#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywt s GLU 2 N 0.00 4.41 0.27 3.17 2.02 -1.26 -4.93 118.70 122.38 1ywt s GLU 2 Ca 0.00 1.56 -0.00 0.00 0.02 0.00 0.00 54.97 56.55 1ywt s GLU 2 Cb 0.00 -2.81 0.56 0.00 0.10 0.00 0.00 34.13 31.98 1ywt s GLU 2 CO 0.00 0.07 1.77 -0.09 0.02 0.00 0.00 175.26 177.03 1ywt h ARG 3 N 3.07 0.66 -0.88 1.61 2.43 -1.94 -1.07 114.38 118.26 1ywt h ARG 3 Ca -0.47 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 58.77 1ywt h ARG 3 Cb 1.21 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 1ywt h ARG 3 CO 0.64 0.43 0.51 0.00 -1.51 0.00 0.00 179.97 180.05 1ywt h ALA 4 N 1.56 1.30 0.05 2.80 0.00 -1.99 -0.98 119.26 122.01 1ywt h ALA 4 Ca 0.48 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 1ywt h ALA 4 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ywt h ALA 4 CO -0.35 0.09 -1.04 0.66 0.00 0.00 0.00 179.25 178.61 1ywt h SER 5 N 0.81 0.25 -0.61 0.00 4.64 -1.63 -2.71 113.55 114.31 1ywt h SER 5 Ca 0.44 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1ywt h SER 5 Cb 0.47 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1ywt h SER 5 CO -0.28 1.13 0.39 -0.07 -0.87 0.00 0.00 176.83 177.14 1ywt h LEU 6 N 0.07 0.67 -0.95 5.97 3.38 -0.50 0.24 115.31 124.19 1ywt h LEU 6 Ca -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ywt h LEU 6 Cb 1.75 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1ywt h LEU 6 CO 0.16 0.48 0.26 0.40 0.09 0.00 0.00 178.44 179.82 1ywt h ILE 7 N 0.79 1.24 -0.53 1.22 1.08 -1.24 -2.25 117.51 117.83 1ywt h ILE 7 Ca 0.23 -0.77 -0.11 0.00 -0.39 0.00 0.00 64.86 63.82 1ywt h ILE 7 Cb -0.05 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1ywt h ILE 7 CO -0.07 0.31 -0.11 -0.61 -0.69 0.00 0.00 178.15 176.98 1ywt h GLN 8 N 1.00 0.99 0.00 2.37 5.75 -0.91 -2.84 115.11 121.47 1ywt h GLN 8 Ca 0.23 -0.36 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 1ywt h GLN 8 Cb 0.21 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1ywt h GLN 8 CO -0.02 1.04 -0.49 0.87 -2.65 0.00 0.00 178.83 177.58 1ywt h LYS 9 N 0.88 0.00 -0.34 1.69 1.57 -0.25 -2.46 116.57 117.66 1ywt h LYS 9 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1ywt h LYS 9 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1ywt h LYS 9 CO 0.05 0.49 0.04 0.00 -0.57 0.00 0.00 179.45 179.45 1ywt h ALA 10 N 1.51 0.45 -0.76 3.86 0.00 -1.26 0.31 119.26 123.38 1ywt h ALA 10 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ywt h ALA 10 Cb 0.87 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1ywt h ALA 10 CO 0.06 0.16 0.50 0.87 0.00 0.00 0.00 179.25 180.85 1ywt h LYS 11 N 0.39 0.94 -0.23 0.00 1.57 -1.36 0.14 116.57 118.02 1ywt h LYS 11 Ca 0.10 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ywt h LYS 11 Cb 0.38 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ywt h LYS 11 CO 0.01 0.62 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.27 1ywt h LEU 12 N 0.97 0.55 -0.15 2.94 3.38 -1.05 -2.52 115.31 119.43 1ywt h LEU 12 Ca 0.29 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ywt h LEU 12 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ywt h LEU 12 CO -0.08 0.88 -0.11 0.00 0.09 0.00 0.00 178.44 179.22 1ywt h ALA 13 N 0.69 0.01 -0.29 1.53 0.00 0.51 -1.14 119.26 120.56 1ywt h ALA 13 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ywt h ALA 13 Cb 0.70 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ywt h ALA 13 CO 0.05 -0.55 0.20 1.49 0.00 0.00 0.00 179.25 180.43 1ywt h GLU 14 N -0.12 0.33 -0.25 0.00 4.81 -0.76 0.03 114.58 118.63 1ywt h GLU 14 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ywt h GLU 14 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1ywt h GLU 14 CO -0.23 0.22 0.09 1.96 -0.73 0.00 0.00 179.01 180.32 1ywt h GLN 15 N 0.34 0.37 -0.16 1.92 1.08 -0.79 -2.63 115.11 115.24 1ywt h GLN 15 Ca 0.11 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ywt h GLN 15 Cb 0.04 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1ywt h GLN 15 CO -0.02 0.43 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 1ywt n ALA 16 N -2.26 2.50 -3.91 3.87 0.00 -0.56 -4.91 120.51 115.23 1ywt n ALA 16 Ca -0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 1ywt n ALA 16 Cb 0.14 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.57 1ywt n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ywt n GLU 17 N -0.01 -5.35 -3.34 0.00 1.02 -0.18 -4.92 120.64 107.85 1ywt n GLU 17 Ca 0.09 0.59 -0.35 0.00 -0.02 0.00 0.00 57.16 57.46 1ywt n GLU 17 Cb 0.17 -5.43 -0.04 0.00 -0.02 0.00 0.00 31.44 26.12 1ywt n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ywt n ARG 18 N -4.64 3.26 -0.19 3.49 1.74 -0.19 -4.91 116.66 115.22 1ywt n ARG 18 Ca 0.01 -4.58 0.06 0.00 -0.77 0.00 0.00 57.85 52.57 1ywt n ARG 18 Cb 0.54 -2.40 0.34 0.00 -1.02 0.00 0.00 32.46 29.92 1ywt n ARG 18 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1ywt h TYR 19 N 5.17 0.80 -0.39 -1.55 0.05 -1.91 -0.79 116.97 118.35 1ywt h TYR 19 Ca 0.19 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1ywt h TYR 19 Cb 0.69 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1ywt h TYR 19 CO 0.82 0.43 0.20 1.49 -1.05 0.00 0.00 178.16 180.05 1ywt h GLU 20 N 0.79 0.55 -0.54 4.88 4.81 -1.91 0.10 114.58 123.27 1ywt h GLU 20 Ca 0.32 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1ywt h GLU 20 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1ywt h GLU 20 CO -0.10 0.46 0.18 -0.44 -0.73 0.00 0.00 179.01 178.38 1ywt h ASP 21 N 0.49 0.78 -0.52 1.04 3.32 -1.84 -2.56 116.42 117.14 1ywt h ASP 21 Ca 0.14 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1ywt h ASP 21 Cb 0.09 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1ywt h ASP 21 CO -0.02 0.77 0.29 -0.03 -1.72 0.00 0.00 179.24 178.53 1ywt h MET 22 N 0.74 0.54 -0.46 3.56 4.05 -0.76 -1.43 114.93 121.18 1ywt h MET 22 Ca 0.17 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1ywt h MET 22 Cb 0.27 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1ywt h MET 22 CO -0.01 0.36 0.06 0.00 0.23 0.00 0.00 176.91 177.55 1ywt h ALA 23 N 1.26 1.25 -0.24 0.39 0.00 -0.66 -2.01 119.26 119.25 1ywt h ALA 23 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ywt h ALA 23 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ywt h ALA 23 CO -0.13 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.63 1ywt h ALA 24 N 1.38 0.32 0.19 0.00 0.00 -1.02 -1.10 119.26 119.04 1ywt h ALA 24 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ywt h ALA 24 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ywt h ALA 24 CO 0.01 0.06 -0.24 0.74 0.00 0.00 0.00 179.25 179.81 1ywt h PHE 25 N 0.20 -0.65 -1.00 0.00 0.05 -1.10 -1.03 116.94 113.40 1ywt h PHE 25 Ca 0.07 0.01 0.13 0.00 3.82 0.00 0.00 57.97 61.99 1ywt h PHE 25 Cb 0.42 0.26 -0.09 0.00 2.00 0.00 0.00 35.95 38.54 1ywt h PHE 25 CO 0.04 -0.35 0.63 0.52 -0.18 0.00 0.00 178.31 178.96 1ywt h MET 26 N -0.49 0.93 -0.87 1.51 2.86 -1.33 0.15 114.93 117.69 1ywt h MET 26 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ywt h MET 26 Cb 0.48 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1ywt h MET 26 CO -0.09 0.62 0.52 -0.22 1.06 0.00 0.00 176.91 178.80 1ywt h LYS 27 N 0.96 1.18 -0.30 1.72 3.64 -0.51 0.27 116.57 123.53 1ywt h LYS 27 Ca 0.51 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.67 1ywt h LYS 27 Cb 0.54 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1ywt h LYS 27 CO -0.28 0.83 -0.27 0.78 -2.27 0.00 0.00 179.45 178.24 1ywt h GLY 28 N 1.21 0.66 1.42 5.01 0.00 0.48 -2.20 103.07 109.64 1ywt h GLY 28 Ca 0.31 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1ywt h GLY 28 CO -0.06 0.52 -0.26 0.00 0.00 0.00 0.00 176.54 176.74 1ywt h ALA 29 N 1.18 0.93 -0.12 3.60 0.00 -0.22 -3.13 119.26 121.49 1ywt h ALA 29 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ywt h ALA 29 