#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ish n ARG 3 N 0.00 2.25 -3.82 -0.99 3.00 -1.26 -4.55 116.66 111.29 1ish n ARG 3 Ca 0.00 -2.39 -0.10 0.00 -0.01 0.00 0.00 57.85 55.36 1ish n ARG 3 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 32.46 30.45 1ish n ARG 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ish s ALA 4 N -2.64 -0.50 0.18 7.54 0.00 -1.03 -4.83 121.76 120.48 1ish s ALA 4 Ca 0.48 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.62 1ish s ALA 4 Cb 0.37 0.80 -0.16 0.00 0.00 0.00 0.00 23.12 24.13 1ish s ALA 4 CO -0.07 -0.69 1.12 0.39 0.00 0.00 0.00 175.76 176.52 1ish n GLU 5 N -0.25 1.12 -1.82 0.00 -0.58 -1.26 -1.52 120.64 116.33 1ish n GLU 5 Ca -0.10 0.40 -0.30 0.00 -0.42 0.00 0.00 57.16 56.74 1ish n GLU 5 Cb 0.63 -1.87 0.21 0.00 -0.57 0.00 0.00 31.44 29.84 1ish n GLU 5 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ish s GLY 6 N -0.09 1.78 0.30 0.62 0.00 -1.26 -2.89 107.32 105.78 1ish s GLY 6 Ca 0.72 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1ish s GLY 6 CO 0.53 -0.43 1.09 2.41 0.00 0.00 0.00 173.10 176.70 1ish n THR 7 N -3.97 1.93 -2.24 0.90 -1.04 0.54 -4.57 114.28 105.83 1ish n THR 7 Ca 0.16 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 1ish n THR 7 Cb 0.59 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1ish n THR 7 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ish s SER 8 N -0.46 6.90 0.31 8.00 0.01 0.13 -4.67 113.70 123.91 1ish s SER 8 Ca 0.59 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.83 1ish s SER 8 Cb -0.67 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 62.84 1ish s SER 8 CO 0.60 -0.58 1.47 0.00 0.41 0.00 0.00 173.24 175.14 1ish n ALA 9 N 3.56 1.93 -3.69 1.44 0.00 -1.26 -2.29 120.51 120.20 1ish n ALA 9 Ca 0.09 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 1ish n ALA 9 Cb 0.43 -2.37 0.06 0.00 0.00 0.00 0.00 19.45 17.58 1ish n ALA 9 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ish n HIS 10 N 1.39 -2.64 -0.14 0.00 8.25 -1.26 -4.90 115.22 115.92 1ish n HIS 10 Ca 0.07 0.97 -0.04 0.00 -0.26 0.00 0.00 57.72 58.46 1ish n HIS 10 Cb 0.36 -4.70 0.02 0.00 1.12 0.00 0.00 29.99 26.79 1ish n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ish h LEU 11 N -2.45 -0.54 0.23 2.41 5.85 -1.86 -2.20 115.31 116.75 1ish h LEU 11 Ca -0.58 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ish h LEU 11 Cb 1.37 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1ish h LEU 11 CO 0.59 -0.19 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.13 1ish h ARG 12 N -0.05 -0.55 -0.73 1.25 2.43 -1.90 0.57 114.38 115.40 1ish h ARG 12 Ca 0.22 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1ish h ARG 12 Cb 0.39 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1ish h ARG 12 CO -0.50 -0.37 0.44 -0.44 -1.51 0.00 0.00 179.97 177.60 1ish h ASP 13 N -0.57 0.69 -0.24 -3.80 3.32 -1.92 0.20 116.42 114.11 1ish h ASP 13 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ish h ASP 13 Cb 0.55 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ish h ASP 13 CO -0.10 0.46 0.11 0.40 -1.72 0.00 0.00 179.24 178.39 1ish h ILE 14 N 0.83 1.15 0.08 0.35 2.04 -1.18 0.02 117.51 120.81 1ish h ILE 14 Ca 0.31 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ish h ILE 14 Cb 0.11 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1ish h ILE 14 CO -0.15 0.15 -0.19 0.15 0.00 0.00 0.00 178.15 178.11 1ish h PHE 15 N 0.24 -0.50 -0.44 1.37 3.57 -0.45 -0.17 116.94 120.57 1ish h PHE 15 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1ish h PHE 15 Cb 0.14 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1ish h PHE 15 CO -0.02 -0.28 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.66 1ish h LEU 16 N -0.35 0.73 -0.04 0.59 3.38 -0.91 -0.86 115.31 117.87 1ish h LEU 16 Ca 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ish h LEU 16 Cb 0.38 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ish h LEU 16 CO -0.12 0.84 0.01 1.23 0.09 0.00 0.00 178.44 180.49 1ish h GLY 17 N 0.97 0.06 1.00 0.83 0.00 -0.71 0.10 103.07 105.32 1ish h GLY 17 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ish h GLY 17 CO 0.03 0.03 0.38 3.21 0.00 0.00 0.00 176.54 180.19 1ish h ARG 18 N -0.13 0.76 -0.02 4.80 3.08 -0.88 -1.23 114.38 120.76 1ish h ARG 18 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ish h ARG 18 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ish h ARG 18 CO -0.00 0.50 -0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1ish h ALA 20 N 1.02 0.72 -0.31 0.00 0.00 -0.47 -2.04 119.26 118.18 1ish h ALA 20 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ish h ALA 20 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ish h ALA 20 CO -0.02 0.02 -0.18 0.93 0.00 0.00 0.00 179.25 180.01 1ish h GLU 21 N 0.63 0.56 0.00 0.00 5.08 -1.01 -2.83 114.58 117.01 1ish h GLU 21 Ca 0.23 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ish h GLU 21 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ish h GLU 21 CO -0.12 0.71 -0.45 -0.92 -1.00 0.00 0.00 179.01 177.23 1ish h TYR 22 N 0.50 0.00 -0.93 4.33 3.20 -0.44 -2.94 116.97 120.70 1ish h TYR 22 Ca 0.08 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.09 1ish h TYR 22 Cb 0.59 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 1ish h TYR 22 CO 0.02 0.45 0.59 0.00 -1.64 0.00 0.00 178.16 177.59 1ish h ARG 23 N 0.00 0.77 0.00 1.82 3.08 -1.12 0.78 114.38 119.72 1ish h ARG 23 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ish h ARG 23 Cb 0.80 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ish h ARG 23 CO 0.06 0.51 -0.07 0.00 -1.07 0.00 0.00 179.97 179.41 1ish h ALA 24 N 1.58 1.85 0.00 0.04 0.00 -1.62 -2.13 119.26 118.98 1ish h ALA 24 Ca 0.47 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1ish h ALA 24 Cb 0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ish h ALA 24 CO -0.23 0.08 -0.55 -0.07 0.00 0.00 0.00 179.25 178.48 1ish h LEU 25 N 0.00 0.00-10.30 0.00 3.38 -0.96 -3.46 115.31 103.97 1ish h LEU 25 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1ish h LEU 25 Cb 0.12 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.02 1ish h LEU 25 CO 0.01 0.55 0.25 -0.76 0.09 0.00 0.00 178.44 178.57 1ish s LEU 26 N -6.93 2.51 0.43 1.67 1.43 -0.80 -5.01 118.68 111.98 1ish s LEU 26 Ca 0.01 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 1ish s LEU 26 Cb 0.10 -4.20 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 1ish s LEU 26 CO 0.73 -2.65 0.98 -0.94 0.23 0.00 0.00 176.35 174.71 1ish s SER 27 N -3.20 6.85 0.28 2.29 1.04 -1.26 -4.83 113.70 114.86 1ish s SER 27 Ca 0.64 1.79 0.03 0.00 0.48 0.00 0.00 55.95 58.88 1ish s SER 27 Cb -0.19 -2.55 0.68 0.00 0.10 0.00 0.00 66.02 64.05 1ish s SER 27 CO 0.57 -0.42 1.71 1.55 0.98 0.00 0.00 173.24 177.63 1ish h PRO 28 N 2.05 0.44 -0.99 4.02 0.13 -1.95 0.05 132.00 135.76 1ish h PRO 28 Ca -0.49 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 1ish h PRO 28 Cb 1.19 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 1ish h PRO 28 CO 0.61 0.29 0.63 1.05 -0.23 0.00 0.00 178.00 180.35 1ish h GLU 29 N 0.46 0.98 -0.32 0.86 9.09 -2.03 -2.13 114.58 121.48 1ish h GLU 29 Ca 0.53 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1ish h GLU 29 Cb 0.96 -0.22 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1ish h GLU 29 CO -0.49 0.65 0.00 0.00 0.05 0.00 0.00 179.01 179.22 1ish n GLN 30 N -4.58 3.20 0.06 1.06 10.64 -0.56 -4.51 117.38 122.69 1ish n GLN 30 Ca 0.18 -2.79 0.11 0.00 -1.83 0.00 0.00 57.00 52.67 1ish n GLN 30 Cb 0.32 -1.83 0.45 0.00 -0.86 0.00 0.00 30.24 28.32 1ish n GLN 30 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1ish n ARG 31 N -0.18 0.12 -2.48 2.61 3.00 -0.10 -4.55 116.66 115.07 1ish n ARG 31 Ca 0.21 0.24 -0.39 0.00 -0.00 0.00 0.00 57.85 57.91 1ish n ARG 31 Cb 0.88 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 1ish n ARG 31 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1ish s ASN 32 N -3.73 6.32 -0.01 6.15 3.84 -1.26 -4.93 114.94 121.32 1ish s ASN 32 Ca 0.09 -1.44 0.05 0.00 0.21 0.00 0.00 52.86 51.76 1ish s ASN 32 Cb 0.12 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 38.24 1ish s ASN 32 CO 0.44 -1.68 -0.15 -0.54 -2.79 0.00 0.00 177.10 172.38 1ish s LYS 33 N 5.22 1.22 -0.57 0.43 -0.14 -1.26 -5.10 119.74 119.53 1ish s LYS 33 Ca 0.50 -0.54 -0.12 0.00 -1.36 0.00 0.00 55.97 54.46 1ish s LYS 33 Cb -0.01 -1.18 0.15 0.00 -1.68 0.00 0.00 37.83 35.11 1ish s LYS 33 CO -0.07 0.32 0.48 0.34 -0.76 0.00 0.00 175.35 