#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 4.02 -3.31 -0.99 1.74 -1.22 -4.98 116.66 111.93 1ish n ARG 3 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1ish n ARG 3 Cb 0.00 -0.33 -0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1ish n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ish s ALA 4 N 0.00 4.34 0.45 7.54 0.00 -0.00 -4.96 121.76 129.12 1ish s ALA 4 Ca 0.00 -1.79 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 1ish s ALA 4 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 1ish s ALA 4 CO 0.00 -0.33 1.23 -1.21 0.00 0.00 0.00 175.76 175.45 1ish s GLU 5 N -4.28 3.76 0.91 0.00 2.02 -1.26 -1.60 118.70 118.25 1ish s GLU 5 Ca 0.51 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 57.33 1ish s GLU 5 Cb -0.06 -2.51 0.14 0.00 0.10 0.00 0.00 34.13 31.80 1ish s GLU 5 CO 0.31 -0.59 1.09 0.20 0.02 0.00 0.00 175.26 176.28 1ish s GLY 6 N -1.12 1.62 0.50 -1.39 0.00 -1.25 -2.95 107.32 102.73 1ish s GLY 6 Ca 0.62 0.01 -0.21 0.00 0.00 0.00 0.00 44.72 45.14 1ish s GLY 6 CO 0.41 0.50 0.81 -0.37 0.00 0.00 0.00 173.10 174.44 1ish n THR 7 N -3.97 2.61 -1.91 0.90 5.66 -0.06 -4.67 114.28 112.84 1ish n THR 7 Ca 0.07 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 60.16 1ish n THR 7 Cb 0.55 -0.94 -0.01 0.00 -1.55 0.00 0.00 70.33 68.38 1ish n THR 7 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ish s SER 8 N -1.01 6.50 0.26 1.09 0.01 0.13 -4.66 113.70 116.01 1ish s SER 8 Ca 0.68 2.91 -0.30 0.00 1.31 0.00 0.00 55.95 60.56 1ish s SER 8 Cb -0.50 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 62.98 1ish s SER 8 CO 0.54 -0.76 1.30 0.00 0.41 0.00 0.00 173.24 174.73 1ish s ALA 9 N -1.04 3.52 -1.55 1.44 0.00 -1.26 -2.74 121.76 120.13 1ish s ALA 9 Ca 0.52 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 1ish s ALA 9 Cb -0.44 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ish s ALA 9 CO 0.58 -0.55 0.54 0.72 0.00 0.00 0.00 175.76 177.05 1ish n HIS 10 N 1.85 -1.83 -0.24 0.00 8.25 -1.26 -4.91 115.22 117.09 1ish n HIS 10 Ca 0.03 0.46 0.01 0.00 -0.26 0.00 0.00 57.72 57.97 1ish n HIS 10 Cb 0.42 -4.38 0.09 0.00 1.12 0.00 0.00 29.99 27.24 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 -1.23 -0.58 0.27 2.41 5.85 -1.91 -1.71 115.31 118.41 1ish h LEU 11 Ca -0.52 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1ish h LEU 11 Cb 1.36 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1ish h LEU 11 CO 0.56 -0.22 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.20 1ish h ARG 12 N 0.02 -0.38 -0.39 1.25 2.43 -1.90 0.27 114.38 115.67 1ish h ARG 12 Ca 0.35 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.60 1ish h ARG 12 Cb 0.54 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1ish h ARG 12 CO -0.70 -0.25 0.11 -0.44 -1.51 0.00 0.00 179.97 177.17 1ish h ASP 13 N -0.39 0.07 0.11 -3.80 3.32 -1.86 0.76 116.42 114.62 1ish h ASP 13 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ish h ASP 13 Cb 0.31 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ish h ASP 13 CO 0.05 0.08 -0.10 0.40 -1.72 0.00 0.00 179.24 177.95 1ish h ILE 14 N 0.25 0.78 -0.30 0.35 2.04 -1.17 0.43 117.51 119.89 1ish h ILE 14 Ca 0.19 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 1ish h ILE 14 Cb 0.20 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1ish h ILE 14 CO -0.22 0.00 -0.26 0.15 0.00 0.00 0.00 178.15 177.82 1ish h PHE 15 N -0.22 -0.69 -0.34 1.37 3.57 -0.43 -0.25 116.94 119.95 1ish h PHE 15 Ca 