 1.25 1.57 0.26 0.98 116.57 119.11 3khz h LYS 18 Ca 0.01 0.05 0.29 0.00 -1.87 0.00 0.00 60.65 59.12 3khz h LYS 18 Cb 0.93 0.17 -0.16 0.00 0.08 0.00 0.00 32.23 33.25 3khz h LYS 18 CO 0.07 -0.49 0.27 0.78 -0.57 0.00 0.00 179.45 179.51 3khz h GLY 19 N -0.77 1.57 1.45 3.86 0.00 -1.46 0.32 103.07 108.05 3khz h GLY 19 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 3khz h GLY 19 CO -0.19 -0.50 -0.52 -2.00 0.00 0.00 0.00 176.54 173.34 3khz h LEU 20 N 0.13 0.64 -0.77 3.11 5.85 -0.89 -2.97 115.31 120.42 3khz h LEU 20 Ca 0.64 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 3khz h LEU 20 Cb 1.40 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3khz h LEU 20 CO -0.74 1.04 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.75 3khz h LEU 21 N 0.45 0.00 -0.57 2.25 3.38 0.20 -3.01 115.31 118.02 3khz h LEU 21 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3khz h LEU 21 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3khz h LEU 21 CO 0.10 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3khz n ALA 22 N -2.40 1.69 -2.60 1.53 0.00 -0.24 -4.52 120.51 113.97 3khz n ALA 22 Ca -0.01 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 3khz n ALA 22 Cb 0.61 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3khz n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khz s ILE 23 N -3.26 4.64 -1.19 0.00 1.01 -1.14 -4.87 121.20 116.38 3khz s ILE 23 Ca 0.05 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.67 3khz s ILE 23 Cb 0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3khz s ILE 23 CO 0.38 -0.47 1.90 1.21 0.00 0.00 0.00 174.94 177.96 3khz n GLU 24 N 6.64 2.23 -2.93 2.79 2.13 -1.26 -4.82 120.64 125.42 3khz n GLU 24 Ca 0.06 -2.66 -0.44 0.00 0.66 0.00 0.00 57.16 54.79 3khz n GLU 24 Cb 0.48 -3.50 0.00 0.00 0.27 0.00 0.00 31.44 28.69 3khz n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3khz n SER 25 N 10.68 5.55 -4.39 4.31 3.41 -1.26 -4.37 113.62 127.55 3khz n SER 25 Ca 0.48 -3.12 -0.33 0.00 -0.26 0.00 0.00 58.87 55.64 3khz n SER 25 Cb 0.45 -1.43 -0.14 0.00 -0.26 0.00 0.00 64.21 62.82 3khz n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3khz s VAL 26 N -0.46 2.86 0.29 -3.33 1.01 -1.26 -0.08 120.40 119.44 3khz s VAL 26 Ca 0.36 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3khz s VAL 26 Cb -0.00 -2.15 -0.12 0.00 0.00 0.00 0.00 36.38 34.11 3khz s VAL 26 CO 0.00 0.56 1.42 -1.14 0.00 0.00 0.00 175.10 175.94 3khz n ARG 27 N 2.99 2.26 -3.37 2.72 0.63 -1.26 -4.46 116.66 116.17 3khz n ARG 27 Ca -0.18 0.80 -0.16 0.00 -0.92 0.00 0.00 57.85 57.39 3khz n ARG 27 Cb 0.52 -2.47 -0.08 0.00 0.45 0.00 0.00 32.46 30.88 3khz n ARG 27 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3khz s ASP 28 N 0.12 1.33 0.00 6.15 -1.08 -0.87 -5.01 116.67 117.31 3khz s ASP 28 Ca 0.62 -1.05 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 3khz s ASP 28 Cb -0.58 0.59 0.78 0.00 -1.46 0.00 0.00 42.92 42.26 3khz s ASP 28 CO 0.54 -0.33 1.29 0.47 0.52 0.00 0.00 175.17 177.66 3khz n ASP 29 N 4.88 0.00 -0.10 -0.34 8.00 -1.26 -1.16 116.55 126.56 3khz n ASP 29 Ca 0.04 -0.26 0.14 0.00 0.71 0.00 0.00 54.79 55.42 3khz n ASP 29 Cb 0.46 -0.10 0.56 0.00 -0.02 0.00 0.00 41.12 42.02 3khz n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khz n ALA 30 N -1.10 2.82 -0.26 2.24 0.00 -1.26 -3.53 120.51 119.43 3khz n ALA 30 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.27 3khz n ALA 30 Cb 0.07 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.22 3khz n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3khz n LYS 31 N -1.04 2.41 -2.00 0.00 4.01 -0.31 -5.06 118.16 116.16 3khz n LYS 31 Ca 0.13 -1.47 -0.39 0.00 -0.51 0.00 0.00 58.31 56.07 3khz n LYS 31 Cb 0.29 -0.98 0.01 0.00 -0.51 0.00 0.00 35.03 33.85 3khz n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3khz s ALA 32 N -1.03 3.09 0.28 7.82 0.00 -1.23 -4.31 121.76 126.37 3khz s ALA 32 Ca 0.03 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 3khz s ALA 32 Cb 0.03 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3khz s ALA 32 CO 0.00 -0.96 0.70 -1.54 0.00 0.00 0.00 175.76 173.96 3khz s SER 33 N -0.90 -0.25 0.65 0.00 1.04 0.29 -4.89 113.70 109.63 3khz s SER 33 Ca 0.62 -0.62 0.37 0.00 0.48 0.00 0.00 55.95 56.80 3khz s SER 33 Cb -0.37 0.72 2.07 0.00 0.10 0.00 0.00 66.02 68.53 3khz s SER 33 CO 0.46 -1.33 2.22 -0.08 0.98 0.00 0.00 173.24 175.49 3khz h GLU 34 N 2.02 0.00 0.00 4.02 4.81 -1.95 0.50 114.58 123.97 3khz h GLU 34 Ca -0.20 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.83 3khz h GLU 34 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3khz h GLU 34 CO 0.24 0.00 -1.52 -0.25 -0.73 0.00 0.00 179.01 176.75 3khz n ASP 35 N -3.25 0.85 -3.33 1.04 8.00 -1.26 -4.55 116.55 114.04 3khz n ASP 35 Ca -0.02 0.38 -0.26 0.00 0.71 0.00 0.00 54.79 55.61 3khz n ASP 35 Cb 0.18 0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 3khz n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khz n ALA 36 N -2.45 3.00 -0.31 2.24 0.00 0.04 -4.91 120.51 118.12 3khz n ALA 36 Ca -0.12 -3.81 0.14 0.00 0.00 0.00 0.00 53.44 49.65 3khz n ALA 36 Cb 0.90 -0.84 0.29 0.00 0.00 0.00 0.00 19.45 19.81 3khz n ALA 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3khz h PRO 37 N 4.39 0.11 -0.03 0.00 0.11 -1.44 0.11 132.00 135.26 3khz h PRO 37 Ca 0.14 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3khz h PRO 37 Cb 0.82 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3khz h PRO 37 CO 0.57 0.07 -0.18 1.33 -0.21 0.00 0.00 178.00 179.58 3khz n VAL 38 N -5.33 2.06 0.00 3.15 0.24 -1.26 -4.45 118.33 112.74 3khz n VAL 38 Ca 0.22 -2.62 0.00 0.00 -2.04 0.00 0.00 64.34 59.90 3khz n VAL 38 Cb 0.73 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3khz n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khz n GLY 39 N -1.26 1.60 0.12 7.63 0.00 -0.58 -2.05 105.19 110.64 3khz n GLY 39 Ca 0.18 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 3khz n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khz h PRO 40 N 0.00 0.00 0.05 1.61 0.14 -1.86 -3.18 132.00 128.75 3khz h PRO 40 Ca 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.14 3khz h PRO 40 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.14 3khz h PRO 40 CO 0.00 0.69 -0.05 0.78 0.14 0.00 0.00 178.00 179.55 3khz h GLY 41 N 2.91 -0.80 0.96 1.56 0.00 -1.79 -1.94 103.07 103.96 3khz h GLY 41 Ca -0.01 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.74 3khz h GLY 41 CO 0.09 -0.29 0.51 -2.55 0.00 0.00 0.00 176.54 174.30 3khz h PRO 42 N -0.10 0.81 -0.58 4.80 0.11 -1.78 -0.94 132.00 134.31 3khz h PRO 42 Ca -0.01 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.12 3khz h PRO 42 Cb 0.09 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 30.96 3khz h PRO 42 CO -0.01 0.54 0.28 -0.09 -0.21 0.00 0.00 178.00 178.51 3khz h ARG 43 N 0.83 0.51 0.00 1.05 9.65 -1.51 -2.10 114.38 122.81 3khz h ARG 43 Ca 0.34 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.14 3khz h ARG 43 Cb 0.26 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3khz h ARG 43 CO -0.12 0.34 -0.24 0.87 2.80 0.00 0.00 179.97 183.62 3khz h LYS 44 N 0.53 0.00 -0.06 0.20 1.79 -0.36 -2.29 116.57 116.38 3khz h LYS 44 Ca 0.27 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.50 3khz h LYS 44 Cb 0.22 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 3khz h LYS 44 CO -0.21 0.24 -0.92 0.00 -1.08 0.00 0.00 179.45 177.49 3khz h ALA 45 N 1.76 0.26 0.42 3.86 0.00 -1.13 0.97 119.26 125.40 3khz h ALA 45 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3khz h ALA 45 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3khz h ALA 45 CO 0.03 0.71 -0.36 1.25 0.00 0.00 0.00 179.25 180.88 3khz h LEU 46 N 0.41 -0.95 -1.66 0.00 5.85 -1.28 -2.22 115.31 115.46 3khz h LEU 46 Ca -0.09 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3khz h LEU 46 Cb 1.55 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3khz h LEU 46 CO 0.18 -0.52 0.43 0.44 -0.34 0.00 0.00 178.44 178.63 3khz h ASP 47 N -0.79 0.33 -0.41 1.25 3.32 -1.34 0.27 116.42 119.05 3khz h ASP 47 Ca -0.04 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3khz h ASP 47 Cb 0.69 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3khz h ASP 47 CO -0.02 0.19 0.07 0.22 -1.72 0.00 0.00 179.24 177.97 3khz h TYR 48 N 0.36 0.79 -0.19 4.55 3.20 -0.36 -0.57 116.97 124.76 3khz h TYR 48 Ca 0.30 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3khz h TYR 48 Cb 0.69 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3khz h TYR 48 CO -0.00 0.70 -0.02 0.52 -1.64 0.00 0.00 178.16 177.73 3khz h MET 49 N 0.73 0.34 -0.70 1.82 2.86 -0.40 -1.87 114.93 117.71 3khz h MET 49 Ca 0.16 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 3khz h MET 49 Cb 0.34 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.90 3khz h MET 49 CO 0.01 0.57 0.29 1.88 1.06 0.00 0.00 176.91 180.72 3khz h TYR 50 N 0.08 0.51 -0.25 -0.22 0.05 -0.85 -1.53 116.97 114.76 3khz h TYR 50 Ca 0.05 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3khz h TYR 50 Cb 0.42 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3khz h TYR 50 CO 0.04 0.12 0.09 0.93 -1.05 0.00 0.00 178.16 178.28 3khz h GLU 51 N 0.47 0.39 0.00 4.88 5.08 -0.92 0.13 114.58 124.61 3khz h GLU 51 Ca 0.37 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3khz h GLU 51 Cb 0.49 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3khz h GLU 51 CO -0.34 0.45 -0.38 -0.84 -1.00 0.00 0.00 179.01 176.90 3khz h ILE 52 N 0.25 1.27 -0.02 3.13 3.07 -1.14 0.69 117.51 124.76 3khz h ILE 52 Ca 0.08 -1.29 -0.00 0.00 1.55 0.00 0.00 64.86 65.20 3khz h ILE 52 Cb 0.22 1.70 -0.00 0.00 -0.27 0.00 0.00 36.82 38.46 3khz h ILE 52 CO -0.00 0.37 0.01 0.00 -1.05 0.00 0.00 178.15 177.47 3khz h ALA 53 N 1.62 0.03 -0.86 0.16 0.00 -0.85 -1.59 119.26 117.77 3khz h ALA 53 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3khz h ALA 53 Cb 0.67 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3khz h ALA 53 CO 0.05 -0.41 0.51 0.45 0.00 0.00 0.00 179.25 179.85 3khz h HIS 54 N -0.09 1.14 0.00 0.00 3.86 -0.39 -1.17 115.15 118.49 3khz h HIS 54 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3khz h HIS 54 Cb 0.13 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 3khz h HIS 54 CO -0.03 0.77 -0.01 -0.09 0.86 0.00 0.00 177.93 179.42 3khz h ARG 55 N 1.18 0.00 -0.11 2.45 2.43 -0.37 -1.14 114.38 118.82 3khz h ARG 55 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3khz h ARG 55 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3khz h ARG 55 CO -0.06 0.01 0.00 -0.25 -1.51 0.00 0.00 179.97 178.16 3khz n ASP 56 N -3.90 2.96 0.00 -3.80 8.00 -0.65 -4.99 116.55 114.18 3khz n ASP 56 Ca -0.03 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3khz n ASP 56 Cb 0.09 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3khz n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khz n GLY 57 N 1.27 0.91 3.90 0.44 0.00 -0.43 -5.07 105.19 106.20 3khz n GLY 57 Ca 0.14 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3khz n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khz s PHE 58 N -2.00 3.56 0.46 1.61 0.08 -0.65 -5.01 117.98 116.03 3khz s PHE 58 Ca 0.00 0.41 -0.23 0.00 0.12 0.00 0.00 56.93 57.23 3khz s PHE 58 Cb 0.00 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 3khz s PHE 58 CO 0.00 0.64 1.22 0.99 -0.10 0.00 0.00 175.22 177.97 3khz s THR 59 N -1.32 2.86 0.22 0.64 2.01 -1.26 -4.25 115.64 114.54 3khz s THR 59 Ca 0.27 0.67 0.04 0.00 0.31 0.00 0.00 61.69 62.98 3khz s THR 59 Cb -0.13 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3khz s THR 59 CO 0.18 0.02 -0.02 0.42 -0.69 0.00 0.00 174.62 174.53 3khz s THR 60 N -1.45 1.07 -0.11 -0.82 -4.23 -1.26 -1.71 115.64 107.14 3khz s THR 60 Ca 0.63 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 3khz s THR 60 Cb -0.32 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.28 3khz s THR 60 CO 0.39 -0.38 0.25 -2.28 -0.54 0.00 0.00 174.62 172.06 3khz s HIS 61 N -3.39 -0.33 -0.09 3.99 5.04 -0.42 -4.96 115.29 115.13 3khz s HIS 61 Ca 0.27 0.79 -0.02 0.00 -1.54 0.00 0.00 55.06 54.56 3khz s HIS 61 Cb 0.05 0.06 -0.03 0.00 0.04 0.00 0.00 32.58 32.69 3khz s HIS 61 CO 0.08 -0.23 -0.01 0.34 -2.34 0.00 0.00 174.74 172.58 3khz s ASP 62 N 1.20 5.15 -0.35 9.88 2.15 -1.26 -0.20 116.67 133.23 3khz s ASP 62 Ca -0.09 0.11 -0.02 0.00 0.43 0.00 0.00 52.55 52.99 3khz s ASP 62 Cb -0.10 -1.44 0.08 0.00 -0.30 0.00 0.00 42.92 41.16 3khz s ASP 62 CO -0.08 0.37 0.10 -0.69 -0.17 0.00 0.00 175.17 174.70 3khz s VAL 63 N -0.83 3.13 -1.25 1.11 1.01 0.75 -4.77 120.40 119.54 3khz s VAL 63 Ca 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.37 3khz s VAL 63 Cb -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3khz s VAL 63 CO 0.02 -0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.18 3khz n ASP 64 N 4.60 -3.51 -1.97 3.32 8.00 -1.26 -1.13 116.55 124.59 3khz n ASP 64 Ca -0.07 0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.51 3khz n ASP 64 Cb 0.42 -3.20 -0.05 0.00 -0.02 0.00 0.00 41.12 38.28 3khz n ASP 64 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3khz n HIS 65 N -2.32 -0.54 -0.05 1.24 8.25 -1.26 -4.81 115.22 115.72 3khz n HIS 65 Ca -0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.27 3khz n HIS 65 Cb 0.47 -3.57 -0.07 0.00 1.12 0.00 0.00 29.99 27.95 3khz n HIS 65 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3khz n ILE 66 N -3.08 0.69 -3.45 1.59 0.13 -0.29 -4.70 119.36 110.26 3khz n ILE 66 Ca -0.21 -0.38 -0.13 0.00 -1.10 0.00 0.00 62.75 60.93 3khz n ILE 66 Cb 0.66 -0.80 -0.03 0.00 -0.84 0.00 0.00 39.64 38.64 3khz n ILE 66 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3khz s ALA 67 N -2.24 -1.58 0.27 1.51 0.00 -1.19 -2.67 121.76 115.86 3khz s ALA 67 Ca -0.08 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 3khz s ALA 67 Cb 0.03 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.96 3khz s ALA 67 CO 0.37 -0.71 0.87 0.20 0.00 0.00 0.00 175.76 176.50 3khz s GLY 68 N -2.53 0.11 0.04 0.00 0.00 -0.84 -0.18 107.32 103.92 3khz s GLY 68 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3khz s GLY 68 CO -0.10 0.48 -0.10 1.09 0.00 0.00 0.00 173.10 174.48 3khz s ARG 69 N -2.75 0.63 -0.17 2.90 1.70 0.72 -1.32 118.95 120.66 3khz s ARG 69 Ca 0.16 -0.70 -0.10 0.00 -0.47 0.00 0.00 55.73 54.62 3khz s ARG 69 Cb -0.04 -0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.78 3khz s ARG 69 CO 0.07 0.11 0.16 0.42 -1.08 0.00 0.00 175.30 174.99 3khz s ILE 70 N -1.07 5.40 0.02 4.99 1.01 -0.09 -1.30 121.20 130.16 3khz s ILE 70 Ca -0.05 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.89 3khz s ILE 70 Cb -0.08 