175.67 1ish s ASP 34 N -0.35 6.01 0.34 2.83 -1.08 -1.26 -4.93 116.67 118.23 1ish s ASP 34 Ca 0.06 -2.11 0.05 0.00 -0.52 0.00 0.00 52.55 50.02 1ish s ASP 34 Cb -0.06 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.99 1ish s ASP 34 CO -0.01 -0.69 1.94 0.00 0.52 0.00 0.00 175.17 176.93 1ish h THR 36 N 0.83 1.19 -0.50 0.00 2.02 -1.97 0.14 112.91 114.62 1ish h THR 36 Ca 0.34 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1ish h THR 36 Cb 0.27 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1ish h THR 36 CO -0.12 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 175.94 1ish h ALA 37 N 0.90 1.01 -0.68 6.16 0.00 -1.81 -0.77 119.26 124.07 1ish h ALA 37 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ish h ALA 37 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ish h ALA 37 CO -0.00 0.60 0.26 0.82 0.00 0.00 0.00 179.25 180.94 1ish h ILE 38 N 0.79 1.24 -0.46 0.00 2.04 -0.68 -0.11 117.51 120.33 1ish h ILE 38 Ca 0.15 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 65.11 1ish h ILE 38 Cb 0.51 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1ish h ILE 38 CO 0.03 0.31 -0.19 -0.25 0.00 0.00 0.00 178.15 178.04 1ish h TRP 39 N 0.97 1.03 -0.25 1.37 2.91 -0.58 -0.89 115.95 120.51 1ish h TRP 39 Ca 0.23 -0.23 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1ish h TRP 39 Cb 0.22 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1ish h TRP 39 CO 0.02 1.02 0.07 0.93 -1.03 0.00 0.00 178.44 179.44 1ish h GLU 40 N 0.80 0.39 -0.85 2.65 4.39 -0.78 0.33 114.58 121.50 1ish h GLU 40 Ca 0.11 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1ish h GLU 40 Cb 0.74 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1ish h GLU 40 CO 0.06 0.48 0.56 0.00 -1.16 0.00 0.00 179.01 178.95 1ish h ALA 41 N 0.89 1.11 -0.46 3.43 0.00 -0.91 -2.49 119.26 120.84 1ish h ALA 41 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ish h ALA 41 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ish h ALA 41 CO -0.00 0.43 0.17 0.35 0.00 0.00 0.00 179.25 180.19 1ish h PHE 42 N 1.10 0.72 0.00 0.00 3.57 -0.84 -2.97 116.94 118.52 1ish h PHE 42 Ca 0.33 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1ish h PHE 42 Cb -0.05 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1ish h PHE 42 CO -0.02 0.63 0.00 0.36 -2.23 0.00 0.00 178.31 177.05 1ish n LYS 43 N -4.57 0.46 0.24 1.11 2.85 0.08 -2.85 118.16 115.48 1ish n LYS 43 Ca 0.01 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.34 1ish n LYS 43 Cb 0.17 -1.40 0.57 0.00 -0.65 0.00 0.00 35.03 33.72 1ish n LYS 43 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1ish h VAL 44 N 0.00 1.06 0.00 0.58 3.04 -1.48 -0.09 116.25 119.36 1ish h VAL 44 Ca 0.00 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 1ish h VAL 44 Cb 0.00 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1ish h VAL 44 CO 0.00 0.09 -0.09 0.00 -1.01 0.00 0.00 177.57 176.56 1ish h ALA 45 N 1.90 0.98 -0.00 3.17 0.00 -1.78 -2.78 119.26 120.75 1ish h ALA 45 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ish h ALA 45 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ish h ALA 45 CO 0.01 0.11 -0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ish n LEU 46 N -3.17 0.16 -0.77 0.00 4.77 -0.05 -3.07 117.00 114.87 1ish n LEU 46 Ca 0.02 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1ish n LEU 46 Cb 0.43 -0.02 0.21 0.00 -2.33 0.00 0.00 43.42 41.71 1ish n LEU 46 CO 0.31 0.03 0.63 0.47 -1.33 0.00 0.00 177.39 177.50 1ish n ASP 47 N -0.90 2.80 -4.41 -1.43 8.00 -1.05 -4.52 116.55 115.04 1ish n ASP 47 Ca 0.23 -3.40 -0.20 0.00 0.71 0.00 0.00 54.79 52.13 1ish n ASP 47 Cb 0.14 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 1ish n ASP 47 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ish s LYS 48 N -3.03 1.56 0.14 -1.24 1.02 -1.17 -5.10 119.74 111.91 1ish s LYS 48 Ca 0.40 -1.85 -0.31 0.00 0.02 0.00 0.00 55.97 54.23 1ish s LYS 48 Cb 0.35 -0.75 -0.10 0.00 -0.52 0.00 0.00 37.83 36.82 1ish s LYS 48 CO 0.02 -0.18 1.59 0.34 -0.92 0.00 0.00 175.35 176.20 1ish s ASP 49 N -3.43 6.60 0.00 2.83 2.15 -1.26 -4.53 116.67 119.02 1ish s ASP 49 Ca 0.35 2.57 0.00 0.00 0.43 0.00 0.00 52.55 55.91 1ish s ASP 49 Cb 0.08 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1ish s ASP 49 CO 0.14 -0.84 0.63 -0.81 -0.17 0.00 0.00 175.17 174.12 1ish n PRO 50 N 4.39 0.00 -0.01 4.34 -0.04 -1.26 0.25 135.00 142.67 1ish n PRO 50 Ca 0.14 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 1ish n PRO 50 Cb 0.39 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1ish n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ish n SER 52 N -0.56 2.44 -4.54 0.00 7.64 0.14 -4.43 113.62 114.30 1ish n SER 52 Ca 0.01 -3.49 -0.34 0.00 1.01 0.00 0.00 58.87 56.06 1ish n SER 52 Cb 0.30 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 1ish n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ish s VAL 53 N -3.19 4.32 0.28 0.44 1.01 -0.86 -4.76 120.40 117.64 1ish s VAL 53 Ca 0.40 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1ish s VAL 53 Cb 0.38 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1ish s VAL 53 CO -0.05 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 174.85 1ish s LEU 54 N 0.55 3.44 0.29 3.92 1.43 -1.26 -4.25 118.68 122.80 1ish s LEU 54 Ca 0.00 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1ish s LEU 54 Cb -0.14 -1.97 0.48 0.00 0.03 0.00 0.00 46.19 44.60 1ish s LEU 54 CO 0.02 -0.08 1.90 -0.65 0.23 0.00 0.00 176.35 177.77 1ish h PRO 55 N 1.66 1.05 0.00 1.29 0.11 -1.95 -1.51 132.00 132.65 1ish h PRO 55 Ca -0.46 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ish h PRO 55 Cb 1.25 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ish h PRO 55 CO 0.61 0.70 -0.02 0.66 -0.21 0.00 0.00 178.00 179.74 1ish h SER 56 N 1.09 0.00 0.35 -2.05 4.64 -1.95 -1.95 113.55 113.67 1ish h SER 56 Ca 0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1ish h SER 56 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ish h SER 56 CO -0.16 0.02 -0.02 0.44 -0.87 0.00 0.00 176.83 176.23 1ish h ASP 57 N 0.00 0.00 -0.56 4.97 3.32 -1.67 -1.70 116.42 120.78 1ish h ASP 57 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ish h ASP 57 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ish h ASP 57 CO 0.00 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 1ish n TYR 58 N -3.24 0.75 -0.15 4.55 4.02 -0.73 -4.50 117.16 117.86 1ish n TYR 58 Ca -0.02 -0.37 -0.04 0.00 -0.01 0.00 0.00 57.90 57.46 1ish n TYR 58 Cb 0.17 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1ish n TYR 58 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ish h ASP 59 N 3.30 0.22 -0.60 7.72 3.32 -1.45 -1.17 116.42 127.77 1ish h ASP 59 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ish h ASP 59 Cb 0.76 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1ish h ASP 59 CO 0.00 0.16 0.29 -0.07 -1.72 0.00 0.00 179.24 177.91 1ish h LEU 60 N 0.38 0.79 -0.55 1.55 3.38 -1.83 0.20 115.31 119.23 1ish h LEU 60 Ca 0.22 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1ish h LEU 60 Cb 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1ish h LEU 60 CO -0.20 0.69 0.24 0.15 0.09 0.00 0.00 178.44 179.41 1ish h PHE 61 N 0.82 0.43 -0.39 1.13 3.57 -1.68 -0.90 116.94 119.91 1ish h PHE 61 Ca 0.21 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1ish h PHE 61 Cb 0.11 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1ish h PHE 61 CO -0.00 0.16 0.05 0.82 -2.23 0.00 0.00 178.31 177.11 1ish h ILE 62 N 0.45 1.25 -0.82 1.41 1.08 -0.64 -1.88 117.51 118.36 1ish h ILE 62 Ca 0.26 -0.89 0.07 0.00 -0.39 0.00 0.00 64.86 63.91 1ish h ILE 62 Cb 0.25 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 1ish h ILE 62 CO -0.23 0.30 0.49 0.74 -0.69 0.00 0.00 178.15 178.76 1ish h THR 63 N 0.50 0.98 0.00 -0.27 2.02 -0.38 0.39 112.91 116.15 1ish h THR 63 Ca 0.12 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1ish h THR 63 Cb 0.39 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1ish h THR 63 CO 0.01 0.16 -0.22 -0.07 0.37 0.00 0.00 175.52 175.77 1ish h LEU 64 N 0.86 0.00 0.00 2.58 3.38 -1.03 -3.35 115.31 117.75 1ish h LEU 64 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1ish h LEU 64 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ish h LEU 64 CO -0.20 0.22 -1.65 -1.54 0.09 0.00 0.00 178.44 175.36 1ish n SER 65 N -3.22 1.92 -4.58 -0.43 3.41 -0.72 -4.73 113.62 105.28 1ish n SER 65 Ca 0.02 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.16 1ish n SER 