0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1ish h PHE 15 Cb 0.21 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1ish h PHE 15 CO -0.11 -0.33 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.32 1ish h LEU 16 N -0.24 0.70 0.33 0.59 3.38 -0.73 -1.61 115.31 117.73 1ish h LEU 16 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ish h LEU 16 Cb 0.48 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ish h LEU 16 CO -0.44 0.93 -0.16 1.23 0.09 0.00 0.00 178.44 180.09 1ish h GLY 17 N 0.99 -0.46 1.01 0.83 0.00 -0.25 0.45 103.07 105.64 1ish h GLY 17 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ish h GLY 17 CO 0.06 -0.17 0.62 3.21 0.00 0.00 0.00 176.54 180.26 1ish h ARG 18 N -0.45 1.29 -0.18 4.80 3.08 -1.02 -1.14 114.38 120.75 1ish h ARG 18 Ca -0.05 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ish h ARG 18 Cb 0.35 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ish h ARG 18 CO 0.07 0.87 0.10 0.00 -1.07 0.00 0.00 179.97 179.94 1ish h ALA 20 N 1.00 0.93 -0.17 0.00 0.00 -0.49 -2.07 119.26 118.45 1ish h ALA 20 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1ish h ALA 20 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ish h ALA 20 CO -0.01 0.42 -0.34 0.93 0.00 0.00 0.00 179.25 180.25 1ish h GLU 21 N 1.00 0.35 0.00 0.00 5.08 -0.95 -2.80 114.58 117.26 1ish h GLU 21 Ca 0.26 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1ish h GLU 21 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ish h GLU 21 CO -0.05 0.66 -0.54 -0.92 -1.00 0.00 0.00 179.01 177.16 1ish h TYR 22 N 0.30 0.00 -0.99 4.33 3.20 -0.58 -3.03 116.97 120.20 1ish h TYR 22 Ca 0.04 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.06 1ish h TYR 22 Cb 0.75 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 1ish h TYR 22 CO 0.02 0.54 0.62 0.00 -1.64 0.00 0.00 178.16 177.69 1ish h ARG 23 N 0.00 0.83 0.00 1.82 3.08 -1.10 0.12 114.38 119.13 1ish h ARG 23 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ish h ARG 23 Cb 0.96 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1ish h ARG 23 CO 0.07 0.55 -0.02 0.00 -1.07 0.00 0.00 179.97 179.50 1ish h ALA 24 N 1.59 1.53 0.00 0.04 0.00 -1.62 -1.78 119.26 119.02 1ish h ALA 24 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ish h ALA 24 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ish h ALA 24 CO -0.30 0.03 -0.27 -0.07 0.00 0.00 0.00 179.25 178.64 1ish h LEU 25 N 0.00 0.00-10.07 0.00 3.38 -0.89 -3.46 115.31 104.27 1ish h LEU 25 Ca -0.00 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 1ish h LEU 25 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ish h LEU 25 CO 0.00 0.01 0.37 -0.76 0.09 0.00 0.00 178.44 178.15 1ish s LEU 26 N -5.67 3.87 0.39 1.67 1.43 -0.67 -5.02 118.68 114.68 1ish s LEU 26 Ca 0.06 1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 54.74 1ish s LEU 26 Cb 0.08 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 1ish s LEU 26 CO 0.69 -0.63 1.13 -0.94 0.23 0.00 0.00 176.35 176.83 1ish s SER 27 N -2.08 6.64 0.60 2.29 1.04 -1.26 -4.71 113.70 116.22 1ish s SER 27 Ca 0.65 2.27 0.29 0.00 0.48 0.00 0.00 55.95 59.64 1ish s SER 27 Cb -0.14 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.53 1ish s SER 27 CO 0.18 -0.59 1.51 -0.65 0.98 0.00 0.00 173.24 174.67 1ish h PRO 28 N 2.70 0.00 -0.73 4.02 0.11 -1.95 0.11 132.00 136.27 1ish h PRO 28 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1ish h PRO 28 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1ish