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3khz s ILE 70 CO 0.01 0.47 0.02 -1.61 0.00 0.00 0.00 174.94 173.83 3khz s GLU 71 N 0.07 2.80 0.37 2.79 2.02 -0.69 -0.25 118.70 125.80 3khz s GLU 71 Ca 0.11 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.34 3khz s GLU 71 Cb -0.12 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.48 3khz s GLU 71 CO 0.00 0.61 0.71 0.00 0.02 0.00 0.00 175.26 176.60 3khz n ALA 72 N 1.15 -1.51 -0.66 5.21 0.00 -0.86 -4.27 120.51 119.57 3khz n ALA 72 Ca -0.13 -1.23 0.01 0.00 0.00 0.00 0.00 53.44 52.09 3khz n ALA 72 Cb 0.52 0.98 -0.00 0.00 0.00 0.00 0.00 19.45 20.95 3khz n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khz n GLY 73 N -0.51 -1.36 3.52 0.00 0.00 -1.26 -0.63 105.19 104.95 3khz n GLY 73 Ca -0.07 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 3khz n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khz s LYS 74 N -0.07 0.93 0.00 1.61 -0.14 -1.08 -4.65 119.74 116.34 3khz s LYS 74 Ca 0.00 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 3khz s LYS 74 Cb 0.00 0.44 0.00 0.00 -1.68 0.00 0.00 37.83 36.59 3khz s LYS 74 CO 0.00 -0.23 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 3khz n GLY 75 N 1.62 2.88 0.14 -3.33 0.00 -1.26 -1.01 105.19 104.23 3khz n GLY 75 Ca -0.17 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3khz n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khz h ASN 76 N 0.00 0.38 -3.98 1.61 -0.26 -1.97 -3.35 115.58 108.01 3khz h ASN 76 Ca 0.00 -0.35 -0.45 0.00 -0.56 0.00 0.00 56.30 54.93 3khz h ASN 76 Cb 0.00 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 3khz h ASN 76 CO 0.00 0.64 0.35 -1.81 -1.06 0.00 0.00 177.43 175.55 3khz s ASP 77 N -5.95 7.08 -0.17 5.81 1.01 -1.26 -4.90 116.67 118.28 3khz s ASP 77 Ca -0.14 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 54.89 3khz s ASP 77 Cb 0.06 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3khz s ASP 77 CO 0.74 -0.26 -0.14 0.54 0.21 0.00 0.00 175.17 176.26 3khz s VAL 78 N -1.91 2.69 -0.20 -1.27 0.11 -1.26 -1.13 120.40 117.43 3khz s VAL 78 Ca 0.57 -0.74 -0.27 0.00 -2.93 0.00 0.00 61.98 58.61 3khz s VAL 78 Cb -0.14 -2.16 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 3khz s VAL 78 CO 0.18 0.50 0.91 -0.22 -3.33 0.00 0.00 175.10 173.15 3khz s LEU 79 N 1.06 4.14 -0.20 2.54 2.96 -0.53 -1.63 118.68 127.02 3khz s LEU 79 Ca -0.01 1.24 -0.09 0.00 -0.22 0.00 0.00 54.13 55.06 3khz s LEU 79 Cb -0.15 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 3khz s LEU 79 CO -0.04 -0.51 0.10 -0.83 -1.32 0.00 0.00 176.35 173.75 3khz s GLY 80 N 1.21 1.95 -0.30 7.98 0.00 0.11 -0.68 107.32 117.59 3khz s GLY 80 Ca 0.40 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.36 3khz s GLY 80 CO 0.10 0.16 -0.02 -0.42 0.00 0.00 0.00 173.10 172.92 3khz s ILE 81 N 0.54 2.60 -0.25 0.90 1.01 -0.57 -1.41 121.20 124.03 3khz s ILE 81 Ca 0.05 -1.66 -0.15 0.00 0.00 0.00 0.00 60.65 58.89 3khz s ILE 81 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3khz s ILE 81 CO 0.00 -0.18 0.39 -0.76 0.00 0.00 0.00 174.94 174.39 3khz s LEU 82 N 1.14 4.07 0.24 2.97 1.43 -1.00 -0.83 118.68 126.70 3khz s LEU 82 Ca -0.04 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3khz s LEU 82 Cb -0.20 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3khz s LEU 82 CO -0.04 -0.16 0.08 0.00 0.23 0.00 0.00 176.35 176.46 3khz s HIS 84 N -3.78 2.92 -1.35 0.00 3.76 -1.26 0.31 115.29 115.89 3khz s HIS 84 Ca 0.35 -0.05 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 3khz s HIS 84 Cb 0.07 -1.73 0.07 0.00 1.11 0.00 0.00 32.58 32.11 3khz s HIS 84 CO 0.12 0.26 0.83 1.33 -0.85 0.00 0.00 174.74 176.42 3khz n VAL 85 N 2.40 0.00 -2.21 -0.90 0.24 -0.79 -4.21 118.33 112.85 3khz n VAL 85 Ca -0.18 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.34 61.36 3khz n VAL 85 Cb 0.53 1.22 0.03 0.00 -1.47 0.00 0.00 33.84 34.15 3khz n VAL 85 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3khz s ASP 86 N -1.06 5.71 0.17 -1.34 -4.77 -1.26 -4.75 116.67 109.37 3khz s ASP 86 Ca 0.13 0.95 -0.10 0.00 -3.30 0.00 0.00 52.55 50.22 3khz s ASP 86 Cb 0.09 -1.93 -0.00 0.00 -1.09 0.00 0.00 42.92 39.99 3khz s ASP 86 CO 0.17 -1.06 0.32 -0.69 0.70 0.00 0.00 175.17 174.61 3khz s VAL 87 N -3.09 0.06 0.44 2.11 1.01 0.89 -4.45 120.40 117.37 3khz s VAL 87 Ca 0.54 -1.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3khz s VAL 87 Cb -0.11 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3khz s VAL 87 CO 0.48 -0.28 0.67 0.68 0.00 0.00 0.00 175.10 176.65 3khz s VAL 88 N -3.95 4.16 0.53 2.92 -7.23 -1.26 -4.34 120.40 111.22 3khz s VAL 88 Ca 0.15 -0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 3khz s VAL 88 Cb 0.03 -3.54 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 3khz s VAL 88 CO -0.01 -0.38 1.17 -2.84 -0.31 0.00 0.00 175.10 172.73 3khz s PRO 89 N -4.54 3.38 -0.00 4.82 0.02 -1.26 -4.95 135.00 132.47 3khz s PRO 89 Ca 0.47 1.75 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3khz s PRO 89 Cb -0.10 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 3khz s PRO 89 CO 0.38 -0.86 0.58 0.00 -0.33 0.00 0.00 177.00 176.78 3khz h ALA 90 N 1.41 -0.58 0.00 -1.55 0.00 -1.97 -3.45 119.26 113.13 3khz h ALA 90 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3khz h ALA 90 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3khz h ALA 90 CO 0.58 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3khz n GLY 91 N 0.28 1.35 3.69 0.00 0.00 -1.26 -4.92 105.19 104.34 3khz n GLY 91 Ca -0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 3khz n GLY 91 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khz s ASP 92 N -4.00 0.30 -0.93 1.61 3.84 -1.26 -4.59 116.67 111.63 3khz s ASP 92 Ca 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 52.55 51.33 3khz s ASP 92 Cb 0.00 0.77 0.32 0.00 -1.38 0.00 0.00 42.92 42.64 3khz s ASP 92 CO 0.00 -1.52 1.62 0.61 -0.00 0.00 0.00 175.17 175.88 3khz n GLY 93 N -0.53 5.99 3.39 2.12 0.00 -1.26 -4.81 105.19 110.08 3khz n GLY 93 Ca -0.05 -2.63 -0.45 0.00 0.00 0.00 0.00 46.02 42.89 3khz n GLY 93 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3khz n TRP 94 N -0.05 -0.87 -0.50 1.61 7.02 -1.26 -4.87 117.44 118.52 3khz n TRP 94 Ca 0.43 0.82 0.08 0.00 -1.02 0.00 0.00 57.50 57.80 3khz n TRP 94 Cb 0.29 -1.93 0.34 0.00 -2.42 0.00 0.00 31.31 27.59 3khz n TRP 94 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3khz n ASP 95 N 1.99 4.70 -3.66 -0.99 8.00 -1.26 -4.93 116.55 120.40 3khz n ASP 95 Ca 0.15 -2.58 -0.00 0.00 0.71 0.00 0.00 54.79 53.07 3khz n ASP 95 Cb 0.31 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 3khz n ASP 95 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3khz s SER 96 N -0.78 -0.10 -0.47 -2.24 0.15 -1.26 -5.12 113.70 103.87 3khz s SER 96 Ca 0.47 -0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 3khz s SER 96 Cb 0.33 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 3khz s SER 96 CO 0.19 -0.50 1.06 0.21 1.20 0.00 0.00 173.24 175.40 3khz s ASN 97 N -2.93 6.58 0.64 5.45 3.04 -1.26 -4.91 114.94 121.55 3khz s ASN 97 Ca 0.13 0.34 0.28 0.00 0.04 0.00 0.00 52.86 53.65 3khz s ASN 97 Cb 0.03 -2.51 1.48 0.00 -1.54 0.00 0.00 41.25 38.70 3khz s ASN 97 CO -0.02 -1.18 1.85 1.55 -3.04 0.00 0.00 177.10 176.26 3khz h PRO 98 N 9.18 0.00 0.00 0.43 0.13 -1.96 -1.92 132.00 137.85 3khz h PRO 98 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3khz h PRO 98 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3khz h PRO 98 CO 1.09 0.00 -0.05 1.19 -0.23 0.00 0.00 178.00 180.00 3khz n PHE 99 N -3.10 0.00 -3.62 1.56 3.72 -1.26 -1.30 117.46 113.46 3khz n PHE 99 Ca 0.01 -0.93 -0.29 0.00 -0.05 0.00 0.00 57.45 56.19 3khz n PHE 99 Cb 0.51 -0.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.78 3khz n PHE 99 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3khz s GLU 100 N -2.66 0.98 0.07 -1.08 2.02 -0.72 -4.30 118.70 113.00 3khz s GLU 100 Ca 0.30 -1.70 -0.37 0.00 0.02 0.00 0.00 54.97 53.22 3khz s GLU 100 Cb 0.26 -1.93 -0.16 0.00 0.10 0.00 0.00 34.13 32.40 3khz s GLU 100 CO 0.02 -1.17 1.41 -0.35 0.02 0.00 0.00 175.26 175.19 3khz n PRO 101 N 3.80 1.30 -3.73 0.39 -0.04 -1.26 -4.73 135.00 130.74 3khz n PRO 101 Ca 0.09 0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 63.65 3khz n PRO 101 Cb 0.36 -2.14 -0.12 0.00 -0.04 0.00 0.00 33.50 31.56 3khz n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3khz s VAL 102 N 0.81 4.20 -0.07 0.52 1.01 -0.98 -4.95 120.40 120.94 3khz s VAL 102 Ca 0.85 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 3khz s VAL 102 Cb -0.92 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3khz s VAL 102 CO 0.47 0.12 0.13 0.54 0.00 0.00 0.00 175.10 176.36 3khz s VAL 103 N 1.55 5.26 0.25 2.92 0.11 -1.26 -0.89 120.40 128.34 3khz s VAL 103 Ca 0.04 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3khz s VAL 103 Cb -0.17 -3.34 -0.00 0.00 -1.53 0.00 0.00 36.38 31.34 3khz s VAL 103 CO 0.04 0.51 0.03 0.35 -3.33 0.00 0.00 175.10 172.70 3khz n THR 104 N 1.64 0.00 0.02 5.04 -2.24 0.21 -4.98 114.28 113.97 3khz n THR 104 Ca -0.17 -1.25 -0.05 0.00 -2.27 0.00 0.00 64.05 60.32 3khz n THR 104 Cb 0.54 0.33 0.17 0.00 -2.10 0.00 0.00 70.33 69.27 3khz n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3khz h GLU 105 N 0.00 0.46 0.00 -0.78 3.07 -2.03 -3.12 114.58 112.18 3khz h GLU 105 Ca -0.20 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.36 3khz h GLU 105 Cb 0.66 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 3khz h GLU 105 CO 0.33 0.75 -2.08 -0.25 -1.40 0.00 0.00 179.01 176.35 3khz n ASP 106 N -4.06 0.11 -4.00 1.42 8.00 -1.26 -4.95 116.55 111.81 3khz n ASP 106 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 3khz n ASP 106 Cb 0.47 1.71 -0.07 0.00 -0.02 0.00 0.00 41.12 43.21 3khz n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khz s ALA 107 N -3.21 0.29 -0.03 2.24 0.00 -1.18 -0.96 121.76 118.90 3khz s ALA 107 Ca -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.74 3khz s ALA 107 Cb 0.12 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 3khz s ALA 107 CO 0.87 -0.77 -0.19 -1.50 0.00 0.00 0.00 175.76 174.17 3khz s ILE 108 N -3.98 1.57 -0.17 0.00 2.07 -0.23 0.67 121.20 121.13 3khz s ILE 108 Ca 0.28 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 3khz s ILE 108 Cb 0.02 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.28 3khz s ILE 108 CO 0.11 0.45 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.80 3khz s ILE 109 N -0.20 2.56 0.00 2.00 1.01 -0.07 -0.87 121.20 125.64 3khz s ILE 109 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3khz s ILE 109 Cb -0.10 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.28 3khz s ILE 109 CO 0.01 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.46 3khz n ALA 110 N 4.27 0.00 -1.68 9.38 0.00 -0.87 -2.31 120.51 129.31 3khz n ALA 110 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.78 3khz n ALA 110 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3khz n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3khz n ARG 111 N -0.29 2.30 0.00 0.00 3.00 -0.42 -1.48 116.66 119.77 3khz n ARG 111 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.69 3khz n ARG 111 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 32.46 29.79 3khz n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3khz n GLY 112 N 4.06 0.19 0.15 5.14 0.00 -1.26 -4.94 105.19 108.53 3khz n GLY 112 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3khz n GLY 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3khz h THR 113 N 0.00 0.89 0.11 2.61 1.35 -1.56 -0.93 112.91 115.37 3khz h THR 113 Ca 0.00 -0.08 -0.17 0.00 -0.55 0.00 0.00 66.41 65.60 3khz h THR 113 Cb 0.00 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.06 3khz h THR 113 CO 0.00 0.04 -0.82 -0.07 -0.25 0.00 0.00 175.52 174.43 3khz h LEU 114 N 0.24 0.35 -7.34 3.87 4.07 -1.82 -2.81 115.31 111.88 3khz h LEU 114 Ca 0.15 -0.92 -0.29 0.00 0.08 0.00 0.00 57.88 56.90 3khz h LEU 114 Cb 0.14 -0.11 -0.35 0.00 1.08 0.00 0.00 40.66 41.42 3khz h LEU 114 CO -0.17 1.38 -0.64 1.51 -1.08 0.00 0.00 178.44 179.43 3khz s ASP 115 N -6.85 0.48 -0.02 -0.43 -4.77 -1.23 -4.56 116.67 99.28 3khz s ASP 115 Ca -0.16 0.27 0.03 0.00 -3.30 0.00 0.00 52.55 49.39 3khz s ASP 115 Cb 0.01 0.18 0.05 0.00 -1.09 0.00 0.00 42.92 42.07 3khz s ASP 115 CO 0.78 -0.21 0.91 -0.67 0.70 0.00 0.00 175.17 176.69 3khz n ASP 116 N 4.90 1.49 -0.09 2.11 2.03 -1.23 -4.28 116.55 121.48 3khz n ASP 116 Ca -0.13 -1.96 -0.11 0.00 0.52 0.00 0.00 54.79 53.12 3khz n ASP 116 Cb 0.50 -0.08 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 3khz n ASP 116 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3khz h LYS 117 N 0.00 0.43 -0.18 -0.67 1.57 -1.34 -1.65 116.57 114.74 3khz h LYS 117 Ca 0.00 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3khz h LYS 117 Cb 0.75 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3khz h LYS 117 CO 0.00 0.53 -0.27 0.78 -0.57 0.00 0.00 179.45 179.92 3khz h GLY 118 N 0.25 -1.46 1.21 3.86 0.00 -1.40 -1.78 103.07 103.75 3khz h GLY 118 Ca 0.08 0.76 0.09 0.00 0.00 0.00 0.00 47.33 48.26 3khz h GLY 118 CO 0.00 -0.43 0.33 -2.55 0.00 0.00 0.00 176.54 173.89 3khz h PRO 119 N -0.21 0.27 -0.19 4.80 0.11 -1.73 -2.17 132.00 132.89 3khz h PRO 119 Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3khz h PRO 119 Cb 0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3khz h PRO 119 CO -0.28 0.18 0.07 1.15 -0.21 0.00 0.00 178.00 178.91 3khz h THR 120 N 0.28 1.17 -0.61 -1.15 2.02 -0.81 -0.50 112.91 113.30 3khz h THR 120 Ca 0.22 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 3khz h THR 120 Cb 0.50 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3khz h THR 120 CO -0.05 0.16 0.03 0.40 0.37 0.00 0.00 175.52 176.44 3khz h ILE 121 N 0.15 1.26 -0.17 3.11 1.08 -0.86 0.47 117.51 122.55 3khz h ILE 121 Ca 0.06 -1.10 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 3khz h ILE 121 Cb 0.19 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 3khz h ILE 121 CO -0.00 0.40 -0.15 0.00 -0.69 0.00 0.00 178.15 177.70 3khz h ALA 122 N 1.06 -0.04 -0.24 1.87 0.00 -1.29 0.69 119.26 121.31 3khz h ALA 122 Ca 0.18 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3khz h ALA 122 Cb 0.51 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3khz h ALA 122 CO 0.02 -0.59 0.11 0.00 0.00 0.00 0.00 179.25 178.79 3khz h ALA 123 N 0.92 0.28 -0.68 0.00 0.00 -0.74 0.22 119.26 119.26 3khz h ALA 123 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3khz h ALA 123 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3khz h ALA 123 CO -0.28 -0.29 0.24 -0.92 0.00 0.00 0.00 179.25 178.01 3khz h TYR 124 N 0.24 1.07 -0.11 0.00 5.03 -0.61 -2.22 116.97 120.37 3khz h TYR 124 Ca 0.10 -0.09 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 3khz h TYR 124 Cb 0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 3khz h TYR 124 CO -0.10 0.84 -0.21 1.88 -1.32 0.00 0.00 178.16 179.25 3khz h TYR 125 N 0.98 0.20 -0.84 -3.82 -1.99 0.10 -0.65 116.97 110.96 3khz h TYR 125 Ca 0.22 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.94 3khz h TYR 125 Cb 0.25 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 3khz h TYR 125 CO 0.02 0.40 0.55 0.00 -0.00 0.00 0.00 178.16 179.13 3khz h ALA 126 N 1.61 1.08 0.30 3.88 0.00 -0.36 -0.94 119.26 124.83 3khz h ALA 126 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3khz h ALA 126 Cb 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3khz h ALA 126 CO 0.03 0.44 -0.15 0.82 0.00 0.00 0.00 179.25 180.40 3khz h ILE 127 N 1.11 0.69 -0.90 0.00 2.04 -1.14 -2.82 117.51 116.49 3khz h ILE 127 Ca 0.32 -0.61 0.25 0.00 1.00 0.00 0.00 64.86 65.82 3khz h ILE 127 Cb -0.09 1.