65 Cb 0.54 1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 65.95 1ish n SER 65 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ish n ARG 66 N -2.05 1.20 -3.87 4.33 0.63 0.13 -4.59 116.66 112.45 1ish n ARG 66 Ca -0.05 0.43 -0.09 0.00 -0.92 0.00 0.00 57.85 57.21 1ish n ARG 66 Cb 0.44 -1.87 -0.06 0.00 0.45 0.00 0.00 32.46 31.42 1ish n ARG 66 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1ish s HIS 67 N -0.48 0.20 0.52 -0.14 -3.43 -1.26 -5.04 115.29 105.66 1ish s HIS 67 Ca 0.68 -0.57 -0.19 0.00 -0.80 0.00 0.00 55.06 54.19 1ish s HIS 67 Cb -0.80 0.08 -0.07 0.00 -1.43 0.00 0.00 32.58 30.36 1ish s HIS 67 CO 0.55 -0.75 1.05 -1.54 -2.00 0.00 0.00 174.74 172.04 1ish s SER 68 N -2.92 6.16 -0.17 7.38 1.04 -1.26 -5.04 113.70 118.87 1ish s SER 68 Ca 0.13 1.89 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 1ish s SER 68 Cb 0.02 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1ish s SER 68 CO -0.02 -0.91 -0.05 -0.63 0.98 0.00 0.00 173.24 172.60 1ish s ILE 69 N -2.14 3.56 0.46 -1.02 1.01 -1.26 -5.09 121.20 116.72 1ish s ILE 69 Ca 0.66 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 60.62 1ish s ILE 69 Cb -0.16 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.64 1ish s ILE 69 CO 0.26 0.47 1.06 -2.65 0.00 0.00 0.00 174.94 174.07 1ish n PRO 70 N 3.99 1.38 -1.87 2.79 -0.02 -1.26 -4.80 135.00 135.22 1ish n PRO 70 Ca -0.18 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 1ish n PRO 70 Cb 0.52 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1ish n PRO 70 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ish s ARG 71 N -2.20 4.17 -0.40 -0.52 3.52 -1.26 -2.33 118.95 119.91 1ish s ARG 71 Ca 0.65 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.74 1ish s ARG 71 Cb -0.52 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1ish s ARG 71 CO 0.55 -0.48 0.00 -0.25 -0.81 0.00 0.00 175.30 174.31 1ish n ASP 72 N 0.95 -4.58 -0.31 -2.12 8.00 -0.64 -4.87 116.55 112.99 1ish n ASP 72 Ca 0.02 0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.68 1ish n ASP 72 Cb 0.39 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.08 1ish n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ish n LYS 73 N -1.40 1.83 -2.28 -1.24 4.76 -0.98 -4.81 118.16 114.04 1ish n LYS 73 Ca -0.04 -0.74 -0.41 0.00 -2.87 0.00 0.00 58.31 54.26 1ish n LYS 73 Cb 0.31 -1.18 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1ish n LYS 73 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1ish s SER 74 N -1.59 6.99 -0.18 4.39 0.01 -1.26 -0.49 113.70 121.57 1ish s SER 74 Ca 0.11 2.45 -0.03 0.00 1.31 0.00 0.00 55.95 59.79 1ish s SER 74 Cb 0.10 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1ish s SER 74 CO 0.32 -0.39 0.04 -0.22 0.41 0.00 0.00 173.24 173.40 1ish s LEU 75 N -1.21 0.96 0.42 2.44 2.96 -1.26 -2.67 118.68 120.32 1ish s LEU 75 Ca 0.49 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1ish s LEU 75 Cb -0.36 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 45.82 1ish s LEU 75 CO 0.45 -0.31 0.59 -0.36 -1.32 0.00 0.00 176.35 175.41 1ish s PHE 76 N 1.92 3.04 0.10 5.38 0.40 0.44 -4.33 117.98 124.93 1ish s PHE 76 Ca 0.00 -0.10 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 1ish s PHE 76 Cb -0.16 -2.29 0.09 0.00 0.51 0.00 0.00 43.02 41.16 1ish s PHE 76 CO -0.08 -0.33 1.10 1.67 0.70 0.00 0.00 175.22 178.28 1ish s TRP 77 N -2.41 -0.03 -0.23 0.36 1.48 -1.26 -0.26 118.94 116.59 1ish s TRP 77 Ca 0.50 -0.24 -0.17 0.00 -1.06 0.00 0.00 56.10 55.13 1ish s TRP 77 Cb -0.10 0.63 0.07 0.00 -1.16 0.00 0.00 33.47 32.90 1ish s TRP 77 CO 0.34 -0.66 0.59 -1.21 -4.06 0.00 0.00 176.95 171.96 1ish s GLU 78 N -2.58 0.64 -1.52 3.25 0.41 -0.85 -4.83 118.70 113.23 1ish s GLU 78 Ca 0.18 0.96 -0.13 0.00 -0.41 0.00 0.00 54.97 55.56 1ish s GLU 78 Cb -0.00 0.20 0.08 0.00 -1.78 0.00 0.00 34.13 32.63 1ish s GLU 78 CO 0.01 -0.12 0.95 0.09 -0.49 0.00 0.00 175.26 175.71 1ish n ASN 79 N 3.57 -4.91 -0.65 -0.19 3.02 -1.26 -3.42 115.26 111.42 1ish n ASN 79 Ca -0.18 -0.73 -0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1ish n ASN 79 Cb 0.57 -3.92 -0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1ish n ASN 79 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ish n SER 80 N -2.79 0.02 -0.12 6.41 7.64 -1.26 -4.52 113.62 119.00 1ish n SER 80 Ca 0.04 -1.64 -0.03 0.00 1.01 0.00 0.00 58.87 58.25 1ish n SER 80 Cb 0.53 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1ish n SER 80 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ish n HIS 81 N 0.05 -0.12 -0.27 1.43 -0.00 -1.26 -0.82 115.22 114.23 1ish n HIS 81 Ca -0.02 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1ish n HIS 81 Cb 0.68 -0.51 0.13 0.00 -0.12 0.00 0.00 29.99 30.17 1ish n HIS 81 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1ish h LEU 82 N 0.00 0.68 -0.59 0.27 3.38 -1.99 -1.41 115.31 115.64 1ish h LEU 82 Ca 0.04 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ish h LEU 82 Cb 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ish h LEU 82 CO -0.26 0.42 0.17 0.25 0.09 0.00 0.00 178.44 179.12 1ish h LEU 83 N 0.81 0.88 -0.51 1.67 5.85 -1.79 -1.34 115.31 120.87 1ish h LEU 83 Ca 0.35 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ish h LEU 83 Cb 0.23 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ish h LEU 83 CO -0.20 0.86 0.28 0.58 -0.34 0.00 0.00 178.44 179.63 1ish h VAL 84 N 0.85 1.18 -0.62 1.05 2.07 -0.51 0.72 116.25 120.98 1ish h VAL 84 Ca 0.19 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1ish h VAL 84 Cb 0.31 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1ish h VAL 84 CO -0.00 0.19 0.18 0.78 0.02 0.00 0.00 177.57 178.73 1ish h ASN 85 N 0.69 0.91 -0.35 0.57 -0.26 -1.03 -0.37 115.58 115.74 1ish h ASN 85 Ca 0.18 -0.22 -0.16 0.00 -0.56 0.00 0.00 56.30 55.55 1ish h ASN 85 Cb 0.05 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1ish h ASN 85 CO -0.03 0.89 -0.40 0.28 -1.06 0.00 0.00 177.43 177.11 1ish h SER 86 N 0.89 0.96 -0.13 5.81 0.02 -1.03 -2.72 113.55 117.34 1ish h SER 86 Ca 0.20 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1ish h SER 86 Cb 0.31 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1ish h SER 86 CO -0.00 1.24 0.00 0.15 -1.14 0.00 0.00 176.83 177.08 1ish h PHE 87 N 0.69 0.25 -0.72 3.45 3.04 -0.74 -2.58 116.94 120.34 1ish h PHE 87 Ca 0.05 -0.04 0.18 0.00 3.98 0.00 0.00 57.97 62.14 1ish h PHE 87 Cb 1.00 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 1ish h PHE 87 CO 0.07 0.46 0.50 0.00 -2.02 0.00 0.00 178.31 177.31 1ish h ALA 88 N 0.76 2.41 -6.07 2.41 0.00 -1.08 -3.42 119.26 114.26 1ish h ALA 88 Ca 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.56 1ish h ALA 88 Cb 0.36 0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.24 1ish h ALA 88 CO 0.01 -0.61 -0.87 -3.47 0.00 0.00 0.00 179.25 174.31 1ish n ASP 89 N -4.41 -5.71 -3.88 0.00 2.03 -0.97 -1.16 116.55 102.46 1ish n ASP 89 Ca 0.14 -0.90 -0.25 0.00 0.52 0.00 0.00 54.79 54.30 1ish n ASP 89 Cb 0.66 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 1ish n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ish n ASN 90 N -2.69 -1.47 0.00 1.67 5.15 -1.26 -1.52 115.26 115.15 1ish n ASN 90 Ca -0.09 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1ish n ASN 90 Cb 0.59 -3.52 0.00 0.00 -0.53 0.00 0.00 39.78 36.33 1ish n ASN 90 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1ish n THR 91 N -4.39 0.00 -0.24 -0.44 -1.04 -1.19 -4.92 114.28 102.06 1ish n THR 91 Ca -0.23 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.76 1ish n THR 91 Cb 0.65 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.24 1ish n THR 91 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ish h ARG 92 N 1.76 0.78 0.00 -2.82 1.12 -1.07 -3.34 114.38 110.80 1ish h ARG 92 Ca 0.00 -0.05 -0.36 0.00 -1.11 0.00 0.00 59.98 58.47 1ish h ARG 92 Cb 0.00 -0.17 -0.06 0.00 -0.01 0.00 0.00 29.97 29.72 1ish h ARG 92 CO 0.00 0.51 -2.31 0.54 -3.11 0.00 0.00 179.97 175.60 1ish n ARG 93 N -4.71 0.56 -4.04 0.20 1.74 -0.30 -5.04 116.66 105.06 1ish n ARG 93 Ca 0.08 0.15 -0.10 0.00 -0.77 0.00 0.00 57.85 57.21 1ish n ARG 93 Cb 0.12 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 1ish n ARG 93 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ish s PHE 94 N -2.45 0.60 -0.61 -1.55 0.40 -1.21 -5.00 117.98 108.16 1ish s PHE 94 Ca -0.31 -0.93 0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1ish s PHE 94 Cb 0.09 -0.12 0.21 0.00 0.51 0.00 0.00 43.02 43.70 1ish s PHE 94 CO 0.51 -0.78 