h PRO 28 CO 0.63 0.00 0.24 0.93 -0.21 0.00 0.00 178.00 179.59 1ish h GLU 29 N 0.00 1.12 0.00 1.05 4.39 -2.03 -3.28 114.58 115.83 1ish h GLU 29 Ca 0.44 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1ish h GLU 29 Cb 2.44 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.92 1ish h GLU 29 CO -0.00 0.94 -0.03 1.04 -1.16 0.00 0.00 179.01 179.80 1ish n GLN 30 N -4.26 1.96 0.09 2.33 6.02 0.28 -4.73 117.38 119.07 1ish n GLN 30 Ca 0.06 -1.84 0.09 0.00 -0.01 0.00 0.00 57.00 55.30 1ish n GLN 30 Cb 0.22 -1.14 0.41 0.00 1.02 0.00 0.00 30.24 30.75 1ish n GLN 30 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ish n ARG 31 N -0.82 0.12 -1.56 -1.09 0.63 -0.52 -4.36 116.66 109.06 1ish n ARG 31 Ca 0.06 0.40 -0.41 0.00 -0.92 0.00 0.00 57.85 56.99 1ish n ARG 31 Cb 0.45 -1.75 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 1ish n ARG 31 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ish n ASN 32 N -1.97 3.15 -4.59 6.15 6.94 -1.26 -4.91 115.26 118.77 1ish n ASN 32 Ca 0.02 -2.74 -0.32 0.00 -0.02 0.00 0.00 54.58 51.51 1ish n ASN 32 Cb 0.17 -1.40 -0.11 0.00 -2.36 0.00 0.00 39.78 36.09 1ish n ASN 32 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ish s LYS 33 N 4.72 2.56 -0.57 -3.83 -0.14 -1.26 -5.08 119.74 116.15 1ish s LYS 33 Ca 0.56 -0.70 -0.08 0.00 -1.36 0.00 0.00 55.97 54.39 1ish s LYS 33 Cb 0.11 -2.50 0.15 0.00 -1.68 0.00 0.00 37.83 33.91 1ish s LYS 33 CO 0.07 0.61 0.44 0.34 -0.76 0.00 0.00 175.35 176.05 1ish s ASP 34 N -1.32 5.77 0.27 2.83 -1.08 -1.26 -4.95 116.67 116.92 1ish s ASP 34 Ca 0.16 -2.30 -0.02 0.00 -0.52 0.00 0.00 52.55 49.87 1ish s ASP 34 Cb -0.11 -2.00 0.43 0.00 -1.46 0.00 0.00 42.92 39.78 1ish s ASP 34 CO 0.06 -0.59 1.86 0.00 0.52 0.00 0.00 175.17 177.03 1ish h THR 36 N 1.10 1.23 -0.39 0.00 2.02 -1.97 0.27 112.91 115.17 1ish h THR 36 Ca 0.44 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1ish h THR 36 Cb 0.25 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1ish h THR 36 CO -0.20 0.28 -0.32 0.00 0.37 0.00 0.00 175.52 175.65 1ish h ALA 37 N 1.08 0.71 -0.79 6.16 0.00 -1.83 -0.54 119.26 124.05 1ish h ALA 37 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1ish h ALA 37 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ish h ALA 37 CO -0.02 0.66 0.37 0.82 0.00 0.00 0.00 179.25 181.09 1ish h ILE 38 N 0.72 1.25 -0.57 0.00 2.04 -0.29 -0.62 117.51 120.04 1ish h ILE 38 Ca 0.08 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1ish h ILE 38 Cb 0.88 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1ish h ILE 38 CO 0.08 0.30 0.10 -0.25 0.00 0.00 0.00 178.15 178.38 1ish h TRP 39 N 1.12 0.98 -0.56 1.37 2.91 -0.07 -2.38 115.95 119.32 1ish h TRP 39 Ca 0.27 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 60.10 1ish h TRP 39 Cb 0.12 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 1ish h TRP 39 CO 0.01 0.86 0.14 0.93 -1.03 0.00 0.00 178.44 179.35 1ish h GLU 40 N 0.82 0.89 -0.50 2.65 4.39 -0.46 -0.66 114.58 121.72 1ish h GLU 40 Ca 0.17 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1ish h GLU 40 Cb 0.40 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1ish h GLU 40 CO 0.01 0.83 0.19 0.00 -1.16 0.00 0.00 179.01 178.88 1ish h ALA 41 N 1.02 1.40 -0.11 3.43 0.00 -1.04 -2.20 119.26 121.76 1ish h ALA 41 Ca 0.18 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1ish h ALA 41 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ish h ALA 41 CO 0.00 0.45 -0.64 0.35 0.00 0.00 