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ywt h ALA 29 CO 0.06 0.61 -0.01 0.28 0.00 0.00 0.00 179.25 180.19 1ywt h VAL 30 N 0.57 1.27 0.00 0.00 2.07 -0.73 -2.79 116.25 116.64 1ywt h VAL 30 Ca 0.08 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ywt h VAL 30 Cb 0.75 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1ywt h VAL 30 CO 0.06 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 1ywt n GLU 31 N -4.77 0.18 0.09 1.57 1.02 -0.85 -1.74 120.64 116.14 1ywt n GLU 31 Ca -0.06 0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1ywt n GLU 31 Cb 0.22 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.57 1ywt n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ywt n LYS 32 N -1.17 0.13 0.00 3.49 4.76 -1.05 -4.90 118.16 119.42 1ywt n LYS 32 Ca 0.05 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1ywt n LYS 32 Cb 0.05 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1ywt n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ywt n GLY 33 N -0.08 3.19 3.83 0.72 0.00 -0.71 -5.07 105.19 107.08 1ywt n GLY 33 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1ywt n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ywt s GLU 34 N -0.38 4.05 0.95 1.61 2.02 -1.26 -5.07 118.70 120.62 1ywt s GLU 34 Ca 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 54.97 55.45 1ywt s GLU 34 Cb 0.00 -2.99 0.14 0.00 0.10 0.00 0.00 34.13 31.37 1ywt s GLU 34 CO 0.00 0.51 0.96 0.39 0.02 0.00 0.00 175.26 177.13 1ywt n GLU 35 N 1.00 -0.62 -4.05 1.61 1.02 -1.26 -4.85 120.64 113.48 1ywt n GLU 35 Ca -0.06 -0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.63 1ywt n GLU 35 Cb 0.52 -2.24 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 1ywt n GLU 35 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ywt s LEU 36 N -5.39 4.00 0.91 -4.62 1.43 -1.26 -5.11 118.68 108.64 1ywt s LEU 36 Ca 0.65 0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.79 1ywt s LEU 36 Cb -0.23 -2.37 0.14 0.00 0.03 0.00 0.00 46.19 43.76 1ywt s LEU 36 CO 0.61 0.26 1.20 -0.94 0.23 0.00 0.00 176.35 177.70 1ywt s SER 37 N -1.84 3.59 0.20 2.29 1.04 -1.26 -4.72 113.70 113.00 1ywt s SER 37 Ca 0.24 0.71 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 1ywt s SER 37 Cb -0.12 -1.10 0.24 0.00 0.10 0.00 0.00 66.02 65.14 1ywt s SER 37 CO 0.16 -2.48 1.77 0.00 0.98 0.00 0.00 173.24 173.67 1ywt h GLU 39 N 0.49 0.31 -0.81 0.00 4.81 -2.01 -2.48 114.58 114.89 1ywt h GLU 39 Ca 0.29 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ywt h GLU 39 Cb 0.28 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1ywt h GLU 39 CO -0.24 0.21 0.44 0.93 -0.73 0.00 0.00 179.01 179.61 1ywt h GLU 40 N 0.32 1.14 -0.61 1.92 5.08 -1.71 -2.58 114.58 118.14 1ywt h GLU 40 Ca 0.11 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1ywt h GLU 40 Cb 0.01 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 28.98 1ywt h GLU 40 CO -0.06 0.85 0.28 0.00 -1.00 0.00 0.00 179.01 179.07 1ywt h ARG 41 N 1.13 0.50 -0.32 2.33 3.08 -0.37 -1.64 114.38 119.08 1ywt h ARG 41 Ca 0.28 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1ywt h ARG 41 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1ywt h ARG 41 CO -0.04 0.33 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.10 1ywt h ASN 42 N 0.51 0.58 -0.78 7.04 2.35 -1.20 -2.14 115.58 121.95 1ywt h ASN 42 Ca 0.29 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1ywt h ASN 42 Cb 0.28 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1ywt h ASN 42 CO -0.24 0.77 0.51 -0.07 -1.65 0.00 0.00 177.43 176.75 1ywt h LEU 43 N 0.53 0.89 -0.13 1.61 3.38 -0.95 -0.18 115.31 120.46 1ywt h LEU 43 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ywt h LEU 43 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ywt h LEU 43 CO 0.04 0.64 0.07 0.25 0.09 0.00 0.00 178.44 179.53 1ywt h LEU 44 N 1.05 0.16 -0.57 1.67 5.85 -0.82 -0.99 115.31 121.66 1ywt h LEU 44 Ca 0.29 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 1ywt h LEU 44 Cb -0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ywt h LEU 44 CO -0.06 0.21 -0.62 0.77 -0.34 0.00 0.00 178.44 178.39 1ywt h SER 45 N 0.10 0.39 -0.41 1.25 4.64 -1.24 -2.56 113.55 115.72 1ywt h SER 45 Ca 0.05 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 1ywt h SER 45 Cb 0.08 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1ywt h SER 45 CO -0.01 0.91 0.12 0.58 -0.87 0.00 0.00 176.83 177.57 1ywt h VAL 46 N 0.25 1.22 0.39 0.95 2.07 -0.92 0.27 116.25 120.47 1ywt h VAL 46 Ca -0.01 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1ywt h VAL 46 Cb 1.15 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1ywt h VAL 46 CO 0.10 0.26 -0.19 0.00 0.02 0.00 0.00 177.57 177.76 1ywt h ALA 47 N 0.97 -0.52 -0.06 1.67 0.00 -1.14 -1.87 119.26 118.32 1ywt h ALA 47 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1ywt h ALA 47 Cb 0.27 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ywt h ALA 47 CO -0.00 -0.77 -0.46 1.88 0.00 0.00 0.00 179.25 179.89 1ywt h TYR 48 N -0.56 0.17 -0.59 0.00 0.05 -1.45 -2.08 116.97 112.52 1ywt h TYR 48 Ca -0.05 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 1ywt h TYR 48 Cb 0.42 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1ywt h TYR 48 CO -0.04 0.58 0.26 -0.22 -1.05 0.00 0.00 178.16 177.69 1ywt h LYS 49 N 0.12 0.86 -0.23 4.88 1.63 -0.37 -0.51 116.57 122.95 1ywt h LYS 49 Ca 0.01 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 1ywt h LYS 49 Cb 0.86 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1ywt h LYS 49 CO 0.07 0.72 -0.09 -0.91 -3.45 0.00 0.00 179.45 175.79 1ywt h ASN 50 N 0.81 0.48 0.26 4.20 2.35 -1.17 0.23 115.58 122.74 1ywt h ASN 50 Ca 0.20 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1ywt h ASN 50 Cb 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1ywt h ASN 50 CO -0.02 0.77 -0.20 0.58 -1.65 0.00 0.00 177.43 176.90 1ywt h VAL 51 N 0.19 0.56 -0.13 2.81 2.07 -1.25 -2.43 116.25 118.07 1ywt h VAL 51 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1ywt h VAL 51 Cb 0.57 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ywt h VAL 51 CO 0.03 0.00 -0.30 1.62 0.02 0.00 0.00 177.57 178.94 1ywt h VAL 52 N -0.48 1.26 -0.91 2.57 3.04 -1.12 -2.98 116.25 117.64 1ywt h VAL 52 Ca -0.02 -1.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 1ywt h VAL 52 Cb 0.42 1.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.15 1ywt h VAL 52 CO -0.01 0.38 0.58 1.23 -1.01 0.00 0.00 177.57 178.74 1ywt h GLY 53 N 1.04 1.29 0.95 3.17 0.00 -0.25 0.67 103.07 109.94 1ywt h GLY 53 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1ywt h GLY 53 CO 0.05 0.49 0.18 -1.33 0.00 0.00 0.00 176.54 175.93 1ywt h GLY 54 N 1.24 0.59 0.93 4.60 0.00 -1.29 -1.38 103.07 107.77 1ywt h GLY 54 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1ywt h GLY 54 CO -0.07 0.28 0.10 1.46 0.00 0.00 0.00 176.54 178.32 1ywt h GLN 55 N 0.48 0.62 -0.95 4.80 4.20 -1.39 -0.70 115.11 122.18 1ywt h GLN 55 Ca 0.13 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1ywt h GLN 55 Cb 0.12 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1ywt h GLN 55 CO -0.02 0.64 0.62 0.00 -0.67 0.00 0.00 178.83 179.41 1ywt h ARG 56 N 0.49 1.21 -0.34 1.46 3.08 -0.75 0.14 114.38 119.68 1ywt h ARG 56 Ca 0.12 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1ywt h ARG 56 Cb 0.29 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ywt h ARG 56 CO -0.00 0.80 -0.00 0.00 -1.07 0.00 0.00 179.97 179.70 1ywt h ALA 57 N 1.36 0.46 -0.08 0.04 0.00 -1.06 -1.08 119.26 118.90 1ywt h ALA 57 Ca 0.36 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ywt h ALA 57 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ywt h ALA 57 CO -0.09 0.22 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 1ywt h ALA 58 N 0.85 -0.02 -0.22 0.00 0.00 -0.57 -1.25 119.26 118.06 1ywt h ALA 58 Ca 0.10 