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 3khz h ILE 127 CO -0.08 0.12 0.27 0.50 0.00 0.00 0.00 178.15 178.95 3khz h LYS 128 N -0.76 0.20 -0.18 2.37 3.11 -0.93 -0.54 116.57 119.84 3khz h LYS 128 Ca -0.04 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 3khz h LYS 128 Cb 0.50 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 3khz h LYS 128 CO 0.07 0.14 -0.06 0.82 -2.81 0.00 0.00 179.45 177.61 3khz h ILE 129 N 0.21 1.29 -0.58 2.00 2.04 -1.10 0.69 117.51 122.07 3khz h ILE 129 Ca 0.58 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.44 3khz h ILE 129 Cb 1.19 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 3khz h ILE 129 CO -0.66 0.32 0.39 -0.07 0.00 0.00 0.00 178.15 178.12 3khz h LEU 130 N 0.06 0.47 -0.54 1.44 3.38 -1.11 0.94 115.31 119.95 3khz h LEU 130 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3khz h LEU 130 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3khz h LEU 130 CO 0.02 0.31 -0.65 -0.08 0.09 0.00 0.00 178.44 178.13 3khz h GLU 131 N 0.54 0.32 0.00 1.13 4.57 -0.55 -2.88 114.58 117.71 3khz h GLU 131 Ca 0.25 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3khz h GLU 131 Cb 0.30 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3khz h GLU 131 CO -0.07 0.86 -0.06 -0.44 -1.18 0.00 0.00 179.01 178.12 3khz h ASP 132 N 0.23 0.00 -0.22 1.04 3.32 0.16 -0.16 116.42 120.78 3khz h ASP 132 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3khz h ASP 132 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3khz h ASP 132 CO 0.11 0.06 0.00 0.23 -1.72 0.00 0.00 179.24 177.92 3khz n MET 133 N -3.59 1.86 -4.20 3.56 2.81 -0.88 -4.87 117.12 111.80 3khz n MET 133 Ca -0.02 -0.94 -0.36 0.00 -1.81 0.00 0.00 57.70 54.57 3khz n MET 133 Cb 0.17 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3khz n MET 133 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3khz n ASN 134 N 0.21 -2.15 -4.72 7.83 6.94 -0.07 -4.83 115.26 118.47 3khz n ASN 134 Ca 0.09 -0.97 -0.35 0.00 -0.02 0.00 0.00 54.58 53.33 3khz n ASN 134 Cb 0.35 -1.84 0.09 0.00 -2.36 0.00 0.00 39.78 36.02 3khz n ASN 134 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3khz s VAL 135 N -3.10 2.16 -0.97 3.53 0.11 -1.22 -4.97 120.40 115.94 3khz s VAL 135 Ca 0.71 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.68 3khz s VAL 135 Cb -0.41 -2.76 0.16 0.00 -1.53 0.00 0.00 36.38 31.84 3khz s VAL 135 CO 0.87 -0.04 1.12 -0.62 -3.33 0.00 0.00 175.10 173.10 3khz s ASP 136 N -1.82 6.76 0.19 3.54 -1.08 -1.26 -5.02 116.67 117.98 3khz s ASP 136 Ca 0.77 -2.38 -0.31 0.00 -0.52 0.00 0.00 52.55 50.11 3khz s ASP 136 Cb -0.32 -2.36 -0.10 0.00 -1.46 0.00 0.00 42.92 38.68 3khz s ASP 136 CO 0.44 -0.89 1.57 0.26 0.52 0.00 0.00 175.17 177.07 3khz s TRP 137 N 1.91 3.02 -0.55 -5.34 0.52 -1.26 -4.75 118.94 112.49 3khz s TRP 137 Ca 0.32 0.66 0.22 0.00 0.02 0.00 0.00 56.10 57.32 3khz s TRP 137 Cb -0.06 -3.95 -0.10 0.00 -1.15 0.00 0.00 33.47 28.22 3khz s TRP 137 CO -0.08 -3.43 0.88 1.63 0.02 0.00 0.00 176.95 175.97 3khz n LYS 138 N 3.62 0.32 -4.01 4.98 4.76 0.22 -4.37 118.16 123.68 3khz n LYS 138 Ca 0.13 -0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.44 3khz n LYS 138 Cb 0.38 -1.56 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 3khz n LYS 138 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3khz s LYS 139 N -3.24 0.48 0.71 1.97 1.02 -0.18 -4.41 119.74 116.10 3khz s LYS 139 Ca 0.02 -0.88 -0.12 0.00 0.02 0.00 0.00 55.97 55.01 3khz s LYS 139 Cb 0.14 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.65 3khz s LYS 139 CO 0.84 -0.09 1.09 1.03 -0.92 0.00 0.00 175.35 177.30 3khz s ARG 140 N -2.64 2.61 -0.09 1.68 0.52 -0.29 -2.62 118.95 118.12 3khz s ARG 140 Ca -0.05 1.21 0.01 0.00 -0.52 0.00 0.00 55.73 56.38 3khz s ARG 140 Cb -0.01 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.54 3khz s ARG 140 CO -0.05 -1.38 -0.09 0.42 0.02 0.00 0.00 175.30 174.22 3khz s ILE 141 N -2.71 1.00 -0.30 1.52 1.01 0.19 -1.45 121.20 120.47 3khz s ILE 141 Ca 0.63 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 3khz s ILE 141 Cb -0.18 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 3khz s ILE 141 CO 0.50 0.35 0.11 -1.00 0.00 0.00 0.00 174.94 174.90 3khz s HIS 142 N 1.31 3.15 -0.40 3.97 3.76 0.15 -2.02 115.29 125.21 3khz s HIS 142 Ca -0.03 -0.75 -0.22 0.00 -0.15 0.00 0.00 55.06 53.91 3khz s HIS 142 Cb -0.14 -2.30 0.01 0.00 1.11 0.00 0.00 32.58 31.27 3khz s HIS 142 CO -0.04 -0.50 0.74 1.41 -0.85 0.00 0.00 174.74 175.50 3khz s MET 143 N 1.56 3.57 -0.22 1.40 1.75 0.65 -1.51 119.30 126.50 3khz s MET 143 Ca 0.04 0.04 -0.06 0.00 -1.25 0.00 0.00 55.69 54.46 3khz s MET 143 Cb -0.17 -3.87 -0.02 0.00 2.84 0.00 0.00 34.83 33.61 3khz s MET 143 CO 0.04 -0.93 0.02 0.42 -0.65 0.00 0.00 175.02 173.92 3khz s ILE 144 N 3.05 3.99 -0.22 10.11 1.01 -0.01 -0.92 121.20 138.23 3khz s ILE 144 Ca 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 3khz s ILE 144 Cb -0.13 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.52 3khz s ILE 144 CO 0.19 0.40 -0.10 -0.63 0.00 0.00 0.00 174.94 174.80 3khz s ILE 145 N 1.26 2.84 0.30 2.92 1.01 -0.43 0.24 121.20 129.33 3khz s ILE 145 Ca 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3khz s ILE 145 Cb -0.15 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3khz s ILE 145 CO 0.02 0.40 0.40 -0.83 0.00 0.00 0.00 174.94 174.92 3khz s GLY 146 N 1.38 1.47 0.00 6.18 0.00 0.15 -2.00 107.32 114.50 3khz s GLY 146 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3khz s GLY 146 CO -0.07 -1.36 0.06 -1.30 0.00 0.00 0.00 173.10 170.43 3khz n THR 147 N -1.50 0.00 -3.38 0.90 -2.24 -1.09 -1.89 114.28 105.08 3khz n THR 147 Ca -0.04 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3khz n THR 147 Cb 0.58 1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 69.98 3khz n THR 147 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khz s ASP 148 N -0.19 6.15 0.51 3.42 -1.08 -1.26 -4.58 116.67 119.64 3khz s ASP 148 Ca 0.00 -0.90 0.22 0.00 -0.52 0.00 0.00 52.55 51.36 3khz s ASP 148 Cb 0.00 -2.20 1.35 0.00 -1.46 0.00 0.00 42.92 40.61 3khz s ASP 148 CO 0.00 -0.56 2.08 1.05 0.52 0.00 0.00 175.17 178.26 3khz h GLU 149 N 8.71 0.00 0.00 4.34 4.11 -1.95 -1.50 114.58 128.29 3khz h GLU 149 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3khz h GLU 149 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3khz h GLU 149 CO 0.79 0.11 0.00 0.39 0.07 0.00 0.00 179.01 180.38 3khz n GLU 150 N -4.00 0.42 -3.40 1.06 -0.58 -1.26 -4.81 120.64 108.08 3khz n GLU 150 Ca -0.02 0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.39 3khz n GLU 150 Cb 0.20 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 3khz n GLU 150 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3khz s SER 151 N -2.24 6.87 -0.22 1.62 0.15 -0.57 -4.97 113.70 114.34 3khz s SER 151 Ca 0.22 1.04 0.13 0.00 0.70 0.00 0.00 55.95 58.04 3khz s SER 151 Cb 0.12 -2.29 0.47 0.00 -1.71 0.00 0.00 66.02 62.61 3khz s SER 151 CO 0.23 0.26 1.38 0.47 1.20 0.00 0.00 173.24 176.77 3khz n ASP 152 N 2.10 2.86 -2.04 5.45 8.00 -1.26 -4.96 116.55 126.70 3khz n ASP 152 Ca -0.12 -3.42 -0.20 0.00 0.71 0.00 0.00 54.79 51.76 3khz n ASP 152 Cb 0.52 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 3khz n ASP 152 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3khz n TRP 153 N -0.97 -0.59 -2.16 1.24 7.02 -1.26 -4.18 117.44 116.54 3khz n TRP 153 Ca 0.25 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.40 3khz n TRP 153 Cb 0.89 -3.67 0.01 0.00 -2.42 0.00 0.00 31.31 26.12 3khz n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3khz s LYS 154 N -4.45 3.34 0.35 -0.99 1.02 -1.26 -0.66 119.74 117.09 3khz s LYS 154 Ca 0.00 1.38 0.20 0.00 0.02 0.00 0.00 55.97 57.57 3khz s LYS 154 Cb 0.00 -2.02 1.08 0.00 -0.52 0.00 0.00 37.83 36.37 3khz s LYS 154 CO 0.00 -0.82 1.57 0.00 -0.92 0.00 0.00 175.35 175.19 3khz h THR 156 N 0.00 1.01 -4.15 0.00 2.02 -1.93 -3.34 112.91 106.52 3khz h THR 156 Ca 0.00 -0.09 -0.54 0.00 0.77 0.00 0.00 66.41 66.55 3khz h THR 156 Cb 0.25 1.05 0.15 0.00 -1.74 0.00 0.00 68.15 67.85 3khz h THR 156 CO 0.00 0.03 0.44 -1.81 0.37 0.00 0.00 175.52 174.54 3khz s ASP 157 N -7.04 4.49 0.29 4.18 1.01 -0.16 -4.74 116.67 114.70 3khz s ASP 157 Ca -0.05 2.43 0.03 0.00 0.71 0.00 0.00 52.55 55.67 3khz s ASP 157 Cb 0.17 -2.60 0.75 0.00 1.01 0.00 0.00 42.92 42.25 3khz s ASP 157 CO 0.67 -2.07 1.65 -0.09 0.21 0.00 0.00 175.17 175.54 3khz h ARG 158 N 0.13 0.21 -0.20 8.23 9.65 -1.90 -1.97 114.38 128.54 3khz h ARG 158 Ca -0.49 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3khz h ARG 158 Cb 1.31 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3khz h ARG 158 CO 0.52 0.14 0.11 -0.92 2.80 0.00 0.00 179.97 182.61 3khz h TYR 159 N 0.22 0.28 0.00 2.20 3.20 -1.91 -2.71 116.97 118.25 3khz h TYR 159 Ca 0.57 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.43 3khz h TYR 159 Cb 1.17 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3khz h TYR 159 CO -0.24 0.26 0.00 1.19 -1.64 0.00 0.00 178.16 177.73 3khz n PHE 160 N -4.88 0.37 0.29 -3.82 3.72 -0.78 -1.24 117.46 111.12 3khz n PHE 160 Ca -0.03 0.11 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 3khz n PHE 160 Cb 0.08 -0.68 0.89 0.00 -0.94 0.00 0.00 39.48 38.82 3khz n PHE 160 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3khz h LYS 161 N 0.00 0.00 0.00 -1.08 1.57 -1.10 -3.33 116.57 112.64 3khz h LYS 161 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3khz h LYS 161 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3khz h LYS 161 CO 0.00 0.04 -0.42 0.25 -0.57 0.00 0.00 179.45 178.75 3khz n THR 162 N -3.66 0.00 -3.21 -0.16 -2.24 -1.16 -5.10 114.28 98.75 3khz n THR 162 Ca -0.02 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3khz n THR 162 Cb 0.14 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3khz n THR 162 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3khz s GLU 163 N -0.92 3.17 0.25 -0.78 0.41 -0.37 -5.03 118.70 115.44 3khz s GLU 163 Ca 0.00 -0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 3khz s GLU 163 Cb 0.00 -2.65 -0.10 0.00 -1.78 0.00 0.00 34.13 29.60 3khz s GLU 163 CO 0.00 -0.09 1.39 -2.00 -0.49 0.00 0.00 175.26 174.07 3khz s GLU 164 N -4.40 4.31 -0.09 1.61 2.12 -1.26 -4.75 118.70 116.24 3khz s GLU 164 Ca 0.45 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.72 3khz s GLU 164 Cb -0.10 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3khz s GLU 164 CO 0.36 -0.35 1.00 1.41 -0.54 0.00 0.00 175.26 177.14 3khz s MET 165 N -0.50 4.44 0.29 4.30 -2.45 -1.26 -4.99 119.30 119.12 3khz s MET 165 Ca 0.57 1.40 -0.30 0.00 -1.25 0.00 0.00 55.69 56.11 3khz s MET 165 Cb -0.40 -3.53 -0.12 0.00 1.25 0.00 0.00 34.83 32.03 3khz s MET 165 CO 0.43 -0.28 1.60 -2.30 1.05 0.00 0.00 175.02 175.53 3khz n PRO 166 N 4.85 2.71 0.28 4.11 -0.02 -1.26 -4.80 135.00 140.88 3khz n PRO 166 Ca 0.08 0.96 0.17 0.00 -2.02 0.00 0.00 63.50 62.70 3khz n PRO 166 Cb 0.49 -2.75 0.76 0.00 -0.02 0.00 0.00 33.50 31.97 3khz n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3khz h THR 167 N 3.37 0.11 -2.34 3.45 1.03 -1.65 0.18 112.91 117.06 3khz h THR 167 Ca -0.47 -0.50 0.18 0.00 -0.01 0.00 0.00 66.41 65.61 3khz h THR 167 Cb 1.22 1.44 -0.08 0.00 -1.07 0.00 0.00 68.15 69.66 3khz h THR 167 CO 0.80 0.04 0.48 -1.48 -0.01 0.00 0.00 175.52 175.35 3khz s LEU 168 N -6.34 -0.18 0.00 0.00 2.34 -1.18 -4.35 118.68 108.97 3khz s LEU 168 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 53.80 3khz s LEU 168 Cb 0.10 2.15 0.00 0.00 -0.56 0.00 0.00 46.19 47.88 3khz s LEU 168 CO 0.54 -0.89 0.00 0.61 -1.06 0.00 0.00 176.35 175.54 3khz n GLY 169 N -0.46 -0.59 2.87 -3.48 0.00 -1.26 0.04 105.19 102.31 3khz n GLY 169 Ca -0.06 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 3khz n GLY 169 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3khz s PHE 170 N -2.96 -0.05 -0.43 1.61 5.36 -0.50 -4.51 117.98 116.50 3khz s PHE 170 Ca 0.00 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.23 3khz s PHE 170 Cb 0.00 -0.10 0.17 0.00 -0.34 0.00 0.00 43.02 42.75 3khz s PHE 170 CO 0.00 -0.08 0.46 0.00 -1.46 0.00 0.00 175.22 174.14 3khz s ALA 171 N 0.68 -0.15 0.18 11.12 0.00 -1.26 -2.38 121.76 129.95 3khz s ALA 171 Ca -0.05 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 3khz s ALA 171 Cb -0.08 -2.05 0.14 0.00 0.00 0.00 0.00 23.12 21.14 3khz s ALA 171 CO -0.02 -2.10 1.64 -1.00 0.00 0.00 0.00 175.76 174.27 3khz h PRO 172 N 5.90 -0.05 -0.02 0.00 0.13 -1.99 -2.52 132.00 133.46 3khz h PRO 172 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3khz h PRO 172 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3khz h PRO 172 CO 0.22 -0.03 -0.05 -0.25 -0.23 0.00 0.00 178.00 177.65 3khz n ASP 173 N -5.37 2.07 -4.70 1.44 10.43 -1.26 -4.93 116.55 114.23 3khz n ASP 173 Ca 0.04 -1.64 -0.35 0.00 2.57 0.00 0.00 54.79 55.40 3khz n ASP 173 Cb 0.28 0.04 -0.09 0.00 1.84 0.00 0.00 41.12 43.19 3khz n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3khz s ALA 174 N -2.07 3.38 -0.04 2.24 0.00 -0.95 -5.02 121.76 119.30 3khz s ALA 174 Ca 0.32 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 3khz s ALA 174 Cb 0.20 -1.61 -0.32 0.00 0.00 0.00 0.00 23.12 21.39 3khz s ALA 174 CO 0.35 0.53 0.89 1.49 0.00 0.00 0.00 175.76 179.02 3khz h GLU 175 N 5.39 0.35 -1.62 0.00 4.81 -1.88 -3.39 114.58 118.24 3khz h GLU 175 Ca -0.49 -0.60 -0.55 0.00 -0.13 0.00 0.00 59.36 57.59 3khz h GLU 175 Cb 1.20 0.22 -0.42 0.00 0.63 0.00 0.00 28.75 30.38 3khz h GLU 175 CO 0.57 1.28 -0.80 1.19 -0.73 0.00 0.00 179.01 180.53 3khz n PHE 176 N -4.02 3.10 -1.04 0.92 3.72 -1.26 -4.84 117.46 114.04 3khz n PHE 176 Ca -0.15 -3.28 -0.32 0.00 -0.05 0.00 0.00 57.45 53.64 3khz n PHE 176 Cb 0.89 -0.22 0.13 0.00 -0.94 0.00 0.00 39.48 39.35 3khz n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3khz s PRO 177 N -3.42 1.56 -1.26 -1.08 0.04 -1.26 -4.29 135.00 125.29 3khz s PRO 177 Ca 0.45 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 3khz s PRO 177 Cb 0.38 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 33.31 3khz s PRO 177 CO -0.14 -2.25 1.77 0.00 0.04 0.00 0.00 177.00 176.42 3khz s ILE 179 N 0.60 1.39 0.04 0.00 1.01 -1.26 -4.13 121.20 118.85 3khz s ILE 179 Ca 0.40 -0.69 -0.36 0.00 0.00 0.00 0.00 60.65 60.00 3khz s ILE 179 Cb 0.07 -1.20 -0.16 0.00 0.01 0.00 0.00 42.46 41.18 3khz s ILE 179 CO 0.01 0.40 1.48 1.57 0.00 0.00 0.00 174.94 178.40 3khz n HIS 180 N 3.22 1.79 0.00 3.97 -0.00 0.62 -4.23 115.22 120.60 3khz n HIS 180 Ca -0.19 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 3khz n HIS 180 Cb 0.53 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 3khz n HIS 180 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3khz n GLY 181 N 3.05 3.67 3.92 1.57 0.00 -1.26 -4.59 105.19 111.54 3khz n GLY 181 Ca 0.19 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3khz n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3khz s GLU 182 N 2.48 3.56 0.82 1.61 -1.05 0.70 -4.94 118.70 121.88 3khz s GLU 182 Ca 0.00 -0.24 -0.13 0.00 -0.15 0.00 0.00 54.97 54.45 3khz s GLU 182 Cb 0.00 -2.81 0.08 0.00 -0.44 0.00 0.00 34.13 30.96 3khz s GLU 182 CO 0.00 0.39 1.13 1.63 0.95 0.00 0.00 175.26 179.35 3khz n LYS 183 N -0.54 0.10 -2.69 -4.83 5.02 -1.26 -2.25 118.16 111.71 3khz n LYS 183 Ca -0.04 0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 3khz n LYS 183 Cb 0.53 -2.