0.57 -0.12 0.70 0.00 0.00 175.22 176.09 1ish n MET 95 N -0.28 1.73 -1.06 0.44 1.56 0.36 -3.73 117.12 116.14 1ish n MET 95 Ca -0.03 -4.24 -0.29 0.00 -0.27 0.00 0.00 57.70 52.88 1ish n MET 95 Cb 0.63 -2.07 0.20 0.00 2.15 0.00 0.00 33.22 34.13 1ish n MET 95 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1ish s PRO 96 N -1.59 -0.05 0.41 2.12 0.04 -1.26 -4.16 135.00 130.50 1ish s PRO 96 Ca 0.32 0.47 0.15 0.00 0.04 0.00 0.00 61.00 61.99 1ish s PRO 96 Cb 0.06 -1.68 1.02 0.00 0.04 0.00 0.00 34.50 33.94 1ish s PRO 96 CO -0.11 -3.05 1.87 1.25 0.04 0.00 0.00 177.00 177.00 1ish h LEU 97 N -2.12 0.45 -0.92 -3.56 5.85 -1.95 0.30 115.31 113.36 1ish h LEU 97 Ca -0.55 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ish h LEU 97 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ish h LEU 97 CO 0.55 0.20 0.00 -1.54 -0.34 0.00 0.00 178.44 177.31 1ish n SER 98 N -4.52 0.66 -1.12 1.25 3.41 -1.26 -1.81 113.62 110.23 1ish n SER 98 Ca 0.18 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.55 1ish n SER 98 Cb 0.61 -0.82 0.28 0.00 -0.26 0.00 0.00 64.21 64.02 1ish n SER 98 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ish n ASP 99 N -2.27 4.17 -4.57 4.04 8.00 0.11 -3.00 116.55 123.02 1ish n ASP 99 Ca 0.01 -3.06 -0.31 0.00 0.71 0.00 0.00 54.79 52.14 1ish n ASP 99 Cb 0.18 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.59 1ish n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ish s VAL 100 N -2.86 3.44 0.17 2.53 1.01 -0.75 -4.81 120.40 119.14 1ish s VAL 100 Ca 0.45 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 1ish s VAL 100 Cb 0.36 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ish s VAL 100 CO 0.10 0.32 1.56 0.25 0.00 0.00 0.00 175.10 177.33 1ish h LEU 101 N 4.33 -1.63 -1.27 3.92 5.85 -1.86 0.26 115.31 124.90 1ish h LEU 101 Ca -0.48 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1ish h LEU 101 Cb 1.16 0.74 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1ish h LEU 101 CO 0.52 -0.32 0.00 0.10 -0.34 0.00 0.00 178.44 178.41 1ish h TYR 102 N -0.18 0.00 0.07 1.25 -0.00 -1.88 -2.81 116.97 113.41 1ish h TYR 102 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.58 1ish h TYR 102 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.25 1ish h TYR 102 CO -0.78 0.00 -1.87 0.41 -0.00 0.00 0.00 178.16 175.91 1ish n GLY 103 N -0.48 -0.61 0.31 0.10 0.00 -0.22 -4.36 105.19 99.94 1ish n GLY 103 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.97 1ish n GLY 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ish h ARG 104 N -0.33 0.55 0.00 1.61 9.65 -0.33 -1.63 114.38 123.90 1ish h ARG 104 Ca -0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1ish h ARG 104 Cb 1.77 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.23 1ish h ARG 104 CO -0.06 0.36 0.00 1.33 2.80 0.00 0.00 179.97 184.41 1ish n VAL 105 N -4.91 0.85 0.02 0.20 0.24 -1.12 -3.32 118.33 110.28 1ish n VAL 105 Ca 0.18 0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 1ish n VAL 105 Cb 0.50 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1ish n VAL 105 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ish n ALA 106 N -1.77 2.38 -1.69 2.33 0.00 -0.68 -4.63 120.51 116.43 1ish n ALA 106 Ca 0.02 -0.37 -0.52 0.00 0.00 0.00 0.00 53.44 52.57 1ish n ALA 106 Cb 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1ish n ALA 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ish n ASP 107 N -0.26 2.95 0.00 0.00 4.64 -0.79 -1.12 116.55 121.97 1ish n ASP 107 Ca 0.00 1.02 0.00 0.00 -1.38 0.00 0.00 54.79 54.43 1ish n ASP 107 Cb 0.01 -1.27 0.00 0.00 -1.04 0.00 0.00 41.12 38.82 1ish n ASP 107 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1ish n PHE 108 N 5.95 0.00 -2.67 -0.67 3.01 -1.26 -5.01 117.46 116.82 1ish n PHE 108 Ca 0.24 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.44 1ish n PHE 108 Cb 0.22 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.34 1ish n PHE 108 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ish s LEU 109 N 0.00 3.50 0.05 4.37 1.43 -0.27 -5.06 118.68 122.70 1ish s LEU 109 Ca 0.00 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1ish s LEU 109 Cb 0.00 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1ish s LEU 109 CO 0.00 -0.78 -0.09 -0.55 0.23 0.00 0.00 176.35 175.17 1ish s SER 110 N -4.20 1.02 -0.07 2.29 0.15 -1.26 -4.98 113.70 106.64 1ish s SER 110 Ca 0.50 -0.62 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 1ish s SER 110 Cb -0.10 0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.34 1ish s SER 110 CO 0.43 -0.22 0.85 -1.66 1.20 0.00 0.00 173.24 173.84 1ish s TRP 111 N -1.67 -0.46 0.00 3.44 -2.14 -1.26 -0.70 118.94 116.15 1ish s TRP 111 Ca -0.06 0.67 0.00 0.00 2.66 0.00 0.00 56.10 59.37 1ish s TRP 111 Cb -0.08 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.76 1ish s TRP 111 CO 0.00 -0.50 0.00 0.00 -2.66 0.00 0.00 176.95 173.79 1ish s ARG 113 N -1.52 3.62 0.67 0.00 3.52 -1.26 -1.07 118.95 122.91 1ish s ARG 113 Ca 0.00 0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 56.13 1ish s ARG 113 Cb 0.00 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.27 1ish s ARG 113 CO 0.00 -0.50 1.20 -0.65 -0.81 0.00 0.00 175.30 174.55 1ish s GLN 114 N -5.02 2.52 0.18 5.12 -0.21 -0.04 -4.42 119.66 117.78 1ish s GLN 114 Ca 0.54 1.77 -0.17 0.00 0.02 0.00 0.00 55.36 57.52 1ish s GLN 114 Cb -0.11 -1.88 0.12 0.00 1.00 0.00 0.00 33.01 32.15 1ish s GLN 114 CO 0.51 -1.55 1.64 -0.22 -2.12 0.00 0.00 175.29 173.56 1ish h LYS 115 N 0.19 -0.05 -1.21 2.91 3.64 -1.95 -3.29 116.57 116.81 1ish h LYS 115 Ca -0.49 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.48 1ish h LYS 115 Cb 1.29 0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.72 1ish h LYS 115 CO 0.52 -0.04 -1.11 0.00 -2.27 0.00 0.00 179.45 176.56 1ish n ALA 116 N -2.85 3.59 -3.63 5.00 0.00 -1.26 -4.79 120.51 116.56 1ish n ALA 116 Ca 0.03 -3.39 -0.11 0.00 0.00 0.00 0.00 53.44 49.97 1ish n ALA 116 Cb 0.27 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1ish n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ish s ASP 117 N -3.13 -0.64 0.48 0.00 2.15 -1.24 -5.05 116.67 109.24 1ish s ASP 117 Ca 0.32 1.21 0.21 0.00 0.43 0.00 0.00 52.55 54.72 1ish s ASP 117 Cb 0.44 1.23 1.24 0.00 -0.30 0.00 0.00 42.92 45.52 1ish s ASP 117 CO -0.01 -0.21 1.97 0.77 -0.17 0.00 0.00 175.17 177.52 1ish h SER 118 N 4.81 0.18 -4.18 -0.34 4.64 -1.96 -3.24 113.55 113.46 1ish h SER 118 Ca -0.29 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.52 1ish h SER 118 Cb 1.17 -0.03 0.13 0.00 -0.31 0.00 0.00 62.40 63.36 1ish h SER 118 CO 0.08 0.09 0.39 -0.83 -0.87 0.00 0.00 176.83 175.69 1ish s GLY 119 N -3.92 2.29 0.55 -0.77 0.00 -1.26 -4.71 107.32 99.51 1ish s GLY 119 Ca -0.06 0.74 -0.19 0.00 0.00 0.00 0.00 44.72 45.21 1ish s GLY 119 CO 0.75 1.12 1.11 1.08 0.00 0.00 0.00 173.10 177.16 1ish s LEU 120 N -4.93 3.72 -0.53 0.66 1.43 -1.26 -0.86 118.68 116.91 1ish s LEU 120 Ca 0.71 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.74 1ish s LEU 120 Cb -0.25 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.48 1ish s LEU 120 CO 0.42 -1.18 0.58 -0.62 0.23 0.00 0.00 176.35 175.78 1ish s ASP 121 N -1.93 6.19 0.00 2.29 -1.08 -0.23 -4.58 116.67 117.33 1ish s ASP 121 Ca 0.71 -1.27 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 1ish s ASP 121 Cb -0.22 -2.26 0.95 0.00 -1.46 0.00 0.00 42.92 39.93 1ish s ASP 121 CO 0.28 -0.90 1.68 -1.22 0.52 0.00 0.00 175.17 175.52 1ish n TYR 122 N 5.90 0.07 -0.08 -5.34 4.02 -1.26 -0.34 117.16 120.13 1ish n TYR 122 Ca -0.10 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.90 57.59 1ish n TYR 122 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.63 1ish n TYR 122 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1ish h GLN 123 N 2.32 0.00 -2.17 -0.72 5.75 -1.89 -3.40 115.11 115.00 1ish h GLN 123 Ca 0.00 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 1ish h GLN 123 Cb 0.50 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 28.90 1ish h GLN 123 CO 0.00 0.97 0.54 -1.54 -2.65 0.00 0.00 178.83 176.15 1ish s SER 124 N -6.41 -0.29 0.04 -0.69 1.04 -1.26 -4.00 113.70 102.13 1ish s SER 124 Ca -0.22 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.16 1ish s SER 124 Cb 0.00 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1ish s SER 124 CO 0.64 -0.61 -0.07 0.00 0.98 0.00 0.00 173.24 174.17 1ish s PRO 126 N -1.57 3.27 0.50 0.00 0.04 -1.26 -2.45 135.00 133.53 1ish s PRO 126 Ca -0.11 1.87 0.08 0.00 0.04 0.00 0.00 61.00 