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ywt h ALA 58 Cb 0.45 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1ywt h ALA 58 CO 0.02 -0.55 -0.16 2.35 0.00 0.00 0.00 179.25 180.91 1ywt h TRP 59 N -0.10 -0.40 -0.81 0.00 7.01 -0.59 -0.73 115.95 120.33 1ywt h TRP 59 Ca 0.06 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1ywt h TRP 59 Cb 0.19 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 1ywt h TRP 59 CO -0.18 -0.23 0.52 0.00 -2.79 0.00 0.00 178.44 175.76 1ywt h ARG 60 N -0.16 1.00 -0.04 2.65 3.08 -0.99 0.21 114.38 120.13 1ywt h ARG 60 Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ywt h ARG 60 Cb 0.35 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ywt h ARG 60 CO -0.31 0.66 0.03 0.28 -1.07 0.00 0.00 179.97 179.55 1ywt h VAL 61 N 1.03 1.03 0.44 2.04 2.07 -0.71 -2.32 116.25 119.82 1ywt h VAL 61 Ca 0.32 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 1ywt h VAL 61 Cb -0.01 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1ywt h VAL 61 CO -0.11 0.02 -0.21 -0.07 0.02 0.00 0.00 177.57 177.23 1ywt h LEU 62 N 0.04 -0.50 -1.68 2.57 3.38 -0.74 -2.25 115.31 116.13 1ywt h LEU 62 Ca 0.02 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1ywt h LEU 62 Cb 0.02 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ywt h LEU 62 CO -0.00 -0.22 0.47 0.77 0.09 0.00 0.00 178.44 179.55 1ywt h SER 63 N -0.77 0.30 0.01 -0.43 4.64 -0.61 0.16 113.55 116.84 1ywt h SER 63 Ca -0.06 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 1ywt h SER 63 Cb 0.54 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ywt h SER 63 CO 0.10 0.16 -0.61 0.77 -0.87 0.00 0.00 176.83 176.38 1ywt h SER 64 N 0.32 0.68 0.04 4.97 4.64 -1.32 -1.91 113.55 120.98 1ywt h SER 64 Ca 0.33 -0.39 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1ywt h SER 64 Cb 0.85 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1ywt h SER 64 CO -0.09 1.13 -0.23 0.40 -0.87 0.00 0.00 176.83 177.18 1ywt h ILE 65 N 0.45 1.24 -0.42 0.95 2.04 -0.24 -0.14 117.51 121.38 1ywt h ILE 65 Ca -0.01 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1ywt h ILE 65 Cb 1.18 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1ywt h ILE 65 CO 0.12 0.35 -0.18 -0.08 0.00 0.00 0.00 178.15 178.35 1ywt h GLU 66 N 0.29 0.87 -0.03 2.37 4.81 -0.56 -3.17 114.58 119.16 1ywt h GLU 66 Ca 0.05 -0.37 -0.19 0.00 -0.13 0.00 0.00 59.36 58.72 1ywt h GLU 66 Cb 0.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ywt h GLU 66 CO 0.04 1.01 -0.82 1.96 -0.73 0.00 0.00 179.01 180.47 1ywt h GLN 67 N 0.69 0.31 -3.88 1.92 4.20 -1.14 -3.36 115.11 113.85 1ywt h GLN 67 Ca 0.10 -0.29 -0.71 0.00 0.06 0.00 0.00 58.65 57.81 1ywt h GLN 67 Cb 0.74 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1ywt h GLN 67 CO 0.06 0.97 3.12 1.63 -0.67 0.00 0.00 178.83 183.94 1ywt n LYS 68 N -3.75 2.98 -2.43 1.46 5.02 -0.08 -5.11 118.16 116.26 1ywt n LYS 68 Ca -0.04 -2.63 -0.01 0.00 -2.02 0.00 0.00 58.31 53.60 1ywt n LYS 68 Cb 0.76 -3.22 -0.01 0.00 -0.02 0.00 0.00 35.03 32.54 1ywt n LYS 68 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ywt n SER 69 N 5.72 -4.40 -0.20 4.39 3.41 -1.26 -4.92 113.62 116.37 1ywt n SER 69 Ca 0.53 1.32 -0.10 0.00 -0.26 0.00 0.00 58.87 60.37 1ywt n SER 69 Cb 0.37 -3.27 0.02 0.00 -0.26 0.00 0.00 64.21 61.07 1ywt n SER 69 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ywt h PRO 79 N 4.33 1.01 -0.56 4.33 0.13 -2.03 -3.42 132.00 135.80 1ywt h PRO 79 Ca -0.10 -0.33 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1ywt h PRO 79 Cb 0.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1ywt h PRO 79 CO 0.00 1.01 0.07 0.93 -0.23 0.00 0.00 178.00 179.79 1ywt h GLU 80 N 0.89 0.93 -0.11 0.86 3.07 -2.05 -2.99 114.58 115.18 1ywt h GLU 80 Ca 0.16 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1ywt h GLU 80 Cb 0.57 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 1ywt h GLU 80 CO 0.03 0.91 -0.10 0.28 -1.40 0.00 0.00 179.01 178.73 1ywt h VAL 81 N 0.82 0.71 0.15 3.13 2.07 -1.99 -0.80 116.25 120.35 1ywt h VAL 81 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1ywt h VAL 81 Cb 0.44 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1ywt h VAL 81 CO 0.01 0.00 -0.07 -0.09 0.02 0.00 0.00 177.57 177.44 1ywt h ARG 82 N -0.12 -0.19 -0.96 1.57 2.43 -1.96 0.11 114.38 115.26 1ywt h ARG 82 Ca 0.08 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1ywt h ARG 82 Cb 0.23 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 1ywt h ARG 82 CO -0.19 -0.09 0.59 0.93 -1.51 0.00 0.00 179.97 179.71 1ywt h GLU 83 N -0.25 0.92 -0.04 0.20 5.08 -1.37 -0.32 114.58 118.80 1ywt h GLU 83 Ca -0.02 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 1ywt h GLU 83 Cb 0.20 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ywt h GLU 83 CO 0.03 0.61 -0.92 -0.92 -1.00 0.00 0.00 179.01 176.81 1ywt h TYR 84 N 0.95 0.89 -0.88 4.33 3.20 -0.95 -2.66 116.97 121.85 1ywt h TYR 84 Ca 0.47 -0.45 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1ywt h TYR 84 Cb 0.46 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1ywt h TYR 84 CO -0.02 1.28 0.58 -0.09 -1.64 0.00 0.00 178.16 178.26 1ywt h ARG 85 N 0.38 1.10 -0.57 1.82 2.43 -0.05 -1.76 114.38 117.73 1ywt h ARG 85 Ca -0.09 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1ywt h ARG 85 Cb 1.56 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1ywt h ARG 85 CO 0.18 0.73 0.14 0.93 -1.51 0.00 0.00 179.97 180.43 1ywt h GLU 86 N 1.13 0.88 -0.10 0.20 5.08 -1.06 0.59 114.58 121.30 1ywt h GLU 86 Ca 0.35 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ywt h GLU 86 Cb -0.03 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1ywt h GLU 86 CO -0.11 0.78 0.05 -0.22 -1.00 0.00 0.00 179.01 178.52 1ywt h LYS 87 N 0.84 0.14 -0.61 2.33 3.64 -0.98 -0.20 116.57 121.73 1ywt h LYS 87 Ca 0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1ywt h LYS 87 Cb 0.30 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1ywt h LYS 87 CO -0.00 0.20 0.40 0.28 -2.27 0.00 0.00 179.45 178.05 1ywt h VAL 88 N 0.04 1.14 -0.55 2.00 2.07 -1.11 -1.50 116.25 118.33 1ywt h VAL 88 Ca 0.03 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1ywt h VAL 88 Cb 0.10 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1ywt h VAL 88 CO -0.00 0.15 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 1ywt h GLU 89 N 0.81 0.69 -0.49 1.57 4.81 -0.68 0.20 114.58 121.49 1ywt h GLU 89 Ca 0.23 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1ywt h GLU 89 Cb -0.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1ywt h GLU 89 CO -0.06 0.45 -0.04 1.15 -0.73 0.00 0.00 179.01 179.78 1ywt h THR 90 N 0.71 1.25 -0.26 0.32 2.02 -0.74 -0.57 112.91 115.64 1ywt h THR 90 Ca 0.21 -1.