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.12 3khz n LYS 183 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3khz s GLY 184 N -2.13 2.21 -0.01 0.72 0.00 0.23 -4.34 107.32 103.99 3khz s GLY 184 Ca 0.72 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 45.57 3khz s GLY 184 CO 0.53 0.47 0.15 -1.50 0.00 0.00 0.00 173.10 172.75 3khz s ILE 185 N -2.36 0.07 0.28 0.90 2.07 0.06 -0.59 121.20 121.62 3khz s ILE 185 Ca 0.59 -0.54 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3khz s ILE 185 Cb -0.10 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 3khz s ILE 185 CO 0.23 -0.30 0.31 0.42 -1.91 0.00 0.00 174.94 173.69 3khz s THR 186 N -1.08 0.00 0.04 4.00 -4.23 -0.63 0.37 115.64 114.11 3khz s THR 186 Ca -0.12 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3khz s THR 186 Cb -0.06 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 3khz s THR 186 CO 0.01 0.00 -0.06 0.42 -0.54 0.00 0.00 174.62 174.45 3khz s THR 187 N -3.67 0.43 0.24 3.99 -4.23 -1.18 -1.61 115.64 109.60 3khz s THR 187 Ca 0.34 -1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 3khz s THR 187 Cb 0.03 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.27 3khz s THR 187 CO 0.17 -0.47 0.63 0.72 -0.54 0.00 0.00 174.62 175.13 3khz s PHE 188 N -1.64 -0.13 0.08 3.99 -0.12 -0.90 -0.89 117.98 118.37 3khz s PHE 188 Ca -0.10 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.61 3khz s PHE 188 Cb -0.08 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3khz s PHE 188 CO -0.01 -1.08 -0.19 -0.51 -0.05 0.00 0.00 175.22 173.38 3khz s ASP 189 N -2.90 3.77 -0.25 1.98 1.01 -0.36 -0.90 116.67 119.02 3khz s ASP 189 Ca 0.11 -0.51 -0.01 0.00 0.71 0.00 0.00 52.55 52.85 3khz s ASP 189 Cb -0.03 -0.54 0.03 0.00 1.01 0.00 0.00 42.92 43.38 3khz s ASP 189 CO 0.03 0.22 -0.08 -0.76 0.21 0.00 0.00 175.17 174.79 3khz s LEU 190 N -1.76 3.15 -0.09 1.23 1.43 0.33 -1.24 118.68 121.74 3khz s LEU 190 Ca 0.16 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 3khz s LEU 190 Cb -0.10 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3khz s LEU 190 CO 0.07 -0.13 -0.23 -0.69 0.23 0.00 0.00 176.35 175.60 3khz s VAL 191 N 1.29 2.19 -0.05 -1.59 1.01 0.07 -0.94 120.40 122.39 3khz s VAL 191 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 3khz s VAL 191 Cb -0.17 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3khz s VAL 191 CO -0.05 0.56 0.46 -1.58 0.00 0.00 0.00 175.10 174.49 3khz s GLN 192 N 0.18 4.16 0.09 2.72 0.74 -0.80 -0.16 119.66 126.60 3khz s GLN 192 Ca -0.13 0.47 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 3khz s GLN 192 Cb -0.16 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.56 3khz s GLN 192 CO 0.07 0.43 1.20 -0.80 -0.55 0.00 0.00 175.29 175.64 3khz s ASN 193 N -0.27 7.08 0.12 6.67 0.01 0.15 -4.48 114.94 124.21 3khz s ASN 193 Ca 0.25 2.07 -0.33 0.00 -0.71 0.00 0.00 52.86 54.15 3khz s ASN 193 Cb -0.16 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.79 3khz s ASN 193 CO 0.13 -0.45 1.74 2.29 -1.51 0.00 0.00 177.10 179.30 3khz n LYS 194 N 3.60 2.48 -3.79 -0.60 0.00 -1.26 -4.98 118.16 113.61 3khz n LYS 194 Ca 0.08 0.90 -0.28 0.00 -0.00 0.00 0.00 58.31 59.01 3khz n LYS 194 Cb 0.46 -2.74 -0.03 0.00 -0.00 0.00 0.00 35.03 32.71 3khz n LYS 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3khz s LEU 195 N 2.10 4.28 -0.26 -5.58 0.20 -1.26 -5.05 118.68 113.11 3khz s LEU 195 Ca 0.82 0.34 0.21 0.00 0.69 0.00 0.00 54.13 56.18 3khz s LEU 195 Cb -0.58 -3.08 0.50 0.00 -0.43 0.00 0.00 46.19 42.59 3khz s LEU 195 CO 0.39 0.03 1.12 0.41 -0.29 0.00 0.00 176.35 178.01 3khz n THR 196 N -0.39 1.44 -2.71 3.68 -1.04 -1.26 -4.99 114.28 109.01 3khz n THR 196 Ca -0.05 -3.08 -0.36 0.00 -2.04 0.00 0.00 64.05 58.52 3khz n THR 196 Cb 0.53 0.93 -0.06 0.00 -1.82 0.00 0.00 70.33 69.92 3khz n THR 196 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3khz s GLU 197 N -3.70 4.34 0.63 -2.82 2.02 -1.26 -5.04 118.70 112.87 3khz s GLU 197 Ca 0.31 1.34 -0.18 0.00 0.02 0.00 0.00 54.97 56.45 3khz s GLU 197 Cb 0.33 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 3khz s GLU 197 CO -0.03 0.05 1.26 -0.51 0.02 0.00 0.00 175.26 176.05 3khz s ASP 198 N -1.75 4.80 0.27 -0.19 1.11 -1.26 -5.04 116.67 114.62 3khz s ASP 198 Ca 0.56 2.52 -0.17 0.00 0.18 0.00 0.00 52.55 55.64 3khz s ASP 198 Cb -0.17 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.22 3khz s ASP 198 CO 0.22 -1.86 0.62 0.00 1.18 0.00 0.00 175.17 175.32 3khz s GLN 199 N -3.39 1.71 0.58 8.23 -2.07 -1.26 -5.15 119.66 118.30 3khz s GLN 199 Ca 0.80 -1.14 -0.14 0.00 -1.82 0.00 0.00 55.36 53.06 3khz s GLN 199 Cb -0.34 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 32.07 3khz s GLN 199 CO 0.37 -0.76 1.02 -0.51 -1.32 0.00 0.00 175.29 174.10 3khz s ASP 200 N -2.98 6.20 -0.07 12.60 1.01 -1.26 -4.96 116.67 127.21 3khz s ASP 200 Ca 0.16 1.60 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 3khz s ASP 200 Cb -0.04 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.32 3khz s ASP 200 CO 0.08 -0.88 2.01 -0.70 0.21 0.00 0.00 175.17 175.89 3khz s GLU 201 N -4.42 3.79 0.48 8.23 2.12 -1.26 -4.95 118.70 122.68 3khz s GLU 201 Ca 0.59 2.33 -0.20 0.00 0.36 0.00 0.00 54.97 58.05 3khz s GLU 201 Cb -0.12 -4.21 -0.09 0.00 0.26 0.00 0.00 34.13 29.97 3khz s GLU 201 CO 0.40 -1.35 1.02 -1.25 -0.54 0.00 0.00 175.26 173.54 3khz s PRO 202 N 5.07 3.89 0.42 4.30 0.04 -1.26 -4.94 135.00 142.52 3khz s PRO 202 Ca 0.90 1.29 0.20 0.00 0.04 0.00 0.00 61.00 63.44 3khz s PRO 202 Cb -0.38 -2.11 1.15 0.00 0.04 0.00 0.00 34.50 33.20 3khz s PRO 202 CO 0.38 -0.35 1.79 -0.44 0.04 0.00 0.00 177.00 178.42 3khz h ASP 203 N 1.59 0.39 -2.89 6.66 3.45 -1.92 -3.40 116.42 120.30 3khz h ASP 203 Ca -0.49 0.07 -0.22 0.00 0.43 0.00 0.00 57.03 56.82 3khz h ASP 203 Cb 1.21 0.00 -0.33 0.00 -0.56 0.00 0.00 39.33 39.66 3khz h ASP 203 CO 0.59 0.09 -0.53 -0.31 -1.57 0.00 0.00 179.24 177.51 3khz s TYR 204 N -5.42 -0.41 -0.19 4.55 1.51 -0.95 -2.01 117.35 114.42 3khz s TYR 204 Ca -0.08 0.95 -0.07 0.00 -1.01 0.00 0.00 57.07 56.85 3khz s TYR 204 Cb 0.25 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 42.01 3khz s TYR 204 CO 0.80 -0.34 0.05 -2.00 -1.11 0.00 0.00 175.55 172.94 3khz s GLU 205 N 2.36 3.88 -0.33 -0.62 2.12 0.19 -2.79 118.70 123.51 3khz s GLU 205 Ca 0.01 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.72 3khz s GLU 205 Cb -0.12 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3khz s GLU 205 CO -0.08 0.18 0.74 -1.17 -0.54 0.00 0.00 175.26 174.38 3khz s LEU 206 N 0.62 4.13 -0.23 2.70 2.96 -1.26 0.39 118.68 127.99 3khz s LEU 206 Ca 0.03 0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 54.22 3khz s LEU 206 Cb -0.13 -2.98 -0.17 0.00 0.50 0.00 0.00 46.19 43.41 3khz s LEU 206 CO 0.02 -0.63 0.02 -0.38 -1.32 0.00 0.00 176.35 174.06 3khz n ILE 207 N 5.61 1.55 -3.77 6.68 5.41 -0.45 -4.65 119.36 129.74 3khz n ILE 207 Ca 0.02 -0.23 -0.12 0.00 1.00 0.00 0.00 62.75 63.43 3khz n ILE 207 Cb 0.48 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.41 3khz n ILE 207 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3khz s THR 208 N -2.44 0.08 0.00 1.39 -4.23 -1.16 -2.71 115.64 106.57 3khz s THR 208 Ca -0.32 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3khz s THR 208 Cb 0.09 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 3khz s THR 208 CO 0.58 -0.38 -0.05 0.12 -0.54 0.00 0.00 174.62 174.35 3khz s PHE 209 N -2.44 0.42 -0.10 3.99 5.36 0.76 -1.53 117.98 124.44 3khz s PHE 209 Ca -0.06 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.73 3khz s PHE 209 Cb -0.01 -0.27 0.04 0.00 -0.34 0.00 0.00 43.02 42.44 3khz s PHE 209 CO -0.03 -0.02 0.25 0.15 -1.46 0.00 0.00 175.22 174.12 3khz s LYS 210 N -0.23 0.25 -0.23 10.12 3.01 -0.24 -2.30 119.74 130.12 3khz s LYS 210 Ca 0.01 0.44 -0.13 0.00 -1.01 0.00 0.00 55.97 55.28 3khz s LYS 210 Cb -0.02 0.01 0.07 0.00 -1.01 0.00 0.00 37.83 36.88 3khz s LYS 210 CO -0.00 -0.10 0.56 0.45 0.51 0.00 0.00 175.35 176.77 3khz s SER 211 N 0.69 -0.75 0.00 2.83 0.15 -0.49 -0.18 113.70 115.95 3khz s SER 211 Ca -0.05 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.83 3khz s SER 211 Cb -0.06 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 3khz s SER 211 CO -0.04 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3khz n GLY 212 N 4.35 -0.00 0.10 9.45 0.00 -1.23 -0.63 105.19 117.23 3khz n GLY 212 Ca -0.21 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3khz n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3khz n GLU 213 N 0.60 0.81 -3.95 1.61 -0.58 -1.23 -4.64 120.64 113.26 3khz n GLU 213 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.65 3khz n GLU 213 Cb 0.00 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.27 3khz n GLU 213 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3khz s ARG 214 N -2.47 0.37 0.35 3.49 0.52 -1.25 -4.94 118.95 115.02 3khz s ARG 214 Ca -0.11 -0.55 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 3khz s ARG 214 Cb 0.06 0.14 0.79 0.00 0.52 0.00 0.00 34.95 36.46 3khz s ARG 214 CO 0.78 -0.07 1.88 1.88 0.02 0.00 0.00 175.30 179.79 3khz h TYR 215 N 4.51 0.83 -0.59 -0.53 0.05 -1.89 -2.95 116.97 116.40 3khz h TYR 215 Ca -0.32 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3khz h TYR 215 Cb 1.20 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3khz h TYR 215 CO 0.64 0.33 0.00 0.27 -1.05 0.00 0.00 178.16 178.35 3khz n ASN 216 N -4.55 5.11 -4.24 3.88 6.94 -1.26 -4.01 115.26 117.13 3khz n ASN 216 Ca 0.16 -2.68 -0.30 0.00 -0.02 0.00 0.00 54.58 51.74 3khz n ASN 216 Cb 0.42 -0.62 -0.16 0.00 -2.36 0.00 0.00 39.78 37.06 3khz n ASN 216 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3khz s MET 217 N -2.28 2.25 -0.03 -3.83 1.75 -1.11 0.16 119.30 116.21 3khz s MET 217 Ca 0.52 -0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.84 3khz s MET 217 Cb 0.36 -1.96 -0.05 0.00 2.84 0.00 0.00 34.83 36.03 3khz s MET 217 CO 0.20 0.37 1.36 0.08 -0.65 0.00 0.00 175.02 176.38 3khz s VAL 218 N -0.18 3.85 0.15 10.11 1.01 -0.51 -4.39 120.40 130.44 3khz s VAL 218 Ca -0.02 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.85 3khz s VAL 218 Cb -0.12 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 3khz s VAL 218 CO 0.03 -0.02 1.81 -2.65 0.00 0.00 0.00 175.10 174.27 3khz n PRO 219 N 5.52 2.82 -0.30 2.72 -0.02 -1.26 -4.14 135.00 140.34 3khz n PRO 219 Ca 0.13 1.02 0.10 0.00 -2.02 0.00 0.00 63.50 62.73 3khz n PRO 219 Cb 0.44 -2.91 0.26 0.00 -0.02 0.00 0.00 33.50 31.27 3khz n PRO 219 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3khz n ASP 220 N 5.21 3.58 -3.79 2.55 5.68 -1.26 -1.50 116.55 127.02 3khz n ASP 220 Ca 0.17 -1.99 -0.13 0.00 -0.50 0.00 0.00 54.79 52.35 3khz n ASP 220 Cb 0.37 -0.39 -0.13 0.00 -1.14 0.00 0.00 41.12 39.83 3khz n ASP 220 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3khz s HIS 221 N -1.03 -0.21 -0.05 2.11 5.04 -1.26 -0.26 115.29 119.63 3khz s HIS 221 Ca 0.40 0.53 -0.09 0.00 -1.54 0.00 0.00 55.06 54.36 3khz s HIS 221 Cb 0.21 0.04 0.02 0.00 0.04 0.00 0.00 32.58 32.89 3khz s HIS 221 CO 0.27 -0.13 0.22 0.00 -2.34 0.00 0.00 174.74 172.77 3khz s ALA 222 N 0.42 -0.54 -0.05 1.58 0.00 -0.84 -3.49 121.76 118.85 3khz s ALA 222 Ca -0.03 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 3khz s ALA 222 Cb -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3khz s ALA 222 CO -0.02 -0.16 0.00 -2.00 0.00 0.00 0.00 175.76 173.58 3khz s GLU 223 N -0.54 0.43 -0.15 0.00 2.12 0.74 -2.42 118.70 118.88 3khz s GLU 223 Ca -0.06 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 3khz s GLU 223 Cb -0.04 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 3khz s GLU 223 CO 0.01 -0.22 -0.12 0.00 -0.54 0.00 0.00 175.26 174.40 3khz s ALA 224 N 1.52 2.64 -0.20 6.30 0.00 -0.45 -1.07 121.76 130.50 3khz s ALA 224 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3khz s ALA 224 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3khz s ALA 224 CO -0.03 0.12 0.05 1.03 0.00 0.00 0.00 175.76 176.93 3khz s ARG 225 N 0.56 3.81 -0.03 0.00 0.52 -0.58 -0.15 118.95 123.08 3khz s ARG 225 Ca -0.08 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 3khz s ARG 225 Cb -0.15 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.11 3khz s ARG 225 CO 0.03 0.09 -0.06 0.08 0.02 0.00 0.00 175.30 175.46 3khz s VAL 226 N 0.85 0.57 -0.33 3.52 1.01 0.37 -1.34 120.40 125.04 3khz s VAL 226 Ca 0.03 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 3khz s VAL 226 Cb -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3khz s VAL 226 CO 0.02 0.20 0.58 -0.22 0.00 0.00 0.00 175.10 175.69 3khz s LEU 227 N 0.41 4.24 -0.23 3.92 2.96 0.16 -1.16 118.68 128.98 3khz s LEU 227 Ca -0.05 0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 3khz s LEU 227 Cb -0.09 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 3khz s LEU 227 CO 0.00 -0.50 0.25 -0.69 -1.32 0.00 0.00 176.35 174.09 3khz