62.88 1ish s PRO 126 Cb -0.10 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1ish s PRO 126 CO 0.00 -0.98 0.54 0.95 0.04 0.00 0.00 177.00 177.55 1ish s THR 127 N -1.54 2.24 0.56 1.26 -4.23 -1.26 -4.89 115.64 107.78 1ish s THR 127 Ca 0.72 -1.24 0.25 0.00 -1.18 0.00 0.00 61.69 60.24 1ish s THR 127 Cb -0.31 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1ish s THR 127 CO 0.36 0.00 2.08 -1.28 -0.54 0.00 0.00 174.62 175.23 1ish h SER 128 N 0.64 0.00 0.16 3.99 0.87 -1.90 -1.40 113.55 115.91 1ish h SER 128 Ca -0.36 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1ish h SER 128 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ish h SER 128 CO 0.51 0.00 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.40 1ish h GLU 129 N 0.00 -0.21 -0.97 2.24 4.39 -1.97 -2.97 114.58 115.09 1ish h GLU 129 Ca 0.12 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.96 1ish h GLU 129 Cb 0.56 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.18 1ish h GLU 129 CO -0.00 0.10 0.60 -0.44 -1.16 0.00 0.00 179.01 178.11 1ish h ASP 130 N -0.52 0.86 -2.84 1.42 3.32 -1.65 -3.44 116.42 113.57 1ish h ASP 130 Ca -0.02 0.05 0.22 0.00 0.02 0.00 0.00 57.03 57.30 1ish h ASP 130 Cb 0.40 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 39.54 1ish h ASP 130 CO 0.04 0.45 0.92 0.00 -1.72 0.00 0.00 179.24 178.92 1ish h GLU 132 N 2.41 0.16 -2.86 0.00 4.81 -1.81 -3.35 114.58 113.94 1ish h GLU 132 Ca -0.14 -0.02 -0.75 0.00 -0.13 0.00 0.00 59.36 58.31 1ish h GLU 132 Cb 1.19 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 1ish h GLU 132 CO 0.21 0.23 2.12 0.09 -0.73 0.00 0.00 179.01 180.93 1ish n ASN 133 N -4.94 7.07 -4.91 1.04 3.02 -1.26 -4.69 115.26 110.59 1ish n ASN 133 Ca -0.05 -3.19 -0.30 0.00 -0.03 0.00 0.00 54.58 51.01 1ish n ASN 133 Cb 0.09 -1.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.85 1ish n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ish s ASN 134 N 0.26 6.46 0.25 6.41 2.20 -1.26 -2.03 114.94 127.24 1ish s ASN 134 Ca 0.48 0.59 -0.05 0.00 -0.94 0.00 0.00 52.86 52.94 1ish s ASN 134 Cb 0.15 -2.09 0.49 0.00 -2.00 0.00 0.00 41.25 37.80 1ish s ASN 134 CO -0.06 -0.04 1.63 -0.65 -2.94 0.00 0.00 177.10 175.04 1ish h PRO 135 N 2.30 0.11 -0.21 3.55 0.11 -1.83 -2.11 132.00 133.91 1ish h PRO 135 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ish h PRO 135 Cb 1.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ish h PRO 135 CO 0.69 0.07 -0.02 0.28 -0.21 0.00 0.00 178.00 178.82 1ish h VAL 136 N 0.11 1.27 -0.37 3.15 2.07 -1.92 -2.02 116.25 118.54 1ish h VAL 136 Ca 0.44 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 1ish h VAL 136 Cb 0.80 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1ish h VAL 136 CO -0.68 0.29 -0.39 0.44 0.02 0.00 0.00 177.57 177.25 1ish h ASP 137 N 0.14 0.99 -0.33 0.57 3.32 -1.85 -2.41 116.42 116.85 1ish h ASP 137 Ca 0.06 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1ish h ASP 137 Cb 0.44 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1ish h ASP 137 CO 0.01 1.25 0.09 0.28 -1.72 0.00 0.00 179.24 179.16 1ish h SER 138 N 0.74 0.55 0.18 6.45 0.02 -1.43 -1.10 113.55 118.96 1ish h SER 138 Ca 0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1ish h SER 138 Cb 0.98 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1ish h SER 138 CO 0.10 0.56 -0.08 0.15 -1.14 0.00 0.00 176.83 176.41 1ish h PHE 139 N 0.59 -0.22 0.00 3.45 3.57 -1.20 -2.24 116.94 120.89 1ish h PHE 139 Ca 0.14 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1ish h PHE 139 Cb 0.23 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1ish h PHE 139 CO 0.01 -0.01 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.29 1ish h TRP 140 N -0.40 0.00 -0.25 0.41 4.06 -1.13 0.07 115.95 118.71 1ish h TRP 140 Ca -0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1ish h TRP 140 Cb 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1ish h TRP 140 CO -0.02 0.30 0.05 0.87 -3.56 0.00 0.00 178.44 176.09 1ish h LYS 141 N 0.00 0.40 -0.50 0.49 1.57 -1.11 0.22 116.57 117.64 1ish h LYS 141 Ca -0.00 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1ish h LYS 141 Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1ish h LYS 141 CO 0.04 0.52 0.11 -0.09 -0.57 0.00 0.00 179.45 179.45 1ish h ARG 142 N 0.22 0.81 -0.11 3.15 9.65 -0.88 -1.79 114.38 125.43 1ish h ARG 142 Ca 0.08 -0.20 -0.14 0.00 -1.10 0.00 0.00 59.98 58.62 1ish h ARG 142 Cb 0.30 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1ish h ARG 142 CO 0.00 0.79 -0.53 0.00 2.80 0.00 0.00 179.97 183.04 1ish h ALA 143 N 0.98 0.90 0.06 2.80 0.00 -0.91 -2.64 119.26 120.46 1ish h ALA 143 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ish h ALA 143 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ish h ALA 143 CO 0.00 0.68 -0.03 0.77 0.00 0.00 0.00 179.25 180.67 1ish h SER 144 N 0.24 -0.07 -0.24 0.00 0.02 -0.36 -0.79 113.55 112.35 1ish h SER 144 Ca 0.01 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1ish h SER 144 Cb 1.01 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 1ish h SER 144 CO 0.09 0.16 -0.11 0.40 -1.14 0.00 0.00 176.83 176.23 1ish h ILE 145 N -0.30 0.66 -0.41 3.27 2.04 -1.32 0.04 117.51 121.49 1ish h ILE 145 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ish h ILE 145 Cb 0.26 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1ish h ILE 145 CO 0.01 0.00 0.27 -0.61 0.00 0.00 0.00 178.15 177.82 1ish h GLN 146 N -0.07 0.54 -0.77 2.37 5.75 -1.42 -0.22 115.11 121.29 1ish h GLN 146 Ca 0.12 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1ish h GLN 146 Cb 0.26 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1ish h GLN 146 CO -0.28 0.36 0.49 -0.92 -2.65 0.00 0.00 178.83 175.83 1ish h TYR 147 N 0.55 0.92 -0.09 3.99 3.20 -0.68 -1.81 116.97 123.05 1ish h TYR 147 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1ish h TYR 147 Cb -0.05 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 1ish h TYR 147 CO -0.05 0.53 -0.04 0.77 -1.64 0.00 0.00 178.16 177.74 1ish h SER 148 N 0.96 0.19 -0.63 -2.11 0.02 -0.60 -2.88 113.55 108.50 1ish h SER 148 Ca 0.31 -0.40 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1ish h SER 148 Cb 0.01 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1ish h SER 148 CO -0.11 0.55 0.42 0.11 -1.14 0.00 0.00 176.83 176.66 1ish h LYS 149 N -0.18 0.60 -0.08 3.45 1.57 -0.84 -2.19 116.57 118.91 1ish h LYS 149 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ish h LYS 149 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ish h LYS 149 CO 0.01 0.40 0.00 -0.25 -0.57 0.00 0.00 179.45 179.04 1ish n ASP 150 N -4.48 1.56 -4.83 0.86 8.00 -0.70 -4.70 116.55 112.26 1ish n ASP 150 Ca 0.09 -1.58 -0.33 0.00 0.71 0.00 0.00 54.79 53.67 1ish n ASP 150 Cb 0.24 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 1ish n ASP 150 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ish s SER 151 N -1.81 6.89 0.21 -2.24 0.01 -0.82 -4.48 113.70 111.46 1ish s SER 151 Ca 0.36 1.44 -0.14 0.00 1.31 0.00 0.00 55.95 58.92 1ish s SER 151 Cb 0.19 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1ish s SER 151 CO 0.30 -0.20 0.45 -0.94 0.41 0.00 0.00 173.24 173.27 1ish s SER 152 N -2.12 -0.12 0.13 2.44 1.04 -1.26 -4.70 113.70 109.11 1ish s SER 152 Ca 0.54 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1ish s SER 152 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1ish s SER 152 CO 0.17 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1ish n GLY 153 N -0.33 0.53 3.67 7.32 0.00 0.06 -1.62 105.19 114.82 1ish n GLY 153 Ca -0.06 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1ish n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ish s VAL 154 N 0.00 4.64 -0.28 1.61 1.01 -1.26 -1.00 120.40 125.12 1ish s VAL 154 Ca 0.00 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 63.77 1ish s VAL 154 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1ish s VAL 154 CO 0.00 -0.09 0.42 -0.63 0.00 0.00 0.00 175.10 174.79 1ish s ILE 155 N 2.70 5.14 -0.03 2.22 -1.09 0.98 -4.33 121.20 126.79 1ish s ILE 155 Ca 0.48 0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 59.48 1ish s ILE 155 Cb -0.18 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1ish s ILE 155 CO 0.13 0.11 0.11 -1.00 -1.23 0.00 0.00 174.94 173.06 1ish s HIS 156 N 2.15 3.41 -0.04 3.97 3.76 -1.09 -0.33 115.29 127.12 1ish s HIS 156 Ca 0.17 0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1ish s HIS 156 Cb -0.16 -1.81 0.03 0.00 1.11 0.00 0.00 32.58 31.75 