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.18 1ywt h THR 90 Cb -0.04 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1ywt h THR 90 CO -0.07 0.38 -0.32 -0.08 0.37 0.00 0.00 175.52 175.80 1ywt h GLU 91 N 0.77 0.55 -0.35 6.66 4.81 -0.83 -2.23 114.58 123.96 1ywt h GLU 91 Ca 0.14 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 1ywt h GLU 91 Cb 0.52 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1ywt h GLU 91 CO 0.03 0.81 -0.42 1.25 -0.73 0.00 0.00 179.01 179.94 1ywt h LEU 92 N 0.47 0.96 -1.54 1.64 6.46 -0.53 -2.86 115.31 119.91 1ywt h LEU 92 Ca 0.06 -0.45 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1ywt h LEU 92 Cb 0.79 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1ywt h LEU 92 CO 0.06 1.24 -0.23 1.56 -0.62 0.00 0.00 178.44 180.46 1ywt h GLN 93 N 0.72 0.00 -0.20 1.25 4.20 -0.98 -2.16 115.11 117.94 1ywt h GLN 93 Ca 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1ywt h GLN 93 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1ywt h GLN 93 CO 0.10 0.23 0.02 0.78 -0.67 0.00 0.00 178.83 179.29 1ywt h GLY 94 N 1.11 0.36 0.89 3.46 0.00 -1.18 -1.54 103.07 106.17 1ywt h GLY 94 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ywt h GLY 94 CO 0.03 0.23 0.08 -2.08 0.00 0.00 0.00 176.54 174.80 1ywt h VAL 95 N 0.11 1.15 -0.89 4.60 2.07 -1.34 -1.70 116.25 120.26 1ywt h VAL 95 Ca 0.06 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1ywt h VAL 95 Cb 0.34 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1ywt h VAL 95 CO 0.01 0.15 0.56 0.00 0.02 0.00 0.00 177.57 178.31 1ywt h ASP 97 N 1.06 0.30 -0.08 0.00 3.32 -1.13 0.44 116.42 120.33 1ywt h ASP 97 Ca 0.37 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1ywt h ASP 97 Cb 0.09 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ywt h ASP 97 CO -0.15 0.57 -0.02 0.74 -1.72 0.00 0.00 179.24 178.66 1ywt h THR 98 N 0.27 1.30 -0.27 0.35 2.02 -0.21 -0.66 112.91 115.71 1ywt h THR 98 Ca 0.04 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1ywt h THR 98 Cb 0.62 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1ywt h THR 98 CO 0.04 0.26 0.17 0.58 0.37 0.00 0.00 175.52 176.95 1ywt h VAL 99 N -0.19 1.09 -0.58 3.16 2.07 -0.67 -1.17 116.25 119.95 1ywt h VAL 99 Ca 0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ywt h VAL 99 Cb 0.43 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1ywt h VAL 99 CO 0.01 0.08 0.28 -0.07 0.02 0.00 0.00 177.57 177.89 1ywt h LEU 100 N 0.35 0.74 -0.45 2.57 3.38 -0.91 -0.99 115.31 120.00 1ywt h LEU 100 Ca 0.10 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1ywt h LEU 100 Cb -0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ywt h LEU 100 CO -0.02 0.63 -0.50 1.23 0.09 0.00 0.00 178.44 179.87 1ywt h GLY 101 N 0.91 0.79 1.27 0.83 0.00 -0.84 -0.66 103.07 105.37 1ywt h GLY 101 Ca 0.20 -0.88 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1ywt h GLY 101 CO -0.03 0.79 0.26 -2.00 0.00 0.00 0.00 176.54 175.56 1ywt h LEU 102 N 0.57 0.86 -0.11 3.11 5.85 -0.76 -2.13 115.31 122.70 1ywt h LEU 102 Ca 0.02 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1ywt h LEU 102 Cb 1.07 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1ywt h LEU 102 CO 0.10 0.77 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.57 1ywt h LEU 103 N 0.92 0.49 -1.16 2.25 3.38 -0.96 -2.49 115.31 117.74 1ywt h LEU 103 Ca 0.22 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1ywt h LEU 103 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ywt h LEU 103 CO -0.02 1.00 -0.33 0.44 0.09 0.00 0.00 178.44 179.63 1ywt h ASP 104 N -0.01 0.00 -0.06 -0.43 5.19 -0.96 0.17 116.42 120.33 1ywt h ASP 104 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ywt h ASP 104 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1ywt h ASP 104 CO 0.07 0.33 0.00 -1.54 -3.12 0.00 0.00 179.24 174.98 1ywt n SER 105 N -3.64 2.23 0.00 6.45 3.41 -0.81 -4.81 113.62 116.45 1ywt n SER 105 Ca -0.01 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1ywt n SER 105 Cb 0.44 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ywt n SER 105 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ywt n HIS 106 N -0.46 0.00 -0.05 7.33 8.25 -0.95 -5.04 115.22 124.30 1ywt n HIS 106 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1ywt n HIS 106 Cb 0.34 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1ywt n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ywt n LEU 107 N -0.76 1.38 -4.65 2.41 4.77 -1.06 -4.72 117.00 114.37 1ywt n LEU 107 Ca 0.00 0.22 -0.48 0.00 -0.03 0.00 0.00 56.01 55.72 1ywt n LEU 107 Cb 0.00 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1ywt n LEU 107 CO 0.00 -0.12 1.13 -0.38 -1.33 0.00 0.00 177.39 176.69 1ywt n ILE 108 N -3.90 0.03 -1.27 -0.08 5.41 0.58 -1.57 119.36 118.57 1ywt n ILE 108 Ca -0.18 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 63.53 1ywt n ILE 108 Cb 0.49 -1.35 -0.01 0.00 -0.71 0.00 0.00 39.64 38.05 1ywt n ILE 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1ywt n LYS 109 N 3.36 -1.28 -0.03 0.38 3.00 -1.26 -4.69 118.16 117.63 1ywt n LYS 109 Ca 0.18 0.19 0.12 0.00 -0.00 0.00 0.00 58.31 58.80 1ywt n LYS 109 Cb 0.26 -4.31 0.55 0.00 0.00 0.00 0.00 35.03 31.52 1ywt n LYS 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ywt n GLU 110 N -1.39 1.44 0.00 1.64 -0.58 -0.61 -4.86 120.64 116.29 1ywt n GLU 110 Ca -0.03 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1ywt n GLU 110 Cb 0.16 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1ywt n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ywt n ALA 111 N -0.16 0.00 0.00 0.62 0.00 -1.26 -4.96 120.51 114.75 1ywt n ALA 111 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ywt n ALA 111 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1ywt n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ywt n GLY 112 N 3.55 0.00 3.49 0.00 0.00 -1.26 -5.04 105.19 105.93 1ywt n GLY 112 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ywt n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywt n ASP 113 N -2.49 -0.25 -0.02 1.61 8.00 -1.26 -4.85 116.55 117.29 1ywt n ASP 113 Ca 0.00 0.98 -0.08 0.00 0.71 0.00 0.00 54.79 56.40 1ywt n ASP 113 Cb 0.28 -1.17 0.09 0.00 -0.02 0.00 0.00 41.12 40.31 1ywt n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ywt h ALA 114 N 1.09 0.81 -0.18 2.24 0.00 -1.98 -2.21 119.26 119.04 1ywt h ALA 114 Ca -0.40 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1ywt h ALA 114 Cb 1.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ywt h ALA 114 CO 0.54 0.65 0.04 0.93 0.00 0.00 0.00 179.25 181.41 1ywt h GLU 115 N 0.50 0.29 -0.51 0.00 5.08 -1.96 0.03 114.58 118.01 1ywt h GLU 115 Ca 0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ywt h GLU 115 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ywt h GLU 115 CO 0.08 0.44 0.10 0.66 -1.00 0.00 0.00 179.01 179.29 1ywt h SER 116 N 0.10 0.74 -0.33 1.42 4.64 -1.93 -0.31 113.55 117.88 1ywt h SER 116 Ca 0.06 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 1ywt h SER 116 Cb 0.28 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1ywt h SER 116 CO 0.00 0.74 -0.15 0.03 -0.87 0.00 0.00 176.83 176.58 1ywt h ARG 117 N 0.76 0.68 -0.47 4.77 3.08 -1.18 -2.37 114.38 119.65 1ywt h ARG 117 Ca 0.16 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1ywt h ARG 117 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1ywt h ARG 117 CO 0.00 0.89 -0.04 0.28 -1.07 0.00 0.00 179.97 180.03 1ywt h VAL 118 N 0.45 1.27 -0.03 2.04 2.07 -0.83 -2.03 116.25 119.18 1ywt h VAL 118 Ca 0.07 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1ywt h VAL 118 Cb 0.68 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1ywt h VAL 118 CO 0.05 0.39 -0.21 0.15 0.02 0.00 0.00 177.57 177.96 1ywt h PHE 119 N 0.70 -0.56 -0.58 1.57 3.04 -1.00 0.47 116.94 120.58 1ywt h PHE 119 Ca 0.13 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1ywt h PHE 119 Cb 0.56 0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 1ywt h PHE 119 CO 0.04 -0.30 0.23 1.88 -2.02 0.00 0.00 178.31 178.15 1ywt h TYR 120 N -0.32 0.88 -0.26 0.41 0.05 -1.39 -1.54 116.97 114.81 1ywt h TYR 120 Ca 0.07 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1ywt h TYR 120 Cb 0.41 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1ywt h TYR 120 CO -0.27 0.71 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.29 1ywt h LEU 121 N 0.80 0.45 -0.44 3.88 3.38 -1.16 -1.15 115.31 121.07 1ywt h LEU 121 Ca 0.19 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ywt h LEU 121 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ywt h LEU 121 CO -0.02 0.66 0.07 0.50 0.09 0.00 0.00 178.44 179.74 1ywt h LYS 122 N 0.42 0.73 -0.83 1.13 3.64 -0.64 -1.52 116.57 119.49 1ywt h LYS 122 Ca 0.07 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ywt h LYS 122 Cb 0.57 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1ywt h LYS 122 CO 0.04 0.76 0.54 1.98 -2.27 0.00 0.00 179.45 180.50 1ywt h MET 123 N 0.59 0.98 -0.68 1.90 4.05 -0.84 0.13 114.93 121.06 1ywt h MET 123 Ca 0.13 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1ywt h MET 123 Cb 0.38 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1ywt h MET 123 CO 0.01 0.65 0.14 -0.22 0.23 0.00 0.00 176.91 177.72 1ywt h LYS 124 N 1.01 1.10 -0.24 0.39 3.64 -0.83 -2.00 116.57 119.63 1ywt h LYS 124 Ca 0.33 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1ywt h LYS 124 Cb 0.07 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1ywt h LYS 124 CO -0.10 0.98 0.08 0.78 -2.27 0.00 0.00 179.45 178.92 1ywt h GLY 125 N 1.06 0.40 0.86 5.01 0.00 -0.07 -2.09 103.07 108.24 1ywt h GLY 125 Ca 0.21 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1ywt h GLY 125 CO 0.01 0.22 0.25 -0.55 0.00 0.00 0.00 176.54 176.47 1ywt h ASP 126 N 0.23 0.40 0.59 0.19 3.32 -0.64 0.12 116.42 120.63 1ywt h ASP 126 Ca 0.08 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1ywt h ASP 126 Cb 0.22 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ywt h ASP 126 CO -0.00 0.29 -0.58 1.88 -1.72 0.00 0.00 179.24 179.10 1ywt h TYR 127 N 0.51 0.00 -0.19 4.55 -1.99 -1.32 -0.12 116.97 118.41 1ywt h TYR 127 Ca 0.18 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.75 1ywt h TYR 127 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1ywt h TYR 127 CO -0.08 0.58 -0.55 1.88 -0.00 0.00 0.00 178.16 179.99 1ywt h TYR 128 N 0.00 0.73 -0.81 4.88 0.05 -1.14 -1.81 116.97 118.87 1ywt h TYR 128 Ca -0.01 -0.26 0.03 0.00 0.05 0.00 0.00 58.73 58.54 1ywt h TYR 128 Cb 1.03 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.59 1ywt h TYR 128 CO 0.00 1.00 0.52 -0.09 -1.05 0.00 0.00 178.16 178.54 1ywt h ARG 129 N 0.45 0.98 -0.47 4.88 2.43 -0.12 0.18 114.38 122.72 1ywt h ARG 129 Ca 0.01 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1ywt h ARG 129 Cb 1.10 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1ywt h ARG 129 CO 0.11 0.65 0.01 1.88 -1.51 0.00 0.00 179.97 181.10 1ywt h TYR 130 N 1.01 0.90 -0.56 2.20 0.05 -0.90 -1.35 116.97 118.33 1ywt h TYR 130 Ca 0.32 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.96 1ywt h TYR 130 Cb -0.00 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 1ywt h TYR 130 CO -0.03 0.86 0.37 -0.07 -1.05 0.00 0.00 178.16 178.24 1ywt h LEU 131 N 0.69 0.61 -1.06 3.88 3.38 -0.70 -1.48 115.31 120.62 1ywt h LEU 131 Ca 0.13 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ywt h LEU 131 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ywt h LEU 131 CO 0.02 0.43 -0.40 0.00 0.09 0.00 0.00 178.44 178.59 1ywt h ALA 132 N 1.66 1.21 0.00 1.53 0.00 0.08 -2.68 119.26 121.06 1ywt h ALA 132 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ywt h ALA 132 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ywt h ALA 132 CO -0.05 0.55 -0.03 0.93 0.00 0.00 0.00 179.25 180.65 1ywt h GLU 133 N 0.11 0.00 -0.07 0.00 5.08 -0.18 -2.93 114.58 116.59 1ywt h GLU 133 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ywt h GLU 133 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ywt h GLU 133 CO 0.06 0.03 0.00 1.33 -1.00 0.00 0.00 179.01 179.43 1ywt n VAL 134 N -4.42 0.15 -2.60 3.13 0.24 -1.13 -5.03 118.33 108.66 1ywt n VAL 134 Ca -0.03 -0.57 -0.26 0.00 -2.04 0.00 0.00 64.34 61.43 1ywt n VAL 134 Cb 0.11 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 33.64 1ywt n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ywt s ALA 135 N -1.02 3.41 0.18 2.33 0.00 -1.02 -5.11 121.76 120.53 1ywt s ALA 135 Ca 0.16 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.55 1ywt s ALA 135 Cb 0.11 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1ywt s ALA 135 CO 0.16 -0.52 -0.16 0.95 0.00 0.00 0.00 175.76 176.19 1ywt s THR 136 N -2.80 1.76 0.00 0.00 -4.23 -1.26 -4.78 115.64 104.33 1ywt s THR 136 Ca 0.50 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1ywt s THR 136 Cb -0.10 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1ywt s THR 136 CO 0.44 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1ywt n GLY 137 N -0.02 0.00 5.00 3.99 0.00 -1.26 -2.54 105.19 110.35 1ywt n GLY 137 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ywt n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywt n ASP 138 N 0.00 0.00 0.09 1.61 8.00 -1.26 -4.05 116.55 120.94 1ywt n ASP 138 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1ywt n ASP 138 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.50 1ywt n ASP 138 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ywt h ASP 139 N 0.00 0.29 -0.15 -2.24 5.19 -1.93 -1.23 116.42 116.35 1ywt h ASP 139 Ca 0.00 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1ywt h ASP 139 Cb 0.00 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1ywt h ASP 139 CO 0.00 0.37 -0.03 0.50 -3.12 0.00 0.00 179.24 176.96 1ywt h LYS 140 N 0.31 0.30 -0.96 3.56 3.64 -1.63 -1.86 116.57 119.93 1ywt h LYS 140 Ca 0.07 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1ywt h LYS 140 Cb 0.26 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1ywt h LYS 140 CO 0.01 0.57 0.61 0.87 -2.27 0.00 0.00 179.45 179.24 1ywt h LYS 141 N 0.00 1.08 -0.18 1.90 1.57 -1.73 0.38 116.57 119.58 1ywt h LYS 141 Ca 0.04 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1ywt h LYS 141 Cb 0.46 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1ywt h LYS 141 CO 0.01 0.71 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.49 1ywt h ARG 142 N 1.11 0.34 -0.54 3.15 2.43 -1.16 -2.10 114.38 117.61 1ywt h ARG 142 Ca 0.41 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1ywt h ARG 142 Cb 0.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1ywt h ARG 142 CO -0.17 0.58 0.24 0.82 -1.51 0.00 0.00 179.97 179.93 1ywt h ILE 143 N 0.07 1.21 -0.88 1.20 2.04 -0.82 -1.83 117.51 118.50 1ywt h ILE 143 Ca 0.05 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ywt h ILE 143 Cb 0.44 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1ywt h ILE 143 CO 0.01 0.24 0.58 0.40 0.00 0.00 0.00 178.15 179.39 1ywt h ILE 144 N 0.73 1.22 -0.01 -0.67 2.04 -0.25 -1.16 117.51 119.40 1ywt h ILE 144 Ca 0.18 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 1ywt h ILE 144 Cb 0.16 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1ywt h ILE 144 CO -0.02 0.22 -0.62 0.44 0.00 0.00 0.00 178.15 178.17 1ywt h ASP 145 N 1.19 0.04 1.59 1.72 5.19 -1.11 -1.89 116.42 123.14 1ywt h ASP 145 Ca 0.33 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.68 1ywt h ASP 145 Cb -0.12 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1ywt h ASP 145 CO -0.08 0.65 -0.18 0.77 -3.12 0.00 0.00 179.24 177.28 1ywt h SER 146 N 0.03 0.00 -0.08 6.45 4.64 -0.85 -2.57 113.55 121.16 1ywt h SER 146 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1ywt h SER 146 Cb 1.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1ywt h SER 146 CO 0.08 0.18 -0.47 0.00 -0.87 0.00 0.00 176.83 175.76 1ywt h ALA 147 N 1.82 0.16 -0.63 5.18 0.00 -0.92 -3.12 119.26 121.76 1ywt h ALA 147 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1ywt h ALA 147 Cb 1.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ywt h ALA 147 CO 0.02 0.32 0.05 -0.09 0.00 0.00 0.00 179.25 179.56 1ywt h ARG 148 N 0.01 1.09 -0.02 0.00 2.43 -1.32 -1.83 114.38 114.74 1ywt h ARG 148 Ca -0.04 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 1ywt h ARG 148 Cb 1.