s VAL 228 N 2.55 5.30 -0.01 1.68 1.01 -1.26 -0.64 120.40 129.03 3khz s VAL 228 Ca 0.22 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 3khz s VAL 228 Cb -0.15 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 3khz s VAL 228 CO 0.13 0.30 1.14 0.50 0.00 0.00 0.00 175.10 177.17 3khz h LYS 229 N 7.56 -0.34 0.00 2.72 3.64 -1.62 -3.47 116.57 125.06 3khz h LYS 229 Ca -0.37 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3khz h LYS 229 Cb 1.17 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3khz h LYS 229 CO 0.67 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.24 3khz n GLU 230 N -5.07 1.86 -2.24 1.90 4.71 -1.26 -5.06 120.64 115.47 3khz n GLU 230 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.69 3khz n GLU 230 Cb 0.26 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.69 3khz n GLU 230 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3khz s ASN 231 N -1.00 6.07 -0.24 1.62 3.04 -1.26 -4.96 114.94 118.21 3khz s ASN 231 Ca 0.00 2.30 0.14 0.00 0.04 0.00 0.00 52.86 55.34 3khz s ASN 231 Cb 0.00 -2.60 0.63 0.00 -1.54 0.00 0.00 41.25 37.74 3khz s ASN 231 CO 0.00 -0.98 1.58 1.15 -3.04 0.00 0.00 177.10 175.80 3khz n MET 232 N -0.62 3.31 -0.13 0.43 0.00 -1.26 -4.45 117.12 114.40 3khz n MET 232 Ca 0.08 -3.00 -0.13 0.00 0.00 0.00 0.00 57.70 54.65 3khz n MET 232 Cb 0.48 -2.00 -0.02 0.00 0.00 0.00 0.00 33.22 31.68 3khz n MET 232 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3khz h THR 233 N 2.27 1.27 0.14 3.17 1.35 -1.99 -1.97 112.91 117.16 3khz h THR 233 Ca 0.09 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 3khz h THR 233 Cb 1.78 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3khz h THR 233 CO 0.41 0.51 -0.07 0.44 -0.25 0.00 0.00 175.52 176.57 3khz h ASP 234 N 0.76 -0.16 -0.04 5.36 3.32 -2.00 -0.28 116.42 123.39 3khz h ASP 234 Ca 0.07 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3khz h ASP 234 Cb 0.93 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3khz h ASP 234 CO 0.09 0.02 -0.08 -0.37 -1.72 0.00 0.00 179.24 177.18 3khz h VAL 235 N -0.33 0.78 -0.39 -1.35 -1.51 -1.85 0.28 116.25 111.88 3khz h VAL 235 Ca -0.02 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.53 3khz h VAL 235 Cb 0.26 0.78 -0.09 0.00 -2.13 0.00 0.00 31.29 30.12 3khz h VAL 235 CO 0.03 0.00 -0.19 0.40 -1.23 0.00 0.00 177.57 176.58 3khz h ILE 236 N -0.12 0.43 0.84 7.19 2.04 -1.27 0.13 117.51 126.74 3khz h ILE 236 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3khz h ILE 236 Cb 0.18 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3khz h ILE 236 CO -0.11 0.00 -0.46 -0.61 0.00 0.00 0.00 178.15 176.97 3khz h GLN 237 N -0.12 -1.16 -0.81 2.37 5.75 -0.36 -2.46 115.11 118.32 3khz h GLN 237 Ca 0.19 0.08 0.11 0.00 -0.15 0.00 0.00 58.65 58.88 3khz h GLN 237 Cb 0.42 0.26 -0.13 0.00 1.07 0.00 0.00 27.48 29.11 3khz h GLN 237 CO -0.47 -0.77 -0.46 -0.44 -2.65 0.00 0.00 178.83 174.04 3khz h ASP 238 N -1.20 -1.65 -1.00 -0.69 3.32 -0.10 0.35 116.42 115.45 3khz h ASP 238 Ca -0.11 0.29 0.22 0.00 0.02 0.00 0.00 57.03 57.45 3khz h ASP 238 Cb 0.94 0.77 -0.11 0.00 0.22 0.00 0.00 39.33 41.16 3khz h ASP 238 CO 0.15 -0.30 0.61 0.15 -1.72 0.00 0.00 179.24 178.14 3khz h PHE 239 N -0.10 0.97 -0.29 4.55 3.57 -0.64 0.25 116.94 125.25 3khz h PHE 239 Ca 0.23 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3khz h PHE 239 Cb 0.54 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3khz h PHE 239 CO -0.84 0.15 -0.07 1.49 -2.23 0.00 0.00 178.31 176.81 3khz h GLU 240 N 0.63 0.55 -0.33 1.11 4.57 0.13 0.06 114.58 121.30 3khz h GLU 240 Ca 0.60 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 58.48 3khz h GLU 240 Cb 1.11 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3khz h GLU 240 CO -0.39 0.75 -0.15 -0.92 -1.18 0.00 0.00 179.01 177.11 3khz h TYR 241 N 0.31 0.65 -0.05 0.92 3.20 -0.07 -2.00 116.97 119.94 3khz h TYR 241 Ca 0.07 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.85 3khz h TYR 241 Cb 0.55 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3khz h TYR 241 CO 0.05 0.72 -0.13 0.35 -1.64 0.00 0.00 178.16 177.50 3khz h PHE 242 N 0.54 -0.34 -0.85 -3.82 3.57 -0.22 0.18 116.94 116.00 3khz h PHE 242 Ca 0.09 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.75 3khz h PHE 242 Cb 0.57 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 3khz h PHE 242 CO 0.02 -0.20 0.45 -0.07 -2.23 0.00 0.00 178.31 176.28 3khz h LEU 243 N -0.20 0.55 -0.09 0.59 3.38 -0.55 -2.25 115.31 116.75 3khz h LEU 243 Ca 0.06 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3khz h LEU 243 Cb 0.28 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3khz h LEU 243 CO -0.16 0.24 -0.53 -0.33 0.09 0.00 0.00 178.44 177.75 3khz h GLU 244 N 0.65 0.52 -0.06 1.13 5.08 -0.92 0.28 114.58 121.26 3khz h GLU 244 Ca 0.46 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3khz h GLU 244 Cb 0.62 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3khz h GLU 244 CO -0.35 1.07 -0.14 1.96 -1.00 0.00 0.00 179.01 180.55 3khz h GLN 245 N 0.10 0.09 -0.02 2.33 1.08 -0.39 -2.86 115.11 115.44 3khz h GLN 245 Ca -0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3khz h GLN 245 Cb 1.18 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3khz h GLN 245 CO 0.11 0.23 -0.17 0.09 -0.95 0.00 0.00 178.83 178.14 3khz n ASN 246 N -4.33 2.62 -0.26 1.46 4.13 -0.87 -4.97 115.26 113.05 3khz n ASN 246 Ca -0.02 -1.81 -0.03 0.00 1.68 0.00 0.00 54.58 54.40 3khz n ASN 246 Cb 0.23 0.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.63 3khz n ASN 246 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3khz n HIS 247 N 0.83 0.00 -3.96 3.10 8.25 -0.27 -5.02 115.22 118.16 3khz n HIS 247 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 3khz n HIS 247 Cb 0.55 -0.98 -0.04 0.00 1.12 0.00 0.00 29.99 30.64 3khz n HIS 247 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3khz s LEU 248 N -0.76 4.24 0.19 2.41 1.02 0.84 -5.01 118.68 121.61 3khz s LEU 248 Ca 0.00 0.18 -0.11 0.00 0.02 0.00 0.00 54.13 54.22 3khz s LEU 248 Cb 0.00 -2.84 -0.07 0.00 0.02 0.00 0.00 46.19 43.30 3khz s LEU 248 CO 0.00 0.13 0.53 0.00 0.02 0.00 0.00 176.35 177.03 3khz s GLN 249 N -2.74 3.85 0.00 1.70 0.00 -1.26 -4.52 119.66 116.69 3khz s GLN 249 Ca 0.34 0.33 0.00 0.00 -0.00 0.00 0.00 55.36 56.03 3khz s GLN 249 Cb -0.12 -2.77 0.00 0.00 0.00 0.00 0.00 33.01 30.12 3khz s GLN 249 CO 0.27 0.39 0.00 0.41 0.00 0.00 0.00 175.29 176.36 3khz n GLY 250 N 0.26 -1.24 3.70 2.60 0.00 -1.26 -0.70 105.19 108.56 3khz n GLY 250 Ca -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 3khz n GLY 250 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khz s ASP 251 N -3.65 -0.13 0.11 1.61 -4.77 0.35 -4.97 116.67 105.22 3khz s ASP 251 Ca 0.00 -0.29 0.06 0.00 -3.30 0.00 0.00 52.55 49.02 3khz s ASP 251 Cb 0.00 0.36 -0.04 0.00 -1.09 0.00 0.00 42.92 42.15 3khz s ASP 251 CO 0.00 -0.66 -0.16 -0.94 0.70 0.00 0.00 175.17 174.12 3khz s SER 252 N -2.94 2.08 0.10 2.11 1.04 -1.26 -1.17 113.70 113.66 3khz s SER 252 Ca 0.13 -0.75 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 3khz s SER 252 Cb 0.01 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.07 3khz s SER 252 CO -0.00 -0.08 0.32 -0.89 0.98 0.00 0.00 173.24 173.56 3khz s THR 253 N -1.77 0.10 -0.07 2.02 2.01 -0.43 -5.00 115.64 112.50 3khz s THR 253 Ca 0.07 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3khz s THR 253 Cb -0.07 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3khz s THR 253 CO 0.03 -0.44 -0.15 0.54 -0.69 0.00 0.00 174.62 173.92 3khz s VAL 254 N -3.61 2.95 -0.31 3.82 0.11 -1.26 0.37 120.40 122.47 3khz s VAL 254 Ca 0.02 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 3khz s VAL 254 Cb 0.02 -2.17 0.09 0.00 -1.53 0.00 0.00 36.38 32.80 3khz s VAL 254 CO -0.10 0.57 0.04 -1.81 -3.33 0.00 0.00 175.10 170.47 3khz s ASP 255 N -0.39 4.39 -1.11 3.54 -0.00 0.64 -4.77 116.67 118.97 3khz s ASP 255 Ca 0.04 -1.81 -0.08 0.00 -0.00 0.00 0.00 52.55 50.70 3khz s ASP 255 Cb -0.12 -1.33 -0.04 0.00 -0.00 0.00 0.00 42.92 41.42 3khz s ASP 255 CO 0.02 -0.36 0.88 -1.20 -0.00 0.00 0.00 175.17 174.52 3khz n SER 256 N 4.50 -5.29 0.00 0.27 7.64 -1.26 -2.16 113.62 117.32 3khz n SER 256 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 3khz n SER 256 Cb 0.42 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 3khz n SER 256 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khz n GLY 257 N -1.34 2.35 3.75 0.23 0.00 -1.26 -4.97 105.19 103.94 3khz n GLY 257 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3khz n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khz s ILE 258 N -1.64 5.28 -0.07 -0.61 -1.09 -0.92 -4.72 121.20 117.43 3khz s ILE 258 Ca 0.00 0.59 -0.25 0.00 -2.23 0.00 0.00 60.65 58.75 3khz s ILE 258 Cb 0.00 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3khz s ILE 258 CO 0.00 0.42 0.79 -0.22 -1.23 0.00 0.00 174.94 174.70 3khz s LEU 259 N 0.20 4.31 -0.28 2.97 2.96 -0.31 -0.26 118.68 128.27 3khz s LEU 259 Ca 0.18 1.30 -0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3khz s LEU 259 Cb -0.13 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.35 3khz s LEU 259 CO 0.05 -0.20 0.03 -0.69 -1.32 0.00 0.00 176.35 174.22 3khz s VAL 260 N 1.08 3.50 -0.01 1.68 1.01 0.16 -0.48 120.40 127.33 3khz s VAL 260 Ca 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3khz s VAL 260 Cb -0.18 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3khz s VAL 260 CO 0.20 0.08 0.04 -0.76 0.00 0.00 0.00 175.10 174.66 3khz s LEU 261 N 1.41 3.72 -0.04 3.92 1.43 0.79 -1.32 118.68 128.60 3khz s LEU 261 Ca 0.01 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3khz s LEU 261 Cb -0.17 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3khz s LEU 261 CO -0.00 0.28 0.08 -0.89 0.23 0.00 0.00 176.35 176.05 3khz s THR 262 N -1.13 -0.03 -0.05 5.49 2.01 -0.32 -1.34 115.64 120.27 3khz s THR 262 Ca 0.21 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.36 3khz s THR 262 Cb -0.12 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.26 3khz s THR 262 CO 0.12 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.27 3khz s VAL 263 N 0.70 1.16 0.16 3.82 1.01 -1.02 -0.49 120.40 125.75 3khz s VAL 263 Ca -0.06 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3khz s VAL 263 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3khz s VAL 263 CO -0.03 0.35 0.24 -1.61 0.00 0.00 0.00 175.10 174.06 3khz s GLU 264 N 0.28 3.28 0.00 2.72 0.41 0.13 -1.98 118.70 123.54 3khz s GLU 264 Ca -0.07 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 3khz s GLU 264 Cb -0.12 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 3khz s GLU 264 CO 0.02 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 3khz n GLY 265 N -0.54 5.09 2.95 -1.39 0.00 0.64 -4.35 105.19 107.60 3khz n GLY 265 Ca -0.07 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 3khz n GLY 265 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khz s LYS 266 N 4.68 0.27 0.20 1.61 2.20 -0.88 -4.87 119.74 122.95 3khz s LYS 266 Ca 0.00 0.58 -0.27 0.00 -0.36 0.00 0.00 55.97 55.92 3khz s LYS 266 Cb 0.00 -0.43 -0.08 0.00 -1.51 0.00 0.00 37.83 35.81 3khz s LYS 266 CO 0.00 -0.51 0.84 0.00 -0.36 0.00 0.00 175.35 175.32 3khz s ALA 267 N 2.48 3.41 0.29 3.13 0.00 -1.26 -1.83 121.76 127.99 3khz s ALA 267 Ca 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 3khz s ALA 267 Cb -0.14 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3khz s ALA 267 CO -0.13 0.26 0.55 0.14 0.00 0.00 0.00 175.76 176.58 3khz s VAL 268 N -1.17 0.00 0.06 0.00 -7.23 -1.26 -4.95 120.40 105.84 3khz s VAL 268 Ca 0.38 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 3khz s VAL 268 Cb -0.24 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 3khz s VAL 268 CO 0.28 0.00 1.73 -2.28 -0.31 0.00 0.00 175.10 174.52 3khz s HIS 269 N -3.52 2.14 -1.78 2.82 2.46 -1.26 -1.43 115.29 114.72 3khz s HIS 269 Ca 0.22 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.88 3khz s HIS 269 Cb -0.02 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 3khz s HIS 269 CO 0.12 -4.29 0.46 0.41 -2.47 0.00 0.00 174.74 168.96 3khz n GLY 270 N 4.14 -0.01 0.19 1.59 0.00 0.12 -0.52 105.19 110.70 3khz n GLY 270 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3khz n GLY 270 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3khz h MET 271 N 0.00 0.03 -1.99 1.61 1.85 -1.88 -3.37 114.93 111.19 3khz h MET 271 Ca 0.00 -0.01 -0.53 0.00 -0.61 0.00 0.00 59.70 58.54 3khz h MET 271 Cb 0.00 -0.00 -0.36 0.00 0.43 0.00 0.00 31.60 31.67 3khz h MET 271 CO 0.00 0.38 -0.99 -3.47 -0.40 0.00 0.00 176.91 172.43 3khz n ASP 272 N -4.12 -0.46 0.27 1.39 2.03 0.32 -4.90 116.55 111.08 3khz n ASP 272 Ca -0.02 -2.60 0.17 0.00 0.52 0.00 0.00 54.79 52.86 3khz n ASP 272 Cb 0.39 -0.35 0.73 0.00 -0.72 0.00 0.00 41.12 41.18 3khz n ASP 272 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3khz h PRO 273 N 4.73 0.00 0.00 -0.67 0.13 -1.72 -2.73 132.00 131.74 3khz h PRO 273 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3khz h PRO 273 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3khz h PRO 273 CO 0.39 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.03 3khz n SER 274 N -2.98 0.00 -0.08 1.44 3.41 -1.26 -1.38 113.62 112.77 3khz n SER 274 Ca 0.00 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 3khz n SER 274 Cb 0.26 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.05 3khz n SER 274 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3khz n ILE 275 N -1.42 0.00 -4.29 -1.33 5.41 -1.03 -4.96 119.36 111.74 3khz n ILE 275 Ca 0.02 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 3khz n ILE 275 Cb 0.06 0.35 -0.03 0.00 -0.71 0.00 0.00 39.64 39.31 3khz n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khz n GLY 276 N 1.45 3.87 2.90 7.39 0.00 -0.48 -4.97 105.19 115.36 3khz n GLY 276 Ca 0.08 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 3khz n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khz s VAL 277 N -1.90 1.08 -0.72 1.61 1.01 -0.76 -4.91 120.40 115.82 3khz s VAL 277 Ca 0.03 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 3khz s VAL 277 Cb 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.25 3khz s VAL 277 CO 0.02 0.25 1.12 0.21 0.00 0.00 0.00 175.10 176.69 3khz s ASN 278 N 1.66 6.20 0.35 3.32 3.84 -1.26 -2.07 114.94 126.99 3khz s ASN 278 Ca 0.03 -0.85 0.06 0.00 0.21 0.00 0.00 52.86 52.31 3khz s ASN 278 Cb -0.14 -2.48 0.72 0.00 -0.55 0.00 0.00 41.25 38.80 3khz s ASN 278 CO -0.08 -1.58 1.94 0.00 -2.79 0.00 0.00 177.10 174.58 3khz h ALA 279 N 9.73 1.69 -0.29 1.71 0.00 -1.56 -2.08 119.26 128.47 3khz h ALA 279 Ca -0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 3khz h ALA 279 Cb 1.