1ish s HIS 156 CO 0.10 0.61 0.02 0.08 -0.85 0.00 0.00 174.74 174.69 1ish s VAL 157 N -1.17 0.12 -0.24 -0.90 1.01 -0.59 -0.42 120.40 118.20 1ish s VAL 157 Ca 0.22 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1ish s VAL 157 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1ish s VAL 157 CO 0.12 0.16 0.05 -0.32 0.00 0.00 0.00 175.10 175.11 1ish s MET 158 N 1.36 3.58 0.32 2.72 1.75 0.64 0.52 119.30 130.18 1ish s MET 158 Ca -0.05 -0.52 0.10 0.00 -1.25 0.00 0.00 55.69 53.97 1ish s MET 158 Cb -0.13 -3.26 -0.05 0.00 2.84 0.00 0.00 34.83 34.23 1ish s MET 158 CO -0.03 -0.20 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.58 1ish s LEU 159 N 1.58 2.89 -0.38 4.11 1.43 0.32 -2.01 118.68 126.63 1ish s LEU 159 Ca 0.06 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1ish s LEU 159 Cb -0.15 -1.30 0.06 0.00 0.03 0.00 0.00 46.19 44.82 1ish s LEU 159 CO 0.02 -0.13 0.19 0.21 0.23 0.00 0.00 176.35 176.87 1ish s ASN 160 N -3.65 5.52 0.00 2.29 3.84 -1.22 -1.36 114.94 120.37 1ish s ASN 160 Ca 0.33 -1.32 0.18 0.00 0.21 0.00 0.00 52.86 52.26 1ish s ASN 160 Cb -0.02 -1.94 1.07 0.00 -0.55 0.00 0.00 41.25 39.81 1ish s ASN 160 CO 0.18 -0.44 1.64 0.61 -2.79 0.00 0.00 177.10 176.30 1ish n GLY 161 N 4.88 -0.92 0.28 1.21 0.00 0.25 -2.84 105.19 108.04 1ish n GLY 161 Ca -0.11 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1ish n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ish n SER 162 N -0.80 1.40 -4.69 1.61 7.64 -1.25 -1.50 113.62 116.02 1ish n SER 162 Ca 0.13 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.39 1ish n SER 162 Cb 0.06 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1ish n SER 162 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ish s GLU 163 N -1.93 4.22 0.61 1.43 2.56 -1.13 -4.78 118.70 119.68 1ish s GLU 163 Ca 0.11 2.25 0.31 0.00 0.00 0.00 0.00 54.97 57.64 1ish s GLU 163 Cb 0.12 -3.54 1.78 0.00 2.00 0.00 0.00 34.13 34.48 1ish s GLU 163 CO 0.42 -0.68 2.13 -1.35 -0.56 0.00 0.00 175.26 175.22 1ish h PRO 164 N 8.03 0.00 -0.54 4.30 0.11 -1.93 -1.39 132.00 140.58 1ish h PRO 164 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ish h PRO 164 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ish h PRO 164 CO 0.92 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 1ish n THR 165 N -3.61 0.75 0.00 -1.15 -2.24 -1.26 -5.04 114.28 101.73 1ish n THR 165 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1ish n THR 165 Cb 0.28 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1ish n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ish n GLY 166 N 1.33 1.08 0.15 3.38 0.00 -0.53 -4.78 105.19 105.82 1ish n GLY 166 Ca 0.18 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1ish n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ish h ALA 167 N 0.00 0.55 -3.37 4.61 0.00 -1.80 -3.43 119.26 115.82 1ish h ALA 167 Ca 0.00 -0.67 -0.69 0.00 0.00 0.00 0.00 54.91 53.56 1ish h ALA 167 Cb 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 17.42 1ish h ALA 167 CO 0.00 0.83 -0.67 -0.47 0.00 0.00 0.00 179.25 178.94 1ish s TYR 168 N -3.40 3.26 -0.37 0.00 5.04 -1.26 -4.46 117.35 116.14 1ish s TYR 168 Ca -0.04 -1.70 -0.26 0.00 -2.44 0.00 0.00 57.07 52.63 1ish s TYR 168 Cb 0.10 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.26 1ish s TYR 168 CO 0.83 -0.77 0.95 -2.14 -1.34 0.00 0.00 175.55 173.09 1ish s PRO 169 N 1.31 3.84 0.43 4.97 0.02 -1.26 -4.85 135.00 139.47 1ish s PRO 169 Ca -0.04 0.61 0.30 0.00 0.02 0.00 0.00 61.00 61.89 1ish s PRO 169 Cb -0.20 -3.81 1.52 0.00 0.02 0.00 0.00 34.50 32.03 1ish s PRO 169 CO 0.00 -0.98 1.90 -0.84 -0.33 0.00 0.00 177.00 176.75 1ish h ILE 170 N 5.85 0.00 -3.61 2.83 -0.00 -1.97 -3.32 117.51 117.28 1ish h ILE 170 Ca -0.23 -0.09 -0.65 0.00 -0.00 0.00 0.00 64.86 63.90 1ish h ILE 170 Cb 1.08 0.81 -0.40 0.00 -0.00 0.00 0.00 36.82 38.30 1ish h ILE 170 CO 1.00 0.00 -0.73 -0.54 -0.00 0.00 0.00 178.15 177.88 1ish s LYS 171 N -3.69 1.39 0.06 0.16 -0.14 -1.26 -4.69 119.74 111.57 1ish s LYS 171 Ca -0.02 -1.71 -0.27 0.00 -1.36 0.00 0.00 55.97 52.61 1ish s LYS 171 Cb 0.09 -2.98 0.10 0.00 -1.68 0.00 0.00 37.83 33.35 1ish s LYS 171 CO 0.32 -0.92 1.17 0.20 -0.76 0.00 0.00 175.35 175.36 1ish s GLY 172 N 1.04 -0.23 0.25 -3.33 0.00 -1.25 -5.01 107.32 98.79 1ish s GLY 172 Ca 0.10 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 45.02 1ish s GLY 172 CO -0.11 1.50 1.91 0.74 0.00 0.00 0.00 173.10 177.14 1ish h PHE 173 N 2.00 1.19 -0.41 1.90 -1.00 -1.96 0.56 116.94 119.23 1ish h PHE 173 Ca -0.27 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.50 1ish h PHE 173 Cb 1.21 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 1ish h PHE 173 CO 0.72 0.72 0.09 0.35 -1.61 0.00 0.00 178.31 178.58 1ish h PHE 174 N 1.26 0.70 -0.06 -0.55 3.57 -1.92 0.39 116.94 120.33 1ish h PHE 174 Ca 0.37 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 1ish h PHE 174 Cb -0.07 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.49 1ish h PHE 174 CO -0.01 0.67 -0.50 0.00 -2.23 0.00 0.00 178.31 176.25 1ish h ALA 175 N 0.95 0.15 0.00 2.41 0.00 -1.73 -0.87 119.26 120.15 1ish h ALA 175 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ish h ALA 175 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ish h ALA 175 CO 0.00 0.33 -1.16 -0.25 0.00 0.00 0.00 179.25 178.18 1ish n ASP 176 N -4.27 0.59 0.00 0.00 8.00 0.16 -4.43 116.55 116.61 1ish n ASP 176 Ca -0.09 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1ish n ASP 176 Cb 0.60 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1ish n ASP 176 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ish n TYR 177 N -2.24 0.00 -0.05 1.24 4.02 0.05 -4.81 117.16 115.37 1ish n TYR 177 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1ish n TYR 177 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 1ish n TYR 177 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ish n GLU 178 N -0.60 0.23 -0.19 -0.72 1.02 -0.74 -3.89 120.64 115.76 1ish n GLU 178 Ca 0.00 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1ish n GLU 178 Cb 0.00 -0.89 0.09 0.00 -0.02 0.00 0.00 31.44 30.62 1ish n GLU 178 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ish h ILE 179 N -0.39 0.81 0.00 -3.67 2.04 -1.37 -0.11 117.51 114.81 1ish h ILE 179 Ca -0.27 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1ish h ILE 179 Cb 1.21 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1ish h ILE 179 CO -0.16 0.08 0.00 -2.65 0.00 0.00 0.00 178.15 175.41 1ish n PRO 180 N -4.98 0.11 -0.14 2.37 -0.02 -1.26 -2.61 135.00 128.47 1ish n PRO 180 Ca 0.07 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1ish n PRO 180 Cb 0.24 -1.73 0.14 0.00 -0.02 0.00 0.00 33.50 32.13 1ish n PRO 180 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ish n ASN 181 N -1.95 2.80 -4.72 2.55 3.02 -0.11 -4.96 115.26 111.89 1ish n ASN 181 Ca 0.02 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 1ish n ASN 181 Cb 0.18 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1ish n ASN 181 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ish s LEU 182 N -1.06 4.39 -0.73 3.41 1.43 -0.88 -3.22 118.68 122.02 1ish s LEU 182 Ca 0.24 2.15 -0.24 0.00 -1.03 0.00 0.00 54.13 55.25 1ish s LEU 182 Cb 0.14 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.83 1ish s LEU 182 CO 0.19 -0.49 1.14 -1.10 0.23 0.00 0.00 176.35 176.32 1ish s GLN 183 N 0.72 3.20 0.23 1.70 -1.52 -1.26 -4.90 119.66 117.82 1ish s GLN 183 Ca 0.59 -0.66 -0.10 0.00 -1.95 0.00 0.00 55.36 53.24 1ish s GLN 183 Cb -0.32 -4.32 0.34 0.00 -0.22 0.00 0.00 33.01 28.49 1ish s GLN 183 CO 0.31 -1.98 1.63 -0.22 -0.25 0.00 0.00 175.29 174.79 1ish h LYS 184 N 9.73 0.06 -0.56 2.91 3.64 -1.93 -1.88 116.57 128.54 1ish h LYS 184 Ca -0.23 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1ish h LYS 184 Cb 1.