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1ywt h ARG 148 CO 0.10 1.03 -0.32 0.66 -1.51 0.00 0.00 179.97 179.92 1ywt h SER 149 N 1.00 0.03 -0.12 -3.80 4.64 -1.55 0.27 113.55 114.02 1ywt h SER 149 Ca 0.19 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1ywt h SER 149 Cb 0.50 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ywt h SER 149 CO 0.02 0.36 -0.31 0.00 -0.87 0.00 0.00 176.83 176.03 1ywt h ALA 150 N 1.65 0.20 -0.30 5.18 0.00 -1.43 -1.59 119.26 122.96 1ywt h ALA 150 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1ywt h ALA 150 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ywt h ALA 150 CO 0.04 0.24 0.08 1.88 0.00 0.00 0.00 179.25 181.49 1ywt h TYR 151 N 0.01 0.49 -0.74 0.00 0.05 -0.95 -1.76 116.97 114.07 1ywt h TYR 151 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1ywt h TYR 151 Cb 0.92 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.48 1ywt h TYR 151 CO 0.11 0.52 0.46 0.37 -1.05 0.00 0.00 178.16 178.57 1ywt h GLN 152 N 0.32 0.99 -0.24 4.88 5.75 -0.52 0.22 115.11 126.50 1ywt h GLN 152 Ca 0.09 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1ywt h GLN 152 Cb 0.27 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1ywt h GLN 152 CO -0.00 0.68 -0.19 1.49 -2.65 0.00 0.00 178.83 178.16 1ywt h GLU 153 N 1.01 0.43 -0.18 1.69 4.81 -1.15 0.97 114.58 122.14 1ywt h GLU 153 Ca 0.27 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1ywt h GLU 153 Cb -0.07 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1ywt h GLU 153 CO -0.05 0.60 -0.51 0.00 -0.73 0.00 0.00 179.01 178.31 1ywt h ALA 154 N 1.42 0.77 -0.35 2.92 0.00 -0.67 -2.76 119.26 120.60 1ywt h ALA 154 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1ywt h ALA 154 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ywt h ALA 154 CO 0.04 0.68 -0.13 1.98 0.00 0.00 0.00 179.25 181.81 1ywt h MET 155 N 0.40 0.70 -0.81 0.00 1.85 -0.02 -1.67 114.93 115.37 1ywt h MET 155 Ca 0.01 -0.29 -0.00 0.00 -0.61 0.00 0.00 59.70 58.81 1ywt h MET 155 Cb 1.04 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.00 1ywt h MET 155 CO 0.09 0.89 0.49 -0.44 -0.40 0.00 0.00 176.91 177.54 1ywt h ASP 156 N 0.48 0.98 -0.01 1.39 3.45 -0.79 -1.86 116.42 120.05 1ywt h ASP 156 Ca 0.08 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.34 1ywt h ASP 156 Cb 0.66 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1ywt h ASP 156 CO 0.04 0.75 -0.42 0.40 -1.57 0.00 0.00 179.24 178.44 1ywt h ILE 157 N 1.12 1.30 -0.16 0.35 2.04 -1.41 -3.12 117.51 117.63 1ywt h ILE 157 Ca 0.29 -1.60 -0.18 0.00 1.00 0.00 0.00 64.86 64.38 1ywt h ILE 157 Cb -0.04 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1ywt h ILE 157 CO -0.05 0.50 -0.63 0.77 0.00 0.00 0.00 178.15 178.74 1ywt h SER 158 N 0.44 0.64 1.07 1.72 4.64 -0.93 -0.88 113.55 120.24 1ywt h SER 158 Ca 0.03 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ywt h SER 158 Cb 0.92 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1ywt h SER 158 CO 0.08 1.11 0.00 0.11 -0.87 0.00 0.00 176.83 177.26 1ywt h LYS 159 N 0.41 0.00 0.00 4.77 1.57 -1.36 0.15 116.57 122.12 1ywt h LYS 159 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1ywt h LYS 159 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1ywt h LYS 159 CO 0.12 0.00 -1.96 1.17 -0.57 0.00 0.00 179.45 178.21 1ywt n LYS 160 N -2.67 0.92 -0.00 3.15 0.00 -1.17 -4.66 118.16 113.72 1ywt n LYS 160 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 58.31 58.30 1ywt n LYS 160 Cb 0.31 -1.42 -0.09 0.00 0.00 0.00 0.00 35.03 33.84 1ywt n LYS 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ywt n GLU 161 N -2.35 1.01 -4.43 1.64 -0.58 -0.34 -5.04 120.64 110.54 1ywt n GLU 161 Ca -0.15 -0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.29 1ywt n GLU 161 Cb 0.74 -1.23 -0.13 0.00 -0.57 0.00 0.00 31.44 30.25 1ywt n GLU 161 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1ywt s MET 162 N -2.66 1.07 0.65 3.49 -1.94 0.53 -5.03 119.30 115.42 1ywt s MET 162 Ca -0.02 -0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 52.97 1ywt s MET 162 Cb 0.08 -1.12 -0.00 0.00 2.01 0.00 0.00 34.83 35.79 1ywt s MET 162 CO 0.49 0.28 1.11 -1.25 -0.01 0.00 0.00 175.02 175.64 1ywt s PRO 163 N -1.20 2.82 0.00 2.03 0.04 -1.26 -4.63 135.00 132.80 1ywt s PRO 163 Ca 0.03 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1ywt s PRO 163 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ywt s PRO 163 CO 0.02 -1.24 0.61 -2.30 0.04 0.00 0.00 177.00 174.13 1ywt n PRO 164 N -2.36 0.00 0.00 0.56 -0.02 -1.26 -1.87 135.00 130.05 1ywt n PRO 164 Ca 0.10 0.16 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 1ywt n PRO 164 Cb 0.52 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1ywt n PRO 164 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ywt n THR 165 N -1.11 0.00 -1.69 3.45 -2.24 -1.26 -4.36 114.28 107.07 1ywt n THR 165 Ca 0.00 -0.46 -0.44 0.00 -2.27 0.00 0.00 64.05 60.88 1ywt n THR 165 Cb 0.02 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 1ywt n THR 165 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ywt n ASN 166 N -0.07 3.79 -0.02 3.42 2.85 -0.78 -4.73 115.26 119.71 1ywt n ASN 166 Ca 0.03 1.01 0.17 0.00 -0.11 0.00 0.00 54.58 55.68 1ywt n ASN 166 Cb 0.13 -1.50 0.63 0.00 1.24 0.00 0.00 39.78 40.28 1ywt n ASN 166 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ywt h PRO 167 N 8.09 0.13 -0.08 1.20 0.13 -1.91 -2.14 132.00 137.42 1ywt h PRO 167 Ca -0.46 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1ywt h PRO 167 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ywt h PRO 167 CO 0.94 0.09 -0.09 0.82 -0.23 0.00 0.00 178.00 179.53 1ywt h ILE 168 N 0.13 1.37 -0.76 -3.56 2.04 -1.98 0.08 117.51 114.82 1ywt h ILE 168 Ca 0.26 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.94 1ywt h ILE 168 Cb 0.84 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 1ywt h ILE 168 CO -0.03 0.35 0.43 -0.09 0.00 0.00 0.00 178.15 178.81 1ywt h ARG 169 N -0.22 0.75 -0.41 2.37 2.43 -1.82 0.14 114.38 117.62 1ywt h ARG 169 Ca 0.01 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1ywt h ARG 169 Cb 0.60 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1ywt h ARG 169 CO 0.02 0.50 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.74 1ywt h LEU 170 N 0.77 0.86 -0.59 3.80 3.38 -1.36 0.37 115.31 122.54 1ywt h LEU 170 Ca 0.35 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ywt h LEU 170 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ywt h LEU 170 CO -0.21 1.06 0.34 1.23 0.09 0.00 0.00 178.44 180.95 1ywt h GLY 171 N 0.66 0.88 0.95 0.83 0.00 -0.41 0.31 103.07 106.29 1ywt h GLY 171 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ywt h GLY 171 CO 0.05 0.37 0.01 -2.00 0.00 0.00 0.00 176.54 174.97 1ywt h LEU 172 N 0.80 0.02 -1.09 3.11 5.85 -0.56 -1.44 115.31 121.99 1ywt h LEU 172 Ca 0.21 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ywt h LEU 172 Cb 0.02 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ywt h LEU 172 CO -0.04 0.07 0.23 0.00 -0.34 0.00 0.00 178.44 178.36 1ywt h ALA 173 N 0.95 1.28 0.74 1.25 0.00 -0.67 0.52 119.26 123.33 1ywt h ALA 173 Ca 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ywt h ALA 173 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ywt h ALA 173 CO -0.00 0.53 -0.40 1.25 0.00 0.00 0.00 179.25 180.63 1ywt h LEU 174 N 0.86 -0.98 -1.46 0.00 5.85 -0.10 -1.91 115.31 117.56 1ywt h LEU 174 Ca 0.20 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ywt h LEU 174 Cb 0.18 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ywt h LEU 174 CO -0.02 -0.65 0.20 0.78 -0.34 0.00 0.00 178.44 178.41 1ywt h ASN 175 N -1.05 0.50 0.12 1.25 4.21 -1.12 -1.37 115.58 118.11 1ywt h ASN 175 Ca -0.10 -0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.31 1ywt h ASN 175 Cb 0.83 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1ywt h ASN 175 CO 0.13 0.43 -0.23 0.15 -1.29 0.00 0.00 177.43 176.62 1ywt h PHE 176 N 0.56 0.22 -0.09 1.19 3.57 -0.76 -1.23 116.94 120.40 1ywt h PHE 176 Ca 0.14 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 1ywt h PHE 176 Cb 0.06 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1ywt h PHE 176 CO 0.00 0.42 -0.72 0.66 -2.23 0.00 0.00 178.31 176.45 1ywt h SER 177 N 0.19 0.50 -0.72 0.41 4.64 -0.44 -2.07 113.55 116.06 1ywt h SER 177 Ca 0.03 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1ywt