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3khz h ALA 279 CO 1.23 0.17 -0.53 0.78 0.00 0.00 0.00 179.25 180.89 3khz h GLY 280 N 0.79 0.93 1.69 0.00 0.00 -1.81 -1.28 103.07 103.39 3khz h GLY 280 Ca 0.34 -1.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.49 3khz h GLY 280 CO -0.12 0.96 -0.37 1.41 0.00 0.00 0.00 176.54 178.42 3khz h LEU 281 N 0.66 0.36 -0.23 3.11 3.38 -1.78 -1.62 115.31 119.19 3khz h LEU 281 Ca 0.02 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 3khz h LEU 281 Cb 1.13 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.79 3khz h LEU 281 CO 0.12 0.71 -0.79 1.88 0.09 0.00 0.00 178.44 180.44 3khz h TYR 282 N 0.30 0.87 -0.47 1.13 0.05 -1.21 -1.58 116.97 116.05 3khz h TYR 282 Ca 0.03 -0.40 -0.07 0.00 0.05 0.00 0.00 58.73 58.35 3khz h TYR 282 Cb 0.79 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 3khz h TYR 282 CO 0.02 1.20 0.02 1.25 -1.05 0.00 0.00 178.16 179.61 3khz h LEU 283 N 0.43 0.73 -0.69 3.88 5.85 -0.97 -1.50 115.31 123.04 3khz h LEU 283 Ca -0.05 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 3khz h LEU 283 Cb 1.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3khz h LEU 283 CO 0.15 0.79 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.46 3khz h LEU 284 N 0.73 0.41 -0.21 2.25 3.38 -1.17 -2.14 115.31 118.56 3khz h LEU 284 Ca 0.15 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3khz h LEU 284 Cb 0.41 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3khz h LEU 284 CO 0.01 0.85 0.10 0.50 0.09 0.00 0.00 178.44 179.99 3khz h LYS 285 N 0.30 0.20 -0.70 1.13 1.63 -0.67 -1.96 116.57 116.50 3khz h LYS 285 Ca 0.01 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3khz h LYS 285 Cb 1.00 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 3khz h LYS 285 CO 0.09 0.13 0.40 0.35 -3.45 0.00 0.00 179.45 176.98 3khz h PHE 286 N 0.21 0.74 -0.24 1.91 3.04 -0.80 -1.92 116.94 119.89 3khz h PHE 286 Ca 0.09 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3khz h PHE 286 Cb 0.03 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 3khz h PHE 286 CO -0.10 0.37 0.09 -0.07 -2.02 0.00 0.00 178.31 176.59 3khz h LEU 287 N 0.75 0.29 -1.82 0.59 3.38 -0.83 -1.60 115.31 116.07 3khz h LEU 287 Ca 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3khz h LEU 287 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3khz h LEU 287 CO -0.17 0.27 0.25 0.00 0.09 0.00 0.00 178.44 178.88 3khz h ALA 288 N 1.78 1.23 -0.00 1.53 0.00 -0.61 0.33 119.26 123.52 3khz h ALA 288 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3khz h ALA 288 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3khz h ALA 288 CO -0.01 -0.23 -0.15 -1.13 0.00 0.00 0.00 179.25 177.73 3khz n SER 289 N -2.67 0.20 -4.85 0.00 3.41 -0.60 -4.88 113.62 104.23 3khz n SER 289 Ca -0.02 0.11 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 3khz n SER 289 Cb 0.29 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3khz n SER 289 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3khz s LEU 290 N -2.90 3.94 -0.64 1.04 1.43 0.10 -5.06 118.68 116.58 3khz s LEU 290 Ca 0.16 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 3khz s LEU 290 Cb 0.19 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.94 3khz s LEU 290 CO 0.57 -0.00 1.24 0.20 0.23 0.00 0.00 176.35 178.58 3khz s ASN 291 N -3.58 6.32 0.40 2.29 -0.87 -1.26 -5.02 114.94 113.21 3khz s ASN 291 Ca 0.33 -0.09 0.08 0.00 -1.57 0.00 0.00 52.86 51.60 3khz s ASN 291 Cb -0.09 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 38.57 3khz s ASN 291 CO 0.25 -1.63 0.44 -0.76 -2.57 0.00 0.00 177.10 172.83 3khz s LEU 292 N 5.33 3.58 0.92 0.60 1.43 -1.26 -2.25 118.68 127.03 3khz s LEU 292 Ca 0.41 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3khz s LEU 292 Cb -0.08 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 43.93 3khz s LEU 292 CO 0.21 -0.62 1.13 1.51 0.23 0.00 0.00 176.35 178.81 3khz s ASP 293 N -4.19 2.93 0.16 2.29 -4.77 -1.12 -4.67 116.67 107.30 3khz s ASP 293 Ca 0.49 2.06 -0.18 0.00 -3.30 0.00 0.00 52.55 51.62 3khz s ASP 293 Cb -0.07 -2.52 0.06 0.00 -1.09 0.00 0.00 42.92 39.30 3khz s ASP 293 CO 0.30 -3.07 1.67 0.78 0.70 0.00 0.00 175.17 175.55 3khz h ASN 294 N -1.85 -0.35 -0.24 2.11 -0.26 -1.96 -1.13 115.58 111.90 3khz h ASN 294 Ca -0.45 0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.34 3khz h ASN 294 Cb 1.27 0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.75 3khz h ASN 294 CO 0.44 -0.12 -0.08 0.78 -1.06 0.00 0.00 177.43 177.39 3khz h ASN 295 N -0.01 0.49 -0.74 5.81 -0.26 -1.94 0.18 115.58 119.11 3khz h ASN 295 Ca 0.17 -0.38 -0.04 0.00 -0.56 0.00 0.00 56.30 55.48 3khz h ASN 295 Cb 0.27 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 3khz h ASN 295 CO -0.36 0.76 0.29 0.00 -1.06 0.00 0.00 177.43 177.07 3khz h ALA 296 N 0.75 1.10 -0.27 -0.83 0.00 -1.89 0.57 119.26 118.68 3khz h ALA 296 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3khz h ALA 296 Cb 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3khz h ALA 296 CO 0.03 0.64 0.11 0.37 0.00 0.00 0.00 179.25 180.40 3khz h GLN 297 N 1.10 0.24 -0.41 0.00 4.15 -0.91 0.53 115.11 119.80 3khz h GLN 297 Ca 0.25 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.55 3khz h GLN 297 Cb 0.22 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3khz h GLN 297 CO -0.02 0.16 -0.18 0.00 -1.93 0.00 0.00 178.83 176.86 3khz h ALA 298 N 1.15 0.91 0.04 3.38 0.00 0.20 0.78 119.26 125.72 3khz h ALA 298 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3khz h ALA 298 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3khz h ALA 298 CO -0.10 0.62 -0.02 0.35 0.00 0.00 0.00 179.25 180.10 3khz h PHE 299 N 0.70 -0.05 -0.66 0.00 3.04 0.63 -1.67 116.94 118.92 3khz h PHE 299 Ca 0.10 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 3khz h PHE 299 Cb 0.69 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 3khz h PHE 299 CO 0.04 0.10 0.31 0.28 -2.02 0.00 0.00 178.31 177.01 3khz h VAL 300 N -0.19 1.23 0.00 1.41 2.07 0.18 -2.71 116.25 118.23 3khz h VAL 300 Ca -0.01 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3khz h VAL 300 Cb 0.17 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3khz h VAL 300 CO 0.01 0.27 -0.23 0.00 0.02 0.00 0.00 177.57 177.64 3khz h ALA 301 N 1.14 1.60 -0.30 1.67 0.00 -0.73 -2.60 119.26 120.03 3khz h ALA 301 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3khz h ALA 301 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3khz h ALA 301 CO -0.03 0.28 -0.02 0.35 0.00 0.00 0.00 179.25 179.83 3khz h PHE 302 N 0.00 0.60 -0.84 0.00 3.57 -1.05 -1.76 116.94 117.46 3khz h PHE 302 Ca -0.00 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.44 3khz h PHE 302 Cb 0.41 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3khz h PHE 302 CO 0.00 0.70 0.52 1.03 -2.23 0.00 0.00 178.31 178.33 3khz h SER 303 N 0.33 0.83 0.81 0.41 0.87 -1.26 -1.67 113.55 113.86 3khz h SER 303 Ca 0.08 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 3khz h SER 303 Cb 0.48 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3khz h SER 303 CO 0.02 0.54 -0.71 0.78 -0.53 0.00 0.00 176.83 176.93 3khz h ASN 304 N 0.97 0.00 0.69 6.23 2.35 -1.32 0.21 115.58 124.71 3khz h ASN 304 Ca 0.36 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.84 3khz h ASN 304 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3khz h ASN 304 CO -0.16 0.71 -1.22 -0.09 -1.65 0.00 0.00 177.43 175.02 3khz h ARG 305 N 0.00 0.22 0.00 0.81 2.43 -1.06 -3.41 114.38 113.37 3khz h ARG 305 Ca -0.01 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3khz h ARG 305 Cb 1.31 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3khz h ARG 305 CO 0.09 1.17 -0.70 0.66 -1.51 0.00 0.00 179.97 179.67 3khz n TYR 306 N -3.49 0.00 0.00 2.20 4.01 -0.65 -4.86 117.16 114.38 3khz n TYR 306 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3khz n TYR 306 Cb 1.01 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3khz n TYR 306 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3khz n LEU 307 N -1.38 0.49 -4.76 7.72 4.32 0.42 -4.06 117.00 119.75 3khz n LEU 307 Ca -0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3khz n LEU 307 Cb 0.08 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.86 3khz n LEU 307 CO 0.08 0.04 1.10 0.12 -1.22 0.00 0.00 177.39 177.51 3khz s PHE 308 N -1.98 2.93 -1.29 -1.77 5.36 0.44 -3.36 117.98 118.30 3khz s PHE 308 Ca 0.00 1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 57.04 3khz s PHE 308 Cb 0.00 -3.85 -0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3khz s PHE 308 CO 0.00 -2.65 0.65 -1.71 -1.46 0.00 0.00 175.22 170.05 3khz n ASN 309 N 1.68 -1.75 -3.02 6.13 4.05 -1.26 -4.95 115.26 116.13 3khz n ASN 309 Ca 0.04 -0.89 -0.18 0.00 0.45 0.00 0.00 54.58 54.01 3khz n ASN 309 Cb 0.40 -3.78 -0.02 0.00 1.23 0.00 0.00 39.78 37.61 3khz n ASN 309 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3khz n SER 310 N -3.00 -0.95 0.12 1.20 2.88 -1.21 -4.96 113.62 107.71 3khz n SER 310 Ca -0.27 -2.95 0.12 0.00 -1.33 0.00 0.00 58.87 54.44 3khz n SER 310 Cb 0.67 0.30 0.47 0.00 -0.75 0.00 0.00 64.21 64.90 3khz n SER 310 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3khz n ASP 311 N 1.41 0.70 -0.83 -3.46 8.00 -1.26 -3.28 116.55 117.82 3khz n ASP 311 Ca 0.17 0.64 0.03 0.00 0.71 0.00 0.00 54.79 56.33 3khz n ASP 311 Cb 0.58 -0.80 0.21 0.00 -0.02 0.00 0.00 41.12 41.09 3khz n ASP 311 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3khz n PHE 312 N -2.23 0.74 -0.92 1.24 3.72 -1.26 -1.19 117.46 117.56 3khz n PHE 312 Ca 0.03 -1.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.16 3khz n PHE 312 Cb 0.29 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3khz n PHE 312 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khz n GLY 313 N -1.00 0.73 0.23 1.37 0.00 -1.21 -3.35 105.19 101.96 3khz n GLY 313 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 3khz n GLY 313 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3khz h GLU 314 N 2.14 -0.45 0.00 1.61 9.09 -1.87 0.40 114.58 125.50 3khz h GLU 314 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.44 3khz h GLU 314 Cb 0.03 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3khz h GLU 314 CO 0.00 -0.30 0.00 0.87 0.05 0.00 0.00 179.01 179.63 3khz h LYS 315 N -0.47 0.00 -0.42 1.06 1.57 -1.89 0.36 116.57 116.78 3khz h LYS 315 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3khz h LYS 315 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3khz h LYS 315 CO 0.03 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.58 3khz n MET 316 N -2.49 2.16 -1.79 3.15 2.81 -0.69 -4.71 117.12 115.57 3khz n MET 316 Ca -0.00 -1.79 -0.14 0.00 -1.81 0.00 0.00 57.70 53.96 3khz n MET 316 Cb 0.14 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 3khz n MET 316 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khz n GLY 317 N 1.32 0.75 0.04 3.03 0.00 0.13 -4.82 105.19 105.64 3khz n GLY 317 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3khz n GLY 317 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3khz n MET 318 N -2.50 2.36 -1.65 1.61 2.81 0.13 -4.99 117.12 114.89 3khz n MET 318 Ca -0.16 -1.38 -0.46 0.00 -1.81 0.00 0.00 57.70 53.90 3khz n MET 318 Cb 0.54 -1.02 -0.03 0.00 -0.71 0.00 0.00 33.22 32.00 3khz n MET 318 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3khz n LYS 319 N -0.35 1.83 -3.65 0.03 4.81 -1.13 -4.75 118.16 114.95 3khz n LYS 319 Ca 0.01 0.65 -0.06 0.00 -0.87 0.00 0.00 58.31 58.04 3khz n LYS 319 Cb 0.22 -2.28 -0.07 0.00 0.02 0.00 0.00 35.03 32.92 3khz n LYS 319 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3khz s PHE 320 N 0.00 -1.08 -0.06 5.64 5.36 -1.26 -4.98 117.98 121.60 3khz s PHE 320 Ca 0.71 2.08 0.03 0.00 -0.96 0.00 0.00 56.93 58.79 3khz s PHE 320 Cb -0.70 0.63 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 3khz s PHE 320 CO 0.49 -0.54 -0.17 -1.58 -1.46 0.00 0.00 175.22 171.96 3khz s HIS 321 N 1.91 1.81 0.27 10.12 5.65 -1.26 -1.58 115.29 132.21 3khz s HIS 321 Ca -0.09 -0.63 0.08 0.00 0.25 0.00 0.00 55.06 54.67 3khz s HIS 321 Cb -0.07 -1.25 -0.04 0.00 -1.18 0.00 0.00 32.58 30.04 3khz s HIS 321 CO -0.19 -0.26 0.10 0.95 -0.65 0.00 0.00 174.74 174.69 3khz s THR 322 N 0.34 3.77 0.43 0.89 -4.23 -1.06 -5.03 115.64 110.75 3khz s THR 322 Ca -0.11 -1.68 0.12 0.00 -1.18 0.00 0.00 61.69 58.84 3khz s THR 322 Cb -0.15 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 70.81 3khz s THR 322 CO 0.04 -0.33 1.99 0.44 -0.54 0.00 0.00 174.62 176.22 3khz h ASP 323 N 1.67 0.15 0.00 3.99 3.45 -1.99 -3.39 116.42 120.30 3khz h ASP 323 Ca -0.46 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3khz h ASP 323 Cb 1.25 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3khz h ASP 323 CO 0.61 0.26 0.00 1.33 -1.57 0.00 0.00 179.24 179.87 3khz n VAL 324 N -4.35 0.00 -0.08 -1.35 0.24 -1.26 -4.89 118.33 106.64 3khz n VAL 324 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 3khz n VAL 324 Cb 0.21 1.01 0.10 0.00 -1.47 0.00 0.00 33.84 33.69 3khz n VAL 324 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3khz n MET 325 N 0.00 2.62 0.00 7.34 2.81 -1.26 -5.10 117.12 123.53 3khz n MET 325 Ca 0.00 -1.