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1ish h LYS 184 CO 1.24 0.04 0.39 1.05 -2.27 0.00 0.00 179.45 179.89 1ish h GLU 185 N 0.06 0.20 -0.42 1.90 9.09 -2.01 -2.39 114.58 121.01 1ish h GLU 185 Ca 0.36 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1ish h GLU 185 Cb 0.59 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1ish h GLU 185 CO -0.65 0.13 0.00 0.36 0.05 0.00 0.00 179.01 178.90 1ish n LYS 186 N -4.44 3.48 -4.12 1.06 2.85 -0.72 -4.92 118.16 111.36 1ish n LYS 186 Ca 0.10 -2.79 -0.35 0.00 -1.05 0.00 0.00 58.31 54.22 1ish n LYS 186 Cb 0.49 -1.85 -0.13 0.00 -0.65 0.00 0.00 35.03 32.89 1ish n LYS 186 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1ish s ILE 187 N -2.31 3.54 -0.09 0.58 1.01 -0.90 -0.76 121.20 122.26 1ish s ILE 187 Ca 0.44 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1ish s ILE 187 Cb 0.32 -2.59 -0.16 0.00 0.01 0.00 0.00 42.46 40.04 1ish s ILE 187 CO 0.15 0.44 0.68 0.71 0.00 0.00 0.00 174.94 176.92 1ish h THR 188 N 5.53 0.98 -2.80 2.92 1.35 -1.37 -3.47 112.91 116.06 1ish h THR 188 Ca -0.37 -1.48 0.05 0.00 -0.55 0.00 0.00 66.41 64.07 1ish h THR 188 Cb 1.18 1.76 -0.10 0.00 -1.73 0.00 0.00 68.15 69.26 1ish h THR 188 CO 0.60 0.30 0.30 0.00 -0.25 0.00 0.00 175.52 176.47 1ish s ARG 189 N -2.70 1.34 -0.19 4.72 1.70 -1.25 -4.54 118.95 118.04 1ish s ARG 189 Ca -0.12 -0.62 -0.00 0.00 -0.47 0.00 0.00 55.73 54.51 1ish s ARG 189 Cb -0.01 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1ish s ARG 189 CO 0.45 -0.60 -0.16 0.42 -1.08 0.00 0.00 175.30 174.33 1ish s ILE 190 N -3.64 2.43 -0.23 4.99 1.01 -0.51 -0.01 121.20 125.23 1ish s ILE 190 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1ish s ILE 190 Cb -0.03 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1ish s ILE 190 CO -0.04 0.51 -0.04 -0.70 0.00 0.00 0.00 174.94 174.66 1ish s GLU 191 N 1.33 3.21 -0.10 2.79 2.12 0.55 -1.41 118.70 127.19 1ish s GLU 191 Ca 0.05 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 54.54 1ish s GLU 191 Cb -0.13 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 1ish s GLU 191 CO -0.10 -0.27 0.23 0.42 -0.54 0.00 0.00 175.26 175.00 1ish s ILE 192 N 1.44 5.34 -0.27 -3.70 -1.09 0.49 -1.54 121.20 121.87 1ish s ILE 192 Ca 0.04 0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.86 1ish s ILE 192 Cb -0.15 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1ish s ILE 192 CO -0.03 0.56 -0.02 0.26 -1.23 0.00 0.00 174.94 174.48 1ish s TRP 193 N -0.70 3.14 -0.50 3.97 0.51 0.18 0.26 118.94 125.80 1ish s TRP 193 Ca 0.17 -1.56 -0.16 0.00 -2.12 0.00 0.00 56.10 52.44 1ish s TRP 193 Cb -0.13 -2.11 0.10 0.00 -0.81 0.00 0.00 33.47 30.52 1ish s TRP 193 CO 0.06 -0.73 0.45 0.08 -0.51 0.00 0.00 176.95 176.30 1ish s VAL 194 N 1.33 5.22 0.08 4.03 1.01 -0.14 -0.52 120.40 131.40 1ish s VAL 194 Ca -0.01 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 1ish s VAL 194 Cb -0.18 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 1ish s VAL 194 CO -0.02 -0.71 0.42 -0.04 0.00 0.00 0.00 175.10 174.74 1ish s MET 195 N 1.64 3.80 0.11 2.72 -1.94 -0.46 -0.79 119.30 124.38 1ish s MET 195 Ca 0.04 0.23 0.11 0.00 -1.71 0.00 0.00 55.69 54.36 1ish s MET 195 Cb -0.27 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 1ish s MET 195 CO 0.05 0.57 -0.27 -1.01 -0.01 0.00 0.00 175.02 174.35 1ish s HIS 196 N -1.37 2.32 0.55 -0.03 3.76 -1.26 0.84 115.29 120.10 1ish s HIS 196 Ca 0.32 -0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.66 1ish s HIS 196 Cb -0.14 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1ish s HIS 196 CO 0.18 0.30 1.17 -1.21 -0.85 0.00 0.00 174.74 174.32 1ish s GLU 197 N -1.88 3.25 -0.15 1.40 0.41 -1.26 -4.86 118.70 115.60 1ish s GLU 197 Ca 0.14 1.74 -0.33 0.00 -0.41 0.00 0.00 54.97 56.11 1ish s GLU 197 Cb -0.10 -2.03 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 1ish s GLU 197 CO 0.05 -0.96 2.02 -0.89 -0.49 0.00 0.00 175.26 174.99 1ish n ILE 198 N -1.30 0.49 0.00 -1.63 2.08 -1.26 -0.21 119.36 117.52 1ish n ILE 198 Ca 0.12 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1ish n ILE 198 Cb 0.50 -2.02 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 1ish n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ish n GLY 199 N 5.07 0.87 3.14 7.39 0.00 -1.26 -4.92 105.19 115.48 1ish n GLY 199 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1ish n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ish n GLY 200 N -1.50 -2.63 3.75 -0.02 0.00 0.70 -4.88 105.19 100.61 1ish n GLY 200 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1ish n GLY 200 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ish s PRO 201 N -3.59 4.37 -1.16 1.61 0.04 -1.26 -4.69 135.00 130.31 1ish s PRO 201 Ca 0.47 2.14 -0.08 0.00 0.04 0.00 0.00 61.00 63.57 1ish s PRO 201 Cb -0.09 -3.14 0.25 0.00 0.04 0.00 0.00 34.50 31.55 1ish s PRO 201 CO 0.49 -0.25 1.48 -1.71 0.04 0.00 0.00 177.00 177.05 1ish n ASN 202 N 2.05 5.70 -0.09 6.66 5.15 -1.26 -4.07 115.26 129.39 1ish n ASN 202 Ca 0.04 -3.18 -0.10 0.00 -0.60 0.00 0.00 54.58 50.74 1ish n ASN 202 Cb 0.42 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.24 1ish n ASN 202 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1ish h VAL 203 N 3.75 1.20 -3.29 3.44 2.07 -1.57 -3.45 116.25 118.40 1ish h VAL 203 Ca 0.26 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1ish h VAL 203 Cb 0.72 1.09 -0.23 0.00 -1.52 0.00 0.00 31.29 31.35 1ish h VAL 203 CO 1.31 0.22 -0.44 -1.61 0.02 0.00 0.00 177.57 177.06 1ish s GLU 204 N -5.39 0.40 0.37 1.57 2.02 -0.88 -5.02 118.70 111.78 1ish s GLU 204 Ca -0.13 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 54.87 1ish s GLU 204 Cb 0.08 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1ish s GLU 204 CO 0.74 -0.08 0.09 -1.12 0.02 0.00 0.00 175.26 174.90 1ish s SER 205 N -0.63 2.60 0.13 -0.19 0.01 -1.26 -4.50 113.70 109.86 1ish s SER 205 Ca -0.07 -1.53 -0.35 0.00 1.31 0.00 0.00 55.95 55.31 1ish s SER 205 Cb -0.04 0.22 -0.16 0.00 0.21 0.00 0.00 66.02 66.25 1ish s SER 205 CO 0.01 -0.77 1.24 0.00 0.41 0.00 0.00 173.24 174.14 1ish n GLY 207 N 2.25 0.52 3.35 0.00 0.00 -1.26 -5.04 105.19 105.01 1ish n GLY 207 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1ish n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ish s GLU 208 N -0.03 1.44 1.88 1.61 2.02 -0.60 -4.56 118.70 120.46 1ish s GLU 208 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1ish s GLU 208 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.44 1ish s GLU 208 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1ish n GLY 209 N 1.23 2.78 0.34 -1.39 0.00 -1.26 -0.59 105.19 106.30 1ish n GLY 209 Ca -0.18 0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.05 1ish n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ish h SER 210 N 0.00 0.00 0.23 1.61 4.64 -1.93 -0.39 113.55 117.70 1ish h SER 210 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1ish h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ish h SER 210 CO 0.00 0.00 -0.36 0.24 -0.87 0.00 0.00 176.83 175.84 1ish h MET 211 N 0.00 0.19 -0.24 4.77 2.07 -1.16 -2.02 114.93 118.54 1ish h MET 211 Ca 0.04 -0.08 -0.15 0.00 -2.07 0.00 0.00 59.70 57.44 1ish h MET 211 Cb 0.63 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 1ish h MET 211 CO -0.00 0.53 -0.47 0.87 1.07 0.00 0.00 176.91 178.91 1ish h LYS 212 N 0.17 0.62 -0.39 1.72 1.57 -1.14 -1.02 116.57 118.10 1ish h LYS 212 Ca 0.02 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1ish h LYS 212 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1ish h LYS 212 CO 0.05 0.96 0.13 0.28 -0.57 0.00 0.00 179.45 180.30 1ish h VAL 213 N 0.49 1.21 0.06 0.50 2.07 -1.50 -0.44 116.25 118.64 1ish h VAL 213 Ca 0.03 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ish h VAL 213 Cb 1.01 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ish h VAL 213 CO 0.09 0.24 -0.03 0.25 0.02 0.00 0.00 177.57 178.14 1ish h LEU 214 N 0.48 -0.06 -0.65 2.57 5.85 -1.30 -1.98 115.31 120.22 1ish h LEU 214 Ca 0.13 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ish h LEU 214 Cb 0.24 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1ish h LEU 214 CO -0.01 0.19 0.36 -0.08 -0.34 0.00 0.00 178.44 178.56 1ish h GLU 215 N -0.32 0.65 -0.40 1.25 4.81 -1.14 0.06 114.58 119.50 1ish h GLU 215 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ish h GLU 215 Cb 0.28 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ish h GLU 215 CO 0.01 0.43 0.26 -0.22 -0.73 0.00 0.00 179.01 178.76 1ish h LYS 216 N 0.67 0.54 0.19 1.92 3.64 -1.00 -0.24 116.57 122.29 1ish h LYS 216 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1ish h LYS 216 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ish h LYS 216 CO -0.18 0.37 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.20 1ish h ARG 217 N 0.54 -0.25 -0.99 1.90 1.12 -0.66 0.23 114.38 116.29 1ish h ARG 217 Ca 0.15 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.10 1ish h ARG 217 Cb -0.04 0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 29.91 1ish h ARG 217 CO -0.03 -0.09 0.64 -0.07 -3.11 0.00 0.00 179.97 177.31 1ish h LEU 218 N -0.35 1.02 -0.29 3.80 3.38 -0.88 -1.33 115.31 120.66 1ish