h SER 177 Cb 0.52 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1ywt h SER 177 CO 0.04 1.06 0.37 0.58 -0.87 0.00 0.00 176.83 178.01 1ywt h VAL 178 N 0.29 1.23 0.04 0.95 2.07 -0.94 -1.60 116.25 118.29 1ywt h VAL 178 Ca -0.03 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1ywt h VAL 178 Cb 1.29 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ywt h VAL 178 CO 0.12 0.27 -0.09 0.15 0.02 0.00 0.00 177.57 178.04 1ywt h PHE 179 N 1.04 -0.22 -0.34 1.57 3.57 -0.91 0.17 116.94 121.81 1ywt h PHE 179 Ca 0.26 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1ywt h PHE 179 Cb 0.08 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1ywt h PHE 179 CO 0.01 -0.14 0.11 0.45 -2.23 0.00 0.00 178.31 176.52 1ywt h HIS 180 N -0.17 0.20 0.44 0.41 3.86 -0.87 -0.20 115.15 118.81 1ywt h HIS 180 Ca 0.02 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1ywt h HIS 180 Cb 0.19 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1ywt h HIS 180 CO -0.13 0.08 -0.21 -0.92 0.86 0.00 0.00 177.93 177.61 1ywt h TYR 181 N 0.25 -0.55 0.00 2.45 3.20 -1.16 0.60 116.97 121.77 1ywt h TYR 181 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ywt h TYR 181 Cb 0.14 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1ywt h TYR 181 CO -0.15 -0.26 -0.40 0.93 -1.64 0.00 0.00 178.16 176.65 1ywt h GLU 182 N -1.07 0.00 0.00 1.82 5.08 -1.04 -3.35 114.58 116.02 1ywt h GLU 182 Ca -0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1ywt h GLU 182 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ywt h GLU 182 CO 0.10 0.00 -1.10 -0.89 -1.00 0.00 0.00 179.01 176.12 1ywt n ILE 183 N -2.70 0.74 1.95 3.13 2.08 -0.23 -4.70 119.36 119.62 1ywt n ILE 183 Ca 0.03 0.03 0.13 0.00 0.56 0.00 0.00 62.75 63.49 1ywt n ILE 183 Cb 0.51 -1.68 0.73 0.00 -0.75 0.00 0.00 39.64 38.45 1ywt n ILE 183 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ywt n ALA 184 N -3.51 2.64 -3.67 -1.39 0.00 -0.38 -4.92 120.51 109.28 1ywt n ALA 184 Ca -0.13 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1ywt n ALA 184 Cb 0.47 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.54 1ywt n ALA 184 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ywt n ASN 185 N -0.81 -4.54 -3.77 0.00 3.02 -1.04 -4.95 115.26 103.18 1ywt n ASN 185 Ca 0.19 -0.62 -0.28 0.00 -0.03 0.00 0.00 54.58 53.84 1ywt n ASN 185 Cb 0.11 -3.66 -0.12 0.00 -0.61 0.00 0.00 39.78 35.50 1ywt n ASN 185 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ywt s SER 186 N -3.05 3.91 0.31 6.41 1.04 0.18 -4.95 113.70 117.54 1ywt s SER 186 Ca 0.56 -3.53 0.01 0.00 0.48 0.00 0.00 55.95 53.46 1ywt s SER 186 Cb -0.28 -1.31 0.55 0.00 0.10 0.00 0.00 66.02 65.09 1ywt s SER 186 CO 0.68 -0.13 1.93 1.55 0.98 0.00 0.00 173.24 178.26 1ywt h PRO 187 N 5.61 0.96 0.25 4.02 0.13 -1.83 -2.56 132.00 138.58 1ywt h PRO 187 Ca 0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ywt h PRO 187 Cb 0.81 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 1ywt h PRO 187 CO 0.62 0.64 -0.52 0.93 -0.23 0.00 0.00 178.00 179.44 1ywt h GLU 188 N 0.99 -0.80 -0.86 0.86 4.39 -1.94 -1.51 114.58 115.72 1ywt h GLU 188 Ca 0.35 0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.12 1ywt h GLU 188 Cb 0.13 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1ywt h GLU 188 CO -0.12 -0.53 0.57 1.49 -1.16 0.00 0.00 179.01 179.25 1ywt h GLU 189 N -0.83 1.11 -0.11 2.33 4.81 -1.91 -2.25 114.58 117.73 1ywt h GLU 189 Ca -0.03 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ywt h GLU 189 Cb 0.79 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ywt h GLU 189 CO -0.21 0.73 0.02 0.00 -0.73 0.00 0.00 179.01 178.83 1ywt h ALA 190 N 1.33 0.11 -0.25 2.92 0.00 -1.25 -1.99 119.26 120.12 1ywt h ALA 190 Ca 0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ywt h ALA 190 Cb -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ywt h ALA 190 CO -0.08 -0.43 0.15 0.82 0.00 0.00 0.00 179.25 179.71 1ywt h ILE 191 N 0.07 1.10 -0.60 0.00 2.04 -1.07 -1.23 117.51 117.82 1ywt h ILE 191 Ca 0.05 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1ywt h ILE 191 Cb 0.04 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1ywt h ILE 191 CO -0.06 0.09 0.07 0.77 0.00 0.00 0.00 178.15 179.02 1ywt h SER 192 N 0.31 0.96 -0.44 1.72 4.64 -1.33 -0.17 113.55 119.24 1ywt h SER 192 Ca 0.09 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 1ywt h SER 192 Cb 0.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1ywt h SER 192 CO -0.02 0.97 -0.11 0.25 -0.87 0.00 0.00 176.83 177.06 1ywt h LEU 193 N 0.93 0.85 -0.73 5.97 5.85 -1.25 0.25 115.31 127.18 1ywt h LEU 193 Ca 0.18 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1ywt h LEU 193 Cb 0.45 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1ywt h LEU 193 CO 0.02 1.02 0.20 0.00 -0.34 0.00 0.00 178.44 179.33 1ywt h ALA 194 N 0.86 0.96 -0.18 1.25 0.00 -1.07 0.15 119.26 121.23 1ywt h ALA 194 Ca 0.11 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1ywt h ALA 194 Cb 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ywt h ALA 194 CO 0.04 0.67 -0.50 -0.22 0.00 0.00 0.00 179.25 179.24 1ywt h LYS 195 N 1.10 0.67 -0.14 0.00 3.64 -0.90 -1.92 116.57 119.01 1ywt h LYS 195 Ca 0.23 -0.47 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1ywt h LYS 195 Cb 0.34 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ywt h LYS 195 CO -0.00 1.09 -0.33 1.15 -2.27 0.00 0.00 179.45 179.09 1ywt h THR 196 N 0.35 1.27 -0.11 1.00 2.02 -0.40 -1.15 112.91 115.90 1ywt h THR 196 Ca -0.01 -1.32 -0.21 0.00 0.77 0.00 0.00 66.41 65.64 1ywt h THR 196 Cb 1.12 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1ywt h THR 196 CO 0.11 0.40 -0.77 0.74 0.37 0.00 0.00 175.52 176.37 1ywt h THR 197 N 0.24 1.33 0.13 3.16 2.02 -0.68 -2.84 112.91 116.27 1ywt h THR 197 Ca 0.03 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 1ywt h THR 197 Cb 0.70 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1ywt h THR 197 CO 0.05 0.64 -0.06 0.15 0.37 0.00 0.00 175.52 176.67 1ywt h PHE 198 N 0.40 -0.17 0.15 3.16 3.57 -1.09 -2.37 116.94 120.59 1ywt h PHE 198 Ca -0.05 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ywt h PHE 198 Cb 1.38 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1ywt h PHE 198 CO 0.07 0.17 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.71 1ywt h ASP 199 N -0.52 -0.46 0.14 0.41 3.32 -1.30 0.12 116.42 118.13 1ywt h ASP 199 Ca -0.02 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ywt h ASP 199 Cb 0.41 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ywt h ASP 199 CO 0.03 -0.26 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.96 1ywt h GLU 200 N -0.36 0.00 0.03 3.56 5.08 -1.59 0.23 114.58 121.53 1ywt h GLU 200 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ywt h GLU 200 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ywt h GLU 200 CO -0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 179.01 177.94 1ywt h ALA 201 N 1.99 -0.04 -0.06 3.43 0.00 -0.71 -3.34 119.26 120.53 1ywt h ALA 201 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ywt h ALA 201 Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1ywt h ALA 201 CO 0.00 -0.08 -0.20 0.52 0.00 0.00 0.00 179.25 179.48 1ywt h MET 202 N -0.92 -0.28 0.00 0.00 2.86 -0.08 -1.38 114.93 115.13 1ywt h MET 202 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ywt h MET 202 Cb 0.70 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1ywt h MET 202 CO 0.01 -0.19 0.00 0.00 1.06 0.00 0.00 176.91 177.79 1ywt n ALA 203 N -2.62 0.94 0.00 6.32 0.00 0.00 -0.53 120.51 124.62 1ywt n ALA 203 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ywt n ALA 203 Cb 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1ywt n ALA 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ywt n ASP 204 N -0.77 0.22 -0.44 0.00 8.00 -0.71 -4.85 