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.11 3khz n MET 325 Cb 0.32 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 3khz n MET 325 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khz n GLY 326 N 0.21 -2.70 3.41 3.03 0.00 -1.26 -4.67 105.19 103.22 3khz n GLY 326 Ca 0.08 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 3khz n GLY 326 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khz s ASP 327 N -2.37 2.44 0.30 1.61 1.11 -1.26 -2.55 116.67 115.96 3khz s ASP 327 Ca 0.00 -1.25 -0.29 0.00 0.18 0.00 0.00 52.55 51.19 3khz s ASP 327 Cb 0.00 -0.10 -0.10 0.00 1.07 0.00 0.00 42.92 43.79 3khz s ASP 327 CO 0.00 -0.46 1.25 -0.69 1.18 0.00 0.00 175.17 176.45 3khz s VAL 328 N -3.19 2.99 -0.03 -1.27 1.01 -0.62 -4.51 120.40 114.79 3khz s VAL 328 Ca 0.31 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.29 3khz s VAL 328 Cb 0.06 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3khz s VAL 328 CO 0.12 0.22 -0.09 -0.89 0.00 0.00 0.00 175.10 174.46 3khz s THR 329 N -1.01 0.82 -0.14 3.92 2.01 -0.39 -4.39 115.64 116.46 3khz s THR 329 Ca 0.48 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 3khz s THR 329 Cb -0.37 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.43 3khz s THR 329 CO 0.48 0.26 -0.09 0.42 -0.69 0.00 0.00 174.62 175.00 3khz s THR 330 N 0.30 1.25 -0.13 -0.82 -4.23 -0.33 -1.32 115.64 110.35 3khz s THR 330 Ca -0.05 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 3khz s THR 330 Cb -0.10 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 3khz s THR 330 CO 0.01 0.33 -0.11 0.21 -0.54 0.00 0.00 174.62 174.52 3khz s ASN 331 N 1.61 4.22 -0.84 3.99 2.47 0.33 -4.56 114.94 122.16 3khz s ASN 331 Ca 0.04 -0.27 -0.16 0.00 0.42 0.00 0.00 52.86 52.89 3khz s ASN 331 Cb -0.13 -1.62 0.19 0.00 -1.45 0.00 0.00 41.25 38.23 3khz s ASN 331 CO -0.09 0.18 0.85 -0.63 -3.72 0.00 0.00 177.10 173.69 3khz s ILE 332 N 0.29 5.34 -0.15 -5.21 -1.09 -1.26 0.10 121.20 119.22 3khz s ILE 332 Ca -0.08 -2.15 0.18 0.00 -2.23 0.00 0.00 60.65 56.37 3khz s ILE 332 Cb -0.15 -4.55 -0.09 0.00 -1.58 0.00 0.00 42.46 36.09 3khz s ILE 332 CO 0.05 -1.16 0.93 1.23 -1.23 0.00 0.00 174.94 174.76 3khz h GLY 333 N 8.59 0.00 -5.73 6.18 0.00 -1.09 -3.42 103.07 107.60 3khz h GLY 333 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.96 3khz h GLY 333 CO 0.87 0.00 -0.80 0.14 0.00 0.00 0.00 176.54 176.75 3khz s VAL 334 N -3.03 0.90 -0.13 4.60 1.01 -1.00 -3.57 120.40 119.17 3khz s VAL 334 Ca -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3khz s VAL 334 Cb 0.09 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.70 3khz s VAL 334 CO 0.80 0.29 0.14 -0.63 0.00 0.00 0.00 175.10 175.70 3khz s ILE 335 N 0.44 -0.20 0.05 2.22 1.01 0.20 0.71 121.20 125.64 3khz s ILE 335 Ca -0.08 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3khz s ILE 335 Cb -0.12 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 3khz s ILE 335 CO 0.02 -0.07 -0.13 0.42 0.00 0.00 0.00 174.94 175.18 3khz s THR 336 N 2.24 1.01 -0.18 2.92 -4.23 -0.64 -1.40 115.64 115.36 3khz s THR 336 Ca 0.04 -1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 3khz s THR 336 Cb -0.14 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.79 3khz s THR 336 CO -0.08 -0.14 0.47 -0.47 -0.54 0.00 0.00 174.62 173.86 3khz s TYR 337 N -1.08 -0.53 0.26 3.99 5.04 -0.97 -0.97 117.35 123.09 3khz s TYR 337 Ca -0.02 1.27 -0.05 0.00 -2.44 0.00 0.00 57.07 55.84 3khz s TYR 337 Cb -0.09 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 3khz s TYR 337 CO 0.02 -0.26 0.35 0.16 -1.34 0.00 0.00 175.55 174.47 3khz s ASP 338 N 0.35 0.34 0.06 4.32 3.84 -0.72 -0.17 116.67 124.69 3khz s ASP 338 Ca -0.01 -1.27 0.12 0.00 -0.00 0.00 0.00 52.55 51.39 3khz s ASP 338 Cb -0.04 0.53 0.52 0.00 -1.38 0.00 0.00 42.92 42.56 3khz s ASP 338 CO -0.01 -1.07 1.37 0.59 -0.00 0.00 0.00 175.17 176.06 3khz n ASN 339 N -0.66 0.13 -0.01 2.11 5.03 -1.10 -2.05 115.26 118.72 3khz n ASN 339 Ca 0.01 0.54 0.00 0.00 0.87 0.00 0.00 54.58 56.00 3khz n ASN 339 Cb 0.63 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 3khz n ASN 339 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3khz n GLU 340 N -1.66 0.26 -0.01 3.52 2.13 -1.26 -4.62 120.64 119.00 3khz n GLU 340 Ca 0.02 -0.60 0.07 0.00 0.66 0.00 0.00 57.16 57.31 3khz n GLU 340 Cb 0.12 -0.54 0.07 0.00 0.27 0.00 0.00 31.44 31.35 3khz n GLU 340 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3khz n ASN 341 N -0.04 2.23 0.00 4.31 5.03 -1.21 -4.96 115.26 120.61 3khz n ASN 341 Ca 0.00 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.84 3khz n ASN 341 Cb 0.48 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 3khz n ASN 341 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3khz n ALA 342 N 0.80 0.00 -2.56 5.41 0.00 -0.87 -4.76 120.51 118.53 3khz n ALA 342 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 3khz n ALA 342 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 3khz n ALA 342 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3khz s GLY 343 N -0.80 1.84 -0.25 0.00 0.00 -1.26 -1.76 107.32 105.09 3khz s GLY 343 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 44.72 42.86 3khz s GLY 343 CO 0.00 -1.72 0.57 -2.27 0.00 0.00 0.00 173.10 169.68 3khz s LEU 344 N -3.82 -0.85 -0.14 0.66 1.98 -0.14 -1.90 118.68 114.47 3khz s LEU 344 Ca 0.36 1.34 -0.03 0.00 -2.89 0.00 0.00 54.13 52.91 3khz s LEU 344 Cb -0.04 1.98 -0.03 0.00 0.66 0.00 0.00 46.19 48.76 3khz s LEU 344 CO 0.22 -0.22 -0.04 -0.36 -1.89 0.00 0.00 176.35 174.06 3khz s PHE 345 N 2.34 3.03 -0.22 5.38 0.08 -0.11 -1.62 117.98 126.86 3khz s PHE 345 Ca -0.06 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3khz s PHE 345 Cb -0.10 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3khz s PHE 345 CO -0.17 0.07 0.00 0.20 -0.10 0.00 0.00 175.22 175.22 3khz s GLY 346 N 0.08 1.68 -0.03 4.36 0.00 0.22 -0.51 107.32 113.12 3khz s GLY 346 Ca -0.00 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.67 3khz s GLY 346 CO 0.03 0.41 -0.21 -0.42 0.00 0.00 0.00 173.10 172.90 3khz s ILE 347 N 1.40 2.45 -0.18 0.90 1.01 -0.08 -0.78 121.20 125.92 3khz s ILE 347 Ca 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3khz s ILE 347 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3khz s ILE 347 CO 0.00 0.58 -0.14 0.21 0.00 0.00 0.00 174.94 175.60 3khz s ASN 348 N -0.63 3.69 -0.16 3.58 2.47 0.29 -2.11 114.94 122.07 3khz s ASN 348 Ca 0.10 -0.50 0.01 0.00 0.42 0.00 0.00 52.86 52.89 3khz s ASN 348 Cb -0.10 -1.59 0.02 0.00 -1.45 0.00 0.00 41.25 38.13 3khz s ASN 348 CO -0.00 0.04 -0.15 -0.22 -3.72 0.00 0.00 177.10 173.04 3khz s LEU 349 N 1.11 1.90 -0.05 3.21 0.20 -0.63 -0.51 118.68 123.91 3khz s LEU 349 Ca 0.00 -0.59 -0.01 0.00 0.69 0.00 0.00 54.13 54.22 3khz s LEU 349 Cb -0.14 -1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 3khz s LEU 349 CO -0.04 -0.06 0.03 0.00 -0.29 0.00 0.00 176.35 175.99 3khz s ALA 350 N 1.42 3.39 -0.02 5.97 0.00 -0.44 -1.61 121.76 130.48 3khz s ALA 350 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3khz s ALA 350 Cb -0.13 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.50 3khz s ALA 350 CO -0.11 0.62 0.26 1.52 0.00 0.00 0.00 175.76 178.06 3khz s TYR 351 N -1.00 -0.13 0.45 0.00 1.13 0.25 -1.27 117.35 116.77 3khz s TYR 351 Ca 0.17 0.20 -0.10 0.00 -1.41 0.00 0.00 57.07 55.93 3khz s TYR 351 Cb -0.12 0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.75 3khz s TYR 351 CO 0.07 -0.34 0.81 -1.25 -2.51 0.00 0.00 175.55 172.32 3khz s PRO 352 N -1.21 3.73 0.31 -3.49 0.04 -1.26 0.78 135.00 133.88 3khz s PRO 352 Ca -0.13 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 3khz s PRO 352 Cb -0.06 -2.34 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 3khz s PRO 352 CO 0.03 -0.13 1.51 -1.91 0.04 0.00 0.00 177.00 176.54 3khz n GLU 353 N -1.64 2.53 -3.95 4.56 4.07 -1.26 -1.73 120.64 123.22 3khz n GLU 353 Ca 0.03 0.90 -0.31 0.00 -0.06 0.00 0.00 57.16 57.71 3khz n GLU 353 Cb 0.54 -2.63 -0.14 0.00 -0.06 0.00 0.00 31.44 29.16 3khz n GLU 353 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3khz s GLY 354 N 0.25 2.19 0.29 8.31 0.00 -1.26 -4.99 107.32 112.11 3khz s GLY 354 Ca 0.62 -2.88 -0.21 0.00 0.00 0.00 0.00 44.72 42.24 3khz s GLY 354 CO 0.53 0.99 0.83 -0.12 0.00 0.00 0.00 173.10 175.33 3khz s PHE 355 N 0.38 3.60 -0.54 1.90 5.36 -0.71 -5.00 117.98 122.97 3khz s PHE 355 Ca 0.14 1.53 -0.13 0.00 -0.96 0.00 0.00 56.93 57.50 3khz s PHE 355 Cb -0.22 -2.74 0.13 0.00 -0.34 0.00 0.00 43.02 39.85 3khz s PHE 355 CO -0.04 0.22 0.47 -1.21 -1.46 0.00 0.00 175.22 173.19 3khz s GLU 356 N -2.25 2.86 -0.05 10.12 2.02 -1.26 -4.94 118.70 125.20 3khz s GLU 356 Ca 0.49 -1.80 -0.24 0.00 0.02 0.00 0.00 54.97 53.44 3khz s GLU 356 Cb -0.16 -4.18 -0.18 0.00 0.10 0.00 0.00 34.13 29.71 3khz s GLU 356 CO 0.21 -1.28 0.99 0.35 0.02 0.00 0.00 175.26 175.55 3khz h PHE 357 N 8.63 -0.12 0.00 1.61 3.57 -1.99 -2.43 116.94 126.21 3khz h PHE 357 Ca -0.24 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 3khz h PHE 357 Cb 1.08 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3khz h PHE 357 CO 0.72 0.40 -0.24 1.05 -2.23 0.00 0.00 178.31 178.00 3khz h GLU 358 N -0.76 0.00 -0.17 1.11 9.09 -1.98 0.59 114.58 122.45 3khz h GLU 358 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 3khz h GLU 358 Cb 0.57 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 3khz h GLU 358 CO 0.02 0.24 0.04 -0.22 0.05 0.00 0.00 179.01 179.15 3khz h LYS 359 N 0.00 0.28 -0.60 1.06 3.64 -1.98 -0.25 116.57 118.72 3khz h LYS 359 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3khz h LYS 359 Cb 0.50 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3khz h LYS 359 CO 0.03 0.42 0.12 0.00 -2.27 0.00 0.00 179.45 177.76 3khz h ALA 360 N 0.85 1.09 -0.06 5.00 0.00 -0.71 -2.61 119.26 122.82 3khz h ALA 360 Ca 0.05 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3khz h ALA 360 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3khz h ALA 360 CO 0.00 0.60 -0.65 1.98 0.00 0.00 0.00 179.25 181.18 3khz h MET 361 N 0.90 0.25 -0.72 0.00 1.85 -0.79 -1.33 114.93 115.09 3khz h MET 361 Ca 0.19 -0.19 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 3khz h MET 361 Cb 0.36 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 3khz h MET 361 CO 0.00 0.81 0.41 -0.44 -0.40 0.00 0.00 176.91 177.30 3khz h ASP 362 N 0.18 0.61 0.14 1.39 3.45 -0.67 0.21 116.42 121.73 3khz h ASP 362 Ca -0.01 0.03 -0.26 0.00 0.43 0.00 0.00 57.03 57.22 3khz h ASP 362 Cb 1.17 -0.09 0.02 0.00 -0.56 0.00 0.00 39.33 39.87 3khz h ASP 362 CO 0.10 0.38 -1.04 -0.09 -1.57 0.00 0.00 179.24 177.02 3khz h ARG 363 N 0.74 0.59 -0.08 3.56 2.43 -1.32 -2.67 114.38 117.63 3khz h ARG 363 Ca 0.33 -0.66 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3khz h ARG 363 Cb 0.22 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3khz h ARG 363 CO -0.20 1.26 0.02 0.35 -1.51 0.00 0.00 179.97 179.89 3khz h PHE 364 N 0.32 0.14 -0.64 2.20 3.57 -1.01 -1.89 116.94 119.63 3khz h PHE 364 Ca -0.12 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.42 3khz h PHE 364 Cb 1.69 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.35 3khz h PHE 364 CO 0.09 0.33 0.43 0.00 -2.23 0.00 0.00 178.31 176.92 3khz h ALA 365 N 0.80 1.78 0.17 2.41 0.00 -0.61 -1.94 119.26 121.87 3khz h ALA 365 Ca 0.03 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3khz h ALA 365 Cb 0.26 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3khz h ALA 365 CO 0.00 0.12 -1.13 -0.97 0.00 0.00 0.00 179.25 177.27 3khz h ASN 366 N 0.64 0.57 0.03 0.00 -1.24 -1.42 -3.19 115.58 110.96 3khz h ASN 366 Ca 0.28 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.36 3khz h ASN 366 Cb 0.27 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3khz h ASN 366 CO -0.09 1.53 0.00 1.21 -1.29 0.00 0.00 177.43 178.80 3khz n GLU 367 N -3.96 0.02 0.00 6.67 4.07 -0.72 -2.22 120.64 124.50 3khz n GLU 367 Ca -0.17 0.28 0.04 0.00 -0.06 0.00 0.00 57.16 57.25 3khz n GLU 367 Cb 0.92 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.77 3khz n GLU 367 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 3khz n ILE 368 N -1.29 0.00 -0.33 6.31 3.06 -0.99 -4.25 119.36 121.88 3khz n ILE 368 Ca 0.01 -0.33 -0.00 0.00 -2.50 0.00 0.00 62.75 59.92 3khz n ILE 368 Cb 0.01 1.02 0.13 0.00 0.54 0.00 0.00 39.64 41.34 3khz n ILE 368 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 3khz h GLN 369 N 0.18 1.05 -0.86 9.51 4.20 -1.52 -2.32 115.11 125.36 3khz h GLN 369 Ca 0.00 -0.06 0.25 0.00 0.06 0.00 0.00 58.65 58.89 3khz h GLN 369 Cb 0.21 -0.24 -0.16 0.00 0.30 0.00 0.00 27.48 27.59 3khz h GLN 369 CO 0.00 0.70 0.05 1.04 -0.67 0.00 0.00 178.83 179.95 3khz n GLN 370 N -4.55 -0.07 -0.75 1.46 6.02 -1.26 -1.05 117.38 117.18 3khz n GLN 370 Ca 0.12 1.28 0.08 0.00 -0.01 0.00 0.00 57.00 58.47 3khz n GLN 370 Cb 0.12 -2.05 0.38 0.00 1.02 0.00 0.00 30.24 29.70 3khz n GLN 370 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3khz n TYR 371 N -5.22 1.76 -2.22 1.08 4.02 -0.89 -4.93 117.16 110.75 3khz n TYR 371 Ca 0.21 -0.69 -0.14 0.00 -0.01 0.00 0.00 57.90 57.27 3khz n TYR 371 Cb 0.70 -0.38 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 3khz n TYR 371 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3khz n GLY 372 N 0.78 -0.12 3.71 2.72 0.00 -0.22 -4.89 105.19 107.17 3khz n GLY 372 Ca 0.27 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3khz n GLY 372 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khz s PHE 373 N -2.71 3.08 0.12 1.61 0.08 -1.10 -0.68 117.98 118.39 3khz s PHE 373 Ca 0.00 0.05 0.10 0.00 0.12 0.00 0.00 56.93 57.20 3khz s PHE 373 Cb 0.00 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3khz s PHE 373 CO 0.00 0.48 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.36 3khz s GLU 374 N -1.94 1.28 -0.22 0.44 2.56 0.77 -4.03 118.70 117.56 3khz s GLU 374 Ca 0.23 -1.27 -0.10 0.00 0.00 0.00 0.00 54.97 53.84 3khz s GLU 374 Cb -0.12 -1.67 -0.05 0.00 2.00 0.00 0.00 34.13 34.29 3khz s GLU 374 CO 0.15 0.39 0.13 0.08 -0.56 0.00 0.00 175.26 175.45 3khz s VAL 375 N -1.11 5.22 -0.52 3.70 1.01 -1.26 -0.75 120.40 126.70 3khz s VAL 375 Ca 0.11 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3khz s VAL 375 Cb -0.10 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 33.01 3khz s VAL 375 CO 0.05 0.40 0.36 -1.59 0.00 0.00 0.00 175.10 174.32 3khz s LYS 376 N 0.71 2.44 0.32 2.72 0.00 -0.37 -4.98 119.74 120.58 3khz s LYS 376 Ca 0.07 -2.02 -0.29 0.00 0.00 0.00 0.00 55.97 53.73 3khz s LYS 376 Cb -0.12 -3.82 -0.10 0.00 0.00 0.00 0.00 37.83 33.78 3khz s LYS 376 CO 0.01 -1.16 1.30 -0.51 0.00 0.00 0.00 175.35 174.99 3khz s LEU 377 N 0.87 4.43 0.00 2.77 1.02 -1.26 -1.22 118.68 125.28 3khz s LEU 377 Ca 0.10 2.65 0.00 0.00 0.02 0.00 0.00 54.13 56.90 3khz s LEU 377 Cb -0.23 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.34 3khz s LEU 377 CO -0.03 -0.52 0.00 0.61 0.02 0.00 0.00 176.35 176.43 3khz n GLY 378 N 0.98 2.37 3.71 -3.19 0.00 -0.07 -4.92 105.19 104.07 3khz n GLY 378 Ca 0.01 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 3khz n GLY 378 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3khz n LYS 379 N -0.60 1.43 -4.57 1.61 5.02 -1.26 -4.72 118.16 115.06 3khz n LYS 379 Ca 0.00 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 3khz n LYS 379 Cb 0.00 -2.46 -0.16 0.00 -0.02 0.00 0.00 35.03 32.40 3khz n LYS 379 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3khz s VAL 380 N -1.34 2.50 -0.49 -0.18 1.01 -1.26 -3.11 120.40 117.52 3khz s VAL 380 Ca 0.74 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3khz s VAL 380 Cb -0.42 -2.04 0.13 0.00 0.00 0.00 0.00 36.38 34.05 3khz s VAL 380 CO 0.48 0.52 0.26 -1.58 0.00 0.00 0.00 175.10 174.78 3khz s GLN 381 N 0.81 2.06 0.68 2.72 0.74 0.16 -5.00 119.66 121.83 3khz s GLN 381 Ca -0.06 -2.25 -0.17 0.00 0.05 0.00 0.00 55.36 52.93 3khz s GLN 381 Cb -0.15 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 3khz s GLN 381 CO -0.00 -1.09 0.82 -2.30 -0.55 0.00 0.00 175.29 172.17 3khz n PRO 382 N 3.81 0.56 -1.56 1.67 -0.02 -1.26 -0.76 135.00 137.44 3khz n PRO 382 Ca 0.04 0.24 -0.48 0.00 -2.02 0.00 0.00 63.50 61.28 3khz n PRO 382 Cb 0.38 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3khz n PRO 382 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3khz n PRO 383 N -1.21 1.04 -3.50 0.52 -0.02 -1.26 -4.55 135.00 126.02 3khz n PRO 383 Ca 0.12 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3khz n PRO 383 Cb 0.49 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3khz n PRO 383 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3khz s HIS 384 N -0.50 -0.44 0.04 6.00 -3.43 -0.96 -4.90 115.29 111.10 3khz s HIS 384 Ca 0.69 0.24 -0.20 0.00 -0.80 0.00 0.00 55.06 54.99 3khz s HIS 384 Cb -0.84 0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 30.70 3khz s HIS 384 CO 0.55 -0.78 0.58 -0.47 -2.00 0.00 0.00 174.74 172.62 3khz s TYR 385 N -3.57 3.75 -0.40 0.38 5.04 -1.26 -0.21 117.35 121.08 3khz s TYR 385 Ca 0.01 1.