0.00 179.25 179.41 1ish h PHE 42 N 0.71 0.54 0.00 0.00 3.57 -1.16 -3.10 116.94 117.51 1ish h PHE 42 Ca 0.17 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ish h PHE 42 Cb 0.16 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1ish h PHE 42 CO 0.01 0.94 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.80 1ish h LYS 43 N 0.30 0.00 -0.45 1.11 3.64 -0.49 -2.73 116.57 117.96 1ish h LYS 43 Ca -0.01 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1ish h LYS 43 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1ish h LYS 43 CO 0.11 0.01 0.32 0.28 -2.27 0.00 0.00 179.45 177.90 1ish h VAL 44 N 0.00 0.80 0.00 2.00 2.07 -1.43 0.20 116.25 119.89 1ish h VAL 44 Ca -0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ish h VAL 44 Cb 0.29 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ish h VAL 44 CO 0.00 0.01 -0.25 0.00 0.02 0.00 0.00 177.57 177.35 1ish h ALA 45 N 1.78 0.87 0.00 1.67 0.00 -1.70 -3.24 119.26 118.63 1ish h ALA 45 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ish h ALA 45 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ish h ALA 45 CO -0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ish n LEU 46 N -3.07 0.17 -1.91 0.00 4.77 0.69 -3.33 117.00 114.31 1ish n LEU 46 Ca 0.03 0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 1ish n LEU 46 Cb 0.58 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1ish n LEU 46 CO 0.36 -0.04 1.01 0.47 -1.33 0.00 0.00 177.39 177.87 1ish n ASP 47 N -1.66 4.58 -4.31 -1.43 8.00 -1.11 -4.23 116.55 116.40 1ish n ASP 47 Ca 0.07 -3.73 -0.16 0.00 0.71 0.00 0.00 54.79 51.67 1ish n ASP 47 Cb 0.36 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 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 -3.47 1.23 0.22 -1.24 1.02 -1.21 -5.09 119.74 111.20 1ish s LYS 48 Ca 0.55 -1.57 -0.32 0.00 0.02 0.00 0.00 55.97 54.65 1ish s LYS 48 Cb 0.46 -0.75 -0.12 0.00 -0.52 0.00 0.00 37.83 36.90 1ish s LYS 48 CO 0.03 0.04 1.67 -3.47 -0.92 0.00 0.00 175.35 172.70 1ish n ASP 49 N -0.33 3.81 0.00 2.83 2.03 -1.26 -4.53 116.55 119.09 1ish n ASP 49 Ca -0.08 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1ish n ASP 49 Cb 0.62 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1ish n ASP 49 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ish n PRO 50 N 3.43 0.00 -0.02 -0.67 -0.04 -1.26 -0.82 135.00 135.61 1ish n PRO 50 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ish n PRO 50 Cb 0.34 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.21 1.50 -4.65 0.00 7.64 0.00 -4.31 113.62 113.59 1ish n SER 52 Ca 0.00 -3.20 -0.38 0.00 1.01 0.00 0.00 58.87 56.31 1ish n SER 52 Cb 0.42 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.16 5.26 0.13 0.44 1.01 -0.56 -4.85 120.40 119.68 1ish s VAL 53 Ca 0.34 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1ish s VAL 53 Cb 0.34 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1ish s VAL 53 CO -0.08 0.27 0.12 -0.76 0.00 0.00 0.00 175.10 174.65 1ish s LEU 54 N 1.35 3.83 0.39 3.92 1.43 -1.26 -4.27 118.68 124.07 1ish s LEU 54 Ca 0.13 -0.07 0.13 0.00 -1.03 0.00 0.00 54.13 53.29 1ish s LEU 54 Cb -0.14 -2.46 0.94 0.00 0.03 0.00 0.00 46.19 44.55 1ish s LEU 54 CO 0.07 0.11 1.89 -0.65 0.23 0.00 0.00 176.35 178.01 1ish h PRO 55 N 2.77 0.53 0.00 1.29 0.11 -1.95 0.31 132.00 135.05 1ish h PRO 55 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ish h PRO 55 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ish h PRO 55 CO 0.65 0.