116.55 118.00 1ywt n ASP 204 Ca 0.00 -0.08 0.41 0.00 0.71 0.00 0.00 54.79 55.82 1ywt n ASP 204 Cb 0.00 0.21 0.69 0.00 -0.02 0.00 0.00 41.12 42.00 1ywt n ASP 204 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ywt h LEU 205 N 0.00 0.00 -9.30 0.64 5.85 0.23 -3.40 115.31 109.33 1ywt h LEU 205 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 1ywt h LEU 205 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ywt h LEU 205 CO 0.00 0.00 1.08 -1.38 -0.34 0.00 0.00 178.44 177.80 1ywt s HIS 206 N -4.73 2.00 -0.84 1.25 -3.43 -1.26 -2.75 115.29 105.53 1ywt s HIS 206 Ca -0.04 0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.38 1ywt s HIS 206 Cb 0.22 -3.94 -0.01 0.00 -1.43 0.00 0.00 32.58 27.42 1ywt s HIS 206 CO 0.73 -3.95 0.71 2.41 -2.00 0.00 0.00 174.74 172.63 1ywt n THR 207 N 5.37 -4.65 0.81 -5.38 -1.04 -1.26 -4.91 114.28 103.22 1ywt n THR 207 Ca 0.17 -0.44 0.08 0.00 -2.04 0.00 0.00 64.05 61.82 1ywt n THR 207 Cb 0.42 -4.46 0.25 0.00 -1.82 0.00 0.00 70.33 64.72 1ywt n THR 207 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ywt n LEU 208 N -3.17 2.17 -1.87 -4.42 0.00 -1.11 -5.03 117.00 103.57 1ywt n LEU 208 Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 56.01 54.80 1ywt n LEU 208 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1ywt n LEU 208 CO 0.43 0.51 -0.46 -1.54 0.00 0.00 0.00 177.39 176.33 1ywt n SER 209 N 0.67 -9.00 0.00 1.96 3.41 -1.26 -4.46 113.62 104.94 1ywt n SER 209 Ca 0.15 1.36 0.00 0.00 -0.26 0.00 0.00 58.87 60.12 1ywt n SER 209 Cb 0.37 -5.06 0.00 0.00 -0.26 0.00 0.00 64.21 59.26 1ywt n SER 209 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ywt n GLU 210 N 0.24 0.00 0.02 4.33 4.71 -1.26 -3.08 120.64 125.60 1ywt n GLU 210 Ca 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 57.16 57.15 1ywt n GLU 210 Cb 0.00 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1ywt n GLU 210 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1ywt h ASP 211 N 0.00 -0.03 -0.36 1.62 3.58 -2.03 -3.35 116.42 115.84 1ywt h ASP 211 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ywt h ASP 211 Cb 0.00 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1ywt h ASP 211 CO 0.00 -0.02 0.00 -1.54 -2.88 0.00 0.00 179.24 174.80 1ywt n SER 212 N -2.11 4.03 0.07 2.28 3.41 -1.21 -4.75 113.62 115.34 1ywt n SER 212 Ca -0.00 -2.74 -0.15 0.00 -0.26 0.00 0.00 58.87 55.72 1ywt n SER 212 Cb 0.02 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 1ywt n SER 212 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1ywt h TYR 213 N 2.38 -1.45 -0.72 7.33 3.20 -1.68 -2.02 116.97 124.01 1ywt h TYR 213 Ca 0.00 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.05 1ywt h TYR 213 Cb 1.37 0.63 -0.09 0.00 1.54 0.00 0.00 36.73 40.17 1ywt h TYR 213 CO 0.55 -0.54 0.25 -0.22 -1.64 0.00 0.00 178.16 176.56 1ywt h LYS 214 N -0.66 0.38 0.66 1.82 1.63 -1.85 -1.30 116.57 117.25 1ywt h LYS 214 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1ywt h LYS 214 Cb 0.69 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1ywt h LYS 214 CO -0.31 0.25 -0.32 -0.44 -3.45 0.00 0.00 179.45 175.19 1ywt h ASP 215 N 0.39 -0.75 -0.61 4.20 3.32 -1.86 -2.50 116.42 118.59 1ywt h ASP 215 Ca 0.39 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.50 1ywt h ASP 215 Cb 0.60 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1ywt h ASP 215 CO -0.41 -0.39 0.41 0.77 -1.72 0.00 0.00 179.24 177.89 1ywt h SER 216 N -1.15 0.51 -0.60 6.45 4.64 -1.29 -1.71 113.55 120.40 1ywt h SER 216 Ca -0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1ywt h SER 216 Cb 0.71 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1ywt h SER 216 CO 0.15 0.33 0.33 0.74 -0.87 0.00 0.00 176.83 177.51 1ywt h THR 217 N 0.58 1.19 -0.33 2.95 2.02 -1.23 -0.34 112.91 117.76 1ywt h THR 217 Ca 0.27 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 1ywt h THR 217 Cb 0.31 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1ywt h THR 217 CO -0.08 0.21 -0.28 0.25 0.37 0.00 0.00 175.52 175.99 1ywt h LEU 218 N 0.81 0.69 -0.51 2.58 5.85 -0.87 -2.48 115.31 121.38 1ywt h LEU 218 Ca 0.21 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 1ywt h LEU 218 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ywt h LEU 218 CO -0.03 0.94 -0.53 0.40 -0.34 0.00 0.00 178.44 178.87 1ywt h ILE 219 N 0.58 1.31 -0.62 4.05 2.04 -1.17 -2.00 117.51 121.71 1ywt h ILE 219 Ca 0.07 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 1ywt h ILE 219 Cb 0.77 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1ywt h ILE 219 CO 0.06 0.55 0.29 0.24 0.00 0.00 0.00 178.15 179.29 1ywt h MET 220 N 0.46 0.87 -0.41 2.37 2.86 -0.93 0.37 114.93 120.51 1ywt h MET 220 Ca 0.01 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 1ywt h MET 220 Cb 1.08 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1ywt h MET 220 CO 0.10 0.68 -0.33 0.37 1.06 0.00 0.00 176.91 178.80 1ywt h GLN 221 N 0.87 0.94 -0.77 1.72 5.75 -1.22 -2.60 115.11 119.79 1ywt h GLN 221 Ca 0.21 -0.46 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1ywt h GLN 221 Cb 0.10 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1ywt h GLN 221 CO -0.03 1.12 0.47 -0.07 -2.65 0.00 0.00 178.83 177.67 1ywt h LEU 222 N 0.78 0.91 -0.58 -2.39 3.38 -0.60 -0.45 115.31 116.37 1ywt h LEU 222 Ca 0.08 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ywt h LEU 222 Cb 0.91 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ywt h LEU 222 CO 0.08 0.69 0.38 -0.07 0.09 0.00 0.00 178.44 179.61 1ywt h LEU 223 N 1.06 0.64 -0.10 1.67 3.38 -0.74 -1.78 115.31 119.43 1ywt h LEU 223 Ca 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1ywt h LEU 223 Cb -0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ywt h LEU 223 CO -0.05 0.46 0.04 -0.09 0.09 0.00 0.00 178.44 178.88 1ywt h ARG 224 N 0.76 0.16 -0.68 1.13 2.43 -0.97 -0.87 114.38 116.33 1ywt h ARG 224 Ca 0.22 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 1ywt h ARG 224 Cb -0.05 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 1ywt h ARG 224 CO -0.06 0.29 0.25 -0.44 -1.51 0.00 0.00 179.97 178.49 1ywt h ASP 225 N -0.01 0.22 -0.19 -3.80 3.32 -0.90 -0.22 116.42 114.84 1ywt h ASP 225 Ca 0.03 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ywt h ASP 225 Cb 0.20 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1ywt h ASP 225 CO -0.00 0.10 0.10 0.78 -1.72 0.00 0.00 179.24 178.50 1ywt h ASN 226 N 0.41 0.24 -0.88 6.45 2.35 -1.08 -0.89 115.58 122.18 1ywt h ASN 226 Ca 0.36 -0.10 0.13 0.00 -0.55 0.00 0.00 56.30 56.13 1ywt h ASN 226 Cb 0.50 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.72 1ywt h ASN 226 CO -0.37 0.27 0.50 -0.07 -1.65 0.00 0.00 177.43 176.11 1ywt h LEU 227 N 0.19 0.67 0.07 1.61 3.38 -0.15 0.27 115.31 121.35 1ywt h LEU 227 Ca 0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ywt h LEU 227 Cb 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ywt h LEU 227 CO -0.01 0.33 -0.03 0.74 0.09 0.00 0.00 178.44 179.56 1ywt h THR 228 N 0.76 1.11 -0.66 0.22 2.02 -0.74 -2.03 112.91 113.58 1ywt h THR 228 Ca 0.45 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ywt h THR 228 Cb 0.53 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1ywt h THR 228 CO -0.30 0.15 0.38 0.25 0.37 0.00 0.00 175.52 176.37 1ywt h LEU 229 N -0.37 0.79 -0.72 2.58 5.85 -0.61 -2.88 115.31 119.95 1ywt h LEU 229 Ca -0.01 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 1ywt h LEU 229 Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ywt h LEU 229 CO 0.02 0.62 -0.62 -0.50 -0.34 0.00 0.00 178.44 177.61 1ywt h TRP 230 N 0.91 0.00 -0.02 1.25 6.55 -0.41 -3.51 115.95 120.72 1ywt h TRP 230 Ca 0.24 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1ywt h TRP 230 Cb -0.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1ywt h TRP 230 CO 0.00 0.62 0.00 2.41 -1.05 0.00 0.00 178.44 180.43