h LEU 218 Ca -0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1ish h LEU 218 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ish h LEU 218 CO 0.04 0.65 -0.38 0.11 0.09 0.00 0.00 178.44 178.95 1ish h LYS 219 N 1.16 0.77 0.00 1.13 1.57 -0.74 -2.17 116.57 118.29 1ish h LYS 219 Ca 0.42 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ish h LYS 219 Cb 0.16 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ish h LYS 219 CO -0.17 1.07 0.00 -0.44 -0.57 0.00 0.00 179.45 179.34 1ish h ASP 220 N 0.53 0.00 0.09 0.86 3.32 0.03 0.74 116.42 121.99 1ish h ASP 220 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ish h ASP 220 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ish h ASP 220 CO 0.09 0.00 -0.11 0.23 -1.72 0.00 0.00 179.24 177.73 1ish n MET 221 N -2.66 1.32 -0.75 3.56 2.81 -0.56 -4.94 117.12 115.91 1ish n MET 221 Ca -0.01 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1ish n MET 221 Cb 0.14 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1ish n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ish n GLY 222 N 1.25 0.57 3.85 3.03 0.00 0.25 -5.06 105.19 109.08 1ish n GLY 222 Ca 0.16 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1ish n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ish s PHE 223 N -2.00 3.38 -0.19 1.61 0.40 -0.85 -5.02 117.98 115.31 1ish s PHE 223 Ca 0.00 1.14 -0.27 0.00 -0.60 0.00 0.00 56.93 57.20 1ish s PHE 223 Cb 0.00 -2.48 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 1ish s PHE 223 CO 0.00 0.13 0.94 -1.14 0.70 0.00 0.00 175.22 175.85 1ish s GLN 224 N -2.97 4.29 0.08 0.44 0.74 -1.26 -4.54 119.66 116.45 1ish s GLN 224 Ca 0.53 1.20 0.04 0.00 0.05 0.00 0.00 55.36 57.18 1ish s GLN 224 Cb -0.10 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 1ish s GLN 224 CO 0.18 -0.46 0.02 -0.47 -0.55 0.00 0.00 175.29 174.02 1ish s TYR 225 N 2.59 3.06 -0.17 1.67 5.04 -1.26 -1.43 117.35 126.84 1ish s TYR 225 Ca 0.42 0.01 -0.19 0.00 -2.44 0.00 0.00 57.07 54.87 1ish s TYR 225 Cb -0.16 -1.57 0.05 0.00 0.35 0.00 0.00 41.96 40.62 1ish s TYR 225 CO 0.11 0.49 0.52 0.45 -1.34 0.00 0.00 175.55 175.78 1ish s SER 226 N -2.26 -0.53 -0.03 4.32 0.15 -0.50 -4.95 113.70 109.91 1ish s SER 226 Ca 0.26 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1ish s SER 226 Cb -0.12 0.98 0.03 0.00 -1.71 0.00 0.00 66.02 65.20 1ish s SER 226 CO 0.19 -0.24 0.01 0.00 1.20 0.00 0.00 173.24 174.40 1ish s ILE 228 N 1.01 1.69 -0.03 0.00 1.01 0.14 -4.94 121.20 120.08 1ish s ILE 228 Ca -0.10 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 1ish s ILE 228 Cb -0.13 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1ish s ILE 228 CO -0.02 0.48 0.84 0.20 0.00 0.00 0.00 174.94 176.44 1ish s ASN 229 N 0.78 7.18 -1.21 3.58 0.01 -1.26 -0.97 114.94 123.05 1ish s ASN 229 Ca -0.10 1.43 -0.20 0.00 -0.71 0.00 0.00 52.86 53.28 1ish s ASN 229 Cb -0.16 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1ish s ASN 229 CO 0.01 -0.19 0.68 0.47 -1.51 0.00 0.00 177.10 176.56 1ish n ASP 230 N 3.83 -3.99 -4.73 -1.22 8.00 0.03 -4.78 116.55 113.69 1ish n ASP 230 Ca 0.02 -1.09 -0.63 0.00 0.71 0.00 0.00 54.79 53.81 1ish n ASP 230 Cb 0.51 -2.87 -0.09 0.00 -0.02 0.00 0.00 41.12 38.66 1ish n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ish n TYR 231 N -4.44 1.91 -0.24 1.24 9.36 -1.26 -4.63 117.16 119.09 1ish n TYR 231 Ca -0.14 0.84 -0.05 0.00 3.32 0.00 0.00 57.90 61.86 1ish n TYR 231 Cb 0.60 -2.35 -0.00 0.00 -0.63 0.00 0.00 39.34 36.97 1ish n TYR 231 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1ish h ARG 232 N 6.13 -0.14 -0.96 2.98 9.65 -1.98 -1.15 114.38 128.91 1ish h ARG 232 Ca -0.45 0.01 0.21 0.00 -1.10 0.00 0.00 59.98 58.64 1ish h ARG 232 Cb 1.34 0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.84 1ish h ARG 232 CO 0.97 -0.09 0.54 -1.35 2.80 0.00 0.00 179.97 182.83 1ish h PRO 233 N -0.15 0.59 -0.02 0.20 0.11 -1.99 0.46 132.00 131.20 1ish h PRO 233 Ca 0.24 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.09 1ish h PRO 233 Cb 0.56 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1ish h PRO 233 CO -0.75 0.39 -0.91 0.28 -0.21 0.00 0.00 178.00 176.80 1ish h VAL 234 N 0.61 1.37 -0.68 3.15 2.07 -1.73 -2.69 116.25 118.35 1ish h VAL 234 Ca 0.58 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1ish h VAL 234 Cb 1.00 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1ish h VAL 234 CO -0.44 0.71 0.38 0.50 0.02 0.00 0.00 177.57 178.73 1ish h LYS 235 N 0.28 0.95 -0.64 1.57 1.63 0.32 -0.88 116.57 119.80 1ish h LYS 235 Ca -0.08 -0.11 0.02 0.00 -0.85 0.00 0.00 60.65 59.64 1ish h LYS 235 Cb 1.54 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 1ish h LYS 235 CO 0.16 0.71 0.42 -0.07 -3.45 0.00 0.00 179.45 177.23 1ish h LEU 236 N 0.93 0.68 -0.32 5.20 3.38 -0.12 0.63 115.31 125.69 1ish h LEU 236 Ca 0.24 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1ish h LEU 236 Cb 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1ish h LEU 236 CO -0.04 0.48 -0.41 0.25 0.09 0.00 0.00 178.44 178.81 1ish h LEU 237 N 0.79 0.92 -0.66 1.67 5.85 -0.96 -2.98 115.31 119.93 1ish h LEU 237 Ca 0.25 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1ish h LEU 237 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1ish h LEU 237 CO -0.06 1.23 0.36 1.56 -0.34 0.00 0.00 178.44 181.18 1ish h GLN 238 N 0.63 0.93 -0.17 1.25 4.20 -0.43 -2.57 115.11 118.95 1ish h GLN 238 Ca 0.04 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1ish h GLN 238 Cb 1.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1ish h GLN 238 CO 0.10 0.70 0.25 0.00 -0.67 0.00 0.00 178.83 179.21 1ish h VAL 240 N 0.00 0.67 -0.29 0.00 2.07 -1.35 0.98 116.25 118.34 1ish h VAL 240 Ca 0.08 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ish h VAL 240 Cb 0.58 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ish h VAL 240 CO -0.00 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.11 1ish n ASP 241 N -4.44 2.85 -2.84 0.57 8.00 -0.92 -4.31 116.55 115.44 1ish n ASP 241 Ca 0.17 -1.90 -0.12 0.00 0.71 0.00 0.00 54.79 53.65 1ish n ASP 241 Cb 0.72 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1ish n ASP 241 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ish n HIS 242 N 1.11 0.33 0.22 1.24 8.25 0.30 -4.96 115.22 121.71 1ish n HIS 242 Ca 0.18 -3.03 0.06 0.00 -0.26 0.00 0.00 57.72 54.67 1ish n HIS 242 Cb 0.52 -0.13 0.54 0.00 1.12 0.00 0.00 29.99 32.03 1ish n HIS 242 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ish h SER 243 N 2.92 0.04 -0.09 0.41 4.64 -1.64 -2.61 113.55 117.22 1ish h SER 243 Ca -0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ish h SER 243 Cb 1.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ish h SER 243 CO 0.44 0.14 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 1ish n THR 244 N -4.40 0.10 -2.64 2.95 -2.24 -1.26 -4.61 114.28 102.18 1ish n THR 244 Ca -0.02 -0.39 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1ish n THR 244 Cb 0.19 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1ish n THR 244 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ish s HIS 245 N -1.90 3.60 0.58 4.78 5.04 -0.98 -4.95 115.29 121.46 1ish s HIS 245 Ca 0.34 1.75 0.28 0.00 -1.54 0.00 0.00 55.06 55.89 1ish s HIS 245 Cb 0.20 -3.08 1.70 0.00 0.04 0.00 0.00 32.58 31.44 1ish s HIS 245 CO 0.31 -0.15 2.19 -1.00 -2.34 0.00 0.00 174.74 173.75 1ish h PRO 246 N 3.32 0.00 0.00 2.88 0.13 -1.91 -0.38 132.00 136.04 1ish h PRO 246 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ish h PRO 246 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ish h PRO 246 CO 0.65 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 1ish n ASP 247 N -3.94 0.57 -0.42 1.44 8.00 -1.26 -3.19 116.55 117.75 1ish n ASP 247 Ca -0.01 0.61 0.04 0.00 0.71 0.00 0.00 54.79 56.14 1ish n ASP 247 Cb 0.16 -0.74 0.08 0.00 -0.02 0.00 0.00 41.12 40.60 1ish n ASP 247 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ish s ALA 249 N -0.86 3.44 0.21 0.00 0.00 -1.11 -4.94 121.76 118.51 1ish s ALA 249 Ca 0.14 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1ish s ALA 249 Cb 0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1ish s ALA 249 CO 0.12 -0.76 0.40 -0.51 0.00 0.00 0.00 175.76 175.00 1ish s LEU 250 N -2.02 4.22 0.00 0.00 1.43 -1.26 -5.10 118.68 115.95 1ish s LEU 250 Ca 0.52 0.37 0.29 0.00 -1.03 0.00 0.00 54.13 54.28 1ish s LEU 250 Cb -0.40 -3.14 1.75 0.00 0.03 0.00 0.00 46.19 44.42 1ish s LEU 250 CO 0.53 -0.06 2.08 0.29 0.23 0.00 0.00 176.35 179.42