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.91 3khz s TYR 385 Cb -0.00 -2.55 0.11 0.00 0.35 0.00 0.00 41.96 39.87 3khz s TYR 385 CO -0.11 0.48 0.13 0.08 -1.34 0.00 0.00 175.55 174.79 3khz s VAL 386 N -0.69 2.09 0.30 3.14 1.01 -1.26 -4.94 120.40 120.05 3khz s VAL 386 Ca 0.30 -2.52 0.06 0.00 0.00 0.00 0.00 61.98 59.82 3khz s VAL 386 Cb -0.19 -2.51 0.29 0.00 0.00 0.00 0.00 36.38 33.97 3khz s VAL 386 CO 0.18 -0.70 1.73 -2.24 0.00 0.00 0.00 175.10 174.08 3khz h ASP 387 N 7.27 0.56 0.41 3.32 3.04 -1.95 0.13 116.42 129.20 3khz h ASP 387 Ca -0.06 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 3khz h ASP 387 Cb 0.97 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 3khz h ASP 387 CO 0.56 0.11 0.00 2.29 -2.04 0.00 0.00 179.24 180.16 3khz n LYS 388 N -4.92 0.18 0.00 4.15 2.85 -1.26 -1.08 118.16 118.08 3khz n LYS 388 Ca 0.23 0.14 0.08 0.00 -1.05 0.00 0.00 58.31 57.72 3khz n LYS 388 Cb 0.65 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.54 3khz n LYS 388 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3khz n ASN 389 N -1.35 1.71 -4.67 -5.58 5.03 0.44 -4.92 115.26 105.92 3khz n ASN 389 Ca 0.07 -1.36 -0.42 0.00 0.87 0.00 0.00 54.58 53.74 3khz n ASN 389 Cb 0.16 0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 39.29 3khz n ASN 389 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3khz s ASP 390 N -1.79 7.08 0.44 6.41 2.15 -0.24 -4.92 116.67 125.81 3khz s ASP 390 Ca 0.14 1.34 0.13 0.00 0.43 0.00 0.00 52.55 54.59 3khz s ASP 390 Cb 0.13 -2.51 1.03 0.00 -0.30 0.00 0.00 42.92 41.27 3khz s ASP 390 CO 0.37 -0.49 2.00 -0.65 -0.17 0.00 0.00 175.17 176.23 3khz h PRO 391 N 7.29 0.38 0.02 4.34 0.11 -1.92 -1.05 132.00 141.16 3khz h PRO 391 Ca -0.27 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.59 3khz h PRO 391 Cb 1.12 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.16 3khz h PRO 391 CO 0.88 0.25 -0.87 0.35 -0.21 0.00 0.00 178.00 178.40 3khz h PHE 392 N 0.39 0.85 -0.18 0.65 3.57 -1.91 -1.83 116.94 118.48 3khz h PHE 392 Ca 0.24 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3khz h PHE 392 Cb 0.43 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3khz h PHE 392 CO -0.00 1.31 0.06 0.28 -2.23 0.00 0.00 178.31 177.73 3khz h VAL 393 N 0.15 1.08 -0.06 1.41 2.07 -1.65 -1.26 116.25 117.99 3khz h VAL 393 Ca -0.11 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3khz h VAL 393 Cb 1.56 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3khz h VAL 393 CO 0.17 0.10 0.02 1.56 0.02 0.00 0.00 177.57 179.44 3khz h GLN 394 N 0.25 0.10 0.00 1.57 4.20 -0.87 -1.76 115.11 118.60 3khz h GLN 394 Ca 0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3khz h GLN 394 Cb 0.08 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3khz h GLN 394 CO -0.01 0.26 -0.12 0.87 -0.67 0.00 0.00 178.83 179.17 3khz h LYS 395 N -0.08 0.00 -0.24 1.46 1.79 -0.93 -1.07 116.57 117.50 3khz h LYS 395 Ca 0.02 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 3khz h LYS 395 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3khz h LYS 395 CO -0.00 0.12 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.18 3khz h LEU 396 N 0.00 0.46 -0.23 2.94 3.38 -0.80 0.39 115.31 121.44 3khz h LEU 396 Ca -0.00 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 3khz h LEU 396 Cb 0.23 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3khz h LEU 396 CO 0.02 0.70 -0.78 0.58 0.09 0.00 0.00 178.44 179.04 3khz h VAL 397 N 0.41 1.32 0.30 1.22 2.07 -0.37 -1.31 116.25 119.88 3khz h VAL 397 Ca 0.06 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 3khz h VAL 397 Cb 0.65 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3khz h VAL 397 CO 0.05 0.64 -0.18 0.74 0.02 0.00 0.00 177.57 178.84 3khz h THR 398 N 0.43 0.00 -0.93 2.57 2.02 -0.50 -0.43 112.91 116.07 3khz h THR 398 Ca -0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.23 3khz h THR 398 Cb 1.40 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.68 3khz h THR 398 CO 0.15 0.00 -0.54 0.00 0.37 0.00 0.00 175.52 175.50 3khz h ALA 399 N -1.64 -0.43 -0.43 6.16 0.00 -0.32 1.44 119.26 124.03 3khz h ALA 399 Ca -0.04 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3khz h ALA 399 Cb 0.36 1.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 3khz h ALA 399 CO 0.04 -0.91 -0.14 -0.92 0.00 0.00 0.00 179.25 177.33 3khz h TYR 400 N -0.05 -0.32 0.07 0.00 3.20 -1.24 0.88 116.97 119.51 3khz h TYR 400 Ca 0.19 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3khz h TYR 400 Cb 0.47 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3khz h TYR 400 CO -0.96 -0.22 -0.19 0.00 -1.64 0.00 0.00 178.16 175.14 3khz h ARG 401 N -0.04 -0.34 -0.10 1.82 2.47 0.96 -2.91 114.38 116.24 3khz h ARG 401 Ca 0.21 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 3khz h ARG 401 Cb 0.36 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3khz h ARG 401 CO -0.47 -0.22 -0.01 -0.97 0.56 0.00 0.00 179.97 178.86 3khz h ASN 402 N -0.35 0.12 -0.18 7.04 -0.73 0.33 -3.25 115.58 118.56 3khz h ASN 402 Ca 0.04 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3khz h ASN 402 Cb 0.39 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.95 3khz h ASN 402 CO -0.14 0.16 0.00 0.00 -0.37 0.00 0.00 177.43 177.08 3khz n GLN 403 N -4.44 1.66 0.00 6.67 6.02 0.16 -4.96 117.38 122.48 3khz n GLN 403 Ca -0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 3khz n GLN 403 Cb 0.14 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3khz n GLN 403 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3khz n THR 404 N 0.74 0.00 0.00 5.09 -2.24 -1.19 -5.07 114.28 111.61 3khz n THR 404 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3khz n THR 404 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3khz n THR 404 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khz n HIS 440 N 0.00 0.00 0.00 4.78 1.44 -1.26 -4.95 115.22 115.22 3khz n HIS 440 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3khz n HIS 440 Cb 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.10 3khz n HIS 440 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3khz n GLN 441 N 0.30 2.91 -3.73 -1.40 6.02 -1.26 -5.00 117.38 115.23 3khz n GLN 441 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3khz n GLN 441 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 3khz n GLN 441 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3khz s LYS 442 N 0.00 0.32 -1.39 -1.09 2.20 -1.26 -4.85 119.74 113.66 3khz s LYS 442 Ca 0.00 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 3khz s LYS 442 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3khz s LYS 442 CO 0.00 -0.13 0.41 0.09 -0.36 0.00 0.00 175.35 175.37 3khz n ASN 443 N 3.84 -0.64 -4.78 1.43 3.02 -1.26 -4.84 115.26 112.02 3khz n ASN 443 Ca -0.21 -1.04 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 3khz n ASN 443 Cb 0.55 -2.92 -0.02 0.00 -0.61 0.00 0.00 39.78 36.78 3khz n ASN 443 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3khz s GLU 444 N -6.60 3.94 0.19 3.52 -1.05 -1.26 -4.93 118.70 112.51 3khz s GLU 444 Ca 0.05 1.66 -0.17 0.00 -0.15 0.00 0.00 54.97 56.35 3khz s GLU 444 Cb -0.02 -2.46 0.03 0.00 -0.44 0.00 0.00 34.13 31.23 3khz s GLU 444 CO 0.90 -0.37 0.52 1.52 0.95 0.00 0.00 175.26 178.77 3khz s TYR 445 N -1.60 -0.10 0.19 4.83 -0.85 -1.26 -2.06 117.35 116.49 3khz s TYR 445 Ca 0.61 -0.24 0.09 0.00 -0.52 0.00 0.00 57.07 57.01 3khz s TYR 445 Cb -0.26 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3khz s TYR 445 CO 0.31 -0.91 -0.18 -1.50 -1.52 0.00 0.00 175.55 171.75 3khz s ILE 446 N -3.88 1.88 0.10 -3.49 2.07 -0.04 -4.54 121.20 113.29 3khz s ILE 446 Ca 0.09 -2.04 -0.17 0.00 -1.41 0.00 0.00 60.65 57.13 3khz s ILE 446 Cb -0.01 -1.94 -0.07 0.00 0.13 0.00 0.00 42.46 40.57 3khz s ILE 446 CO -0.03 -0.38 0.55 -0.89 -1.91 0.00 0.00 174.94 172.29 3khz s THR 447 N -2.29 4.80 0.24 4.00 2.01 -1.26 -1.06 115.64 122.07 3khz s THR 447 Ca 0.19 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.19 3khz s THR 447 Cb -0.05 -3.83 0.21 0.00 0.01 0.00 0.00 72.50 68.85 3khz s THR 447 CO 0.08 0.44 1.71 0.11 -0.69 0.00 0.00 174.62 176.26 3khz h LYS 448 N 4.19 0.33 -0.06 4.92 1.57 -1.37 0.14 116.57 126.28 3khz h LYS 448 Ca -0.49 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 3khz h LYS 448 Cb 1.21 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3khz h LYS 448 CO 0.64 0.22 0.02 0.87 -0.57 0.00 0.00 179.45 180.62 3khz h LYS 449 N 0.34 0.09 -0.21 3.15 1.79 -1.94 -1.32 116.57 118.47 3khz h LYS 449 Ca 0.40 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.89 3khz h LYS 449 Cb 0.64 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 3khz h LYS 449 CO -0.45 0.28 -0.11 1.96 -1.08 0.00 0.00 179.45 180.05 3khz h GLN 450 N -0.11 -0.08 -0.38 3.15 4.20 -1.87 0.12 115.11 120.13 3khz h GLN 450 Ca 0.02 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3khz h GLN 450 Cb 0.23 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 3khz h GLN 450 CO -0.00 -0.05 0.09 1.25 -0.67 0.00 0.00 178.83 179.45 3khz h LEU 451 N -0.09 0.04 -0.35 1.46 5.85 -0.53 -1.36 115.31 120.35 3khz h LEU 451 Ca 0.11 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 3khz h LEU 451 Cb 0.26 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3khz h LEU 451 CO -0.26 0.06 -0.77 -0.26 -0.34 0.00 0.00 178.44 176.87 3khz h PHE 452 N 0.22 0.00 0.21 1.25 0.04 -0.90 -2.90 116.94 114.87 3khz h PHE 452 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3khz h PHE 452 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3khz h PHE 452 CO -0.18 0.77 -0.14 -0.91 -0.60 0.00 0.00 178.31 177.24 3khz h ASN 453 N 0.00 -0.37 -0.55 2.17 4.21 -0.36 -2.14 115.58 118.54 3khz h ASN 453 Ca -0.01 0.03 0.09 0.00 1.21 0.00 0.00 56.30 57.62 3khz h ASN 453 Cb 1.43 0.12 -0.11 0.00 -1.12 0.00 0.00 38.32 38.63 3khz h ASN 453 CO 0.10 -0.23 -0.38 0.00 -1.29 0.00 0.00 177.43 175.63 3khz h ALA 454 N 0.42 -0.19 -0.21 -0.83 0.00 -1.12 0.15 119.26 117.48 3khz h ALA 454 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3khz h ALA 454 Cb 0.31 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3khz h ALA 454 CO 0.01 -0.75 -0.12 1.15 0.00 0.00 0.00 179.25 179.53 3khz h THR 455 N -0.21 0.63 -0.28 0.00 2.02 -1.33 0.21 112.91 113.95 3khz h THR 455 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 3khz h THR 455 Cb 0.56 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3khz h THR 455 CO -0.66 0.00 -0.17 0.77 0.37 0.00 0.00 175.52 175.83 3khz h SER 456 N -0.11 0.49 -0.01 4.18 4.64 -0.66 0.32 113.55 122.40 3khz h SER 456 Ca 0.12 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3khz h SER 456 Cb 0.29 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3khz h SER 456 CO -0.28 0.68 -0.00 0.40 -0.87 0.00 0.00 176.83 176.76 3khz h ILE 457 N 0.46 1.26 -0.80 0.95 2.04 0.02 -0.99 117.51 120.44 3khz h ILE 457 Ca 0.08 -0.76 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3khz h ILE 457 Cb 0.56 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 3khz h ILE 457 CO 0.04 0.20 0.53 1.88 0.00 0.00 0.00 178.15 180.79 3khz h TYR 458 N -0.30 0.74 -0.60 1.37 0.05 -0.39 -1.64 116.97 116.19 3khz h TYR 458 Ca 0.00 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 3khz h TYR 458 Cb 0.33 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3khz h TYR 458 CO 0.04 0.32 0.01 1.25 -1.05 0.00 0.00 178.16 178.72 3khz h LEU 459 N 0.66 1.03 -0.02 3.88 5.85 -0.04 -1.61 115.31 125.07 3khz h LEU 459 Ca 0.38 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3khz h LEU 459 Cb 0.57 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3khz h LEU 459 CO -0.15 1.08 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.74 3khz h GLU 460 N 0.95 0.18 -0.03 1.25 4.81 -0.41 -2.30 114.58 119.04 3khz h GLU 460 Ca 0.17 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3khz h GLU 460 Cb 0.55 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 3khz h GLU 460 CO 0.03 0.86 -0.01 0.00 -0.73 0.00 0.00 179.01 179.16 3khz h ALA 461 N 0.32 0.02 -0.49 2.92 0.00 -1.32 -1.50 119.26 119.20 3khz h ALA 461 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3khz h ALA 461 Cb 0.92 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3khz h ALA 461 CO 0.04 -0.50 0.22 0.82 0.00 0.00 0.00 179.25 179.84 3khz h ILE 462 N -0.00 1.20 -0.31 0.00 2.04 -1.35 -2.18 117.51 116.91 3khz h ILE 462 Ca 0.01 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.35 3khz h ILE 462 Cb 0.02 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3khz h ILE 462 CO -0.03 0.22 -0.01 0.22 0.00 0.00 0.00 178.15 178.55 3khz h TYR 463 N 0.65 -0.04 0.00 1.37 3.20 -1.12 0.10 116.97 121.13 3khz h TYR 463 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3khz h TYR 463 Cb 0.14 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3khz h TYR 463 CO -0.00 -0.07 -0.08 1.03 -1.64 0.00 0.00 178.16 177.40 3khz h SER 464 N 0.07 0.00 0.08 -2.11 0.87 -0.84 0.15 113.55 111.77 3khz h SER 464 Ca 0.15 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.34 3khz h SER 464 Cb 0.20 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 3khz h SER 464 CO -0.26 0.08 -2.28 0.18 -0.53 0.00 0.00 176.83 174.02 3khz n LEU 465 N -3.32 1.86 -0.75 2.23 4.32 -0.82 -4.16 117.00 116.35 3khz n LEU 465 Ca -0.01 0.03 0.07 0.00 -0.02 0.00 0.00 56.01 56.08 3khz n LEU 465 Cb 0.27 -0.44 0.15 0.00 -1.62 0.00 0.00 43.42 41.78 3khz n LEU 465 CO 0.28 0.74 0.60 0.00 -1.22 0.00 0.00 177.39 177.79 3khz n VAL 467 N 0.85 0.21 0.70 0.00 0.31 0.50 0.70 118.33 121.60 3khz n VAL 467 Ca 0.13 0.07 0.08 0.00 -0.01 0.00 0.00 64.34 64.61 3khz n VAL 467 Cb 0.44 -0.61 0.07 0.00 -0.91 0.00 0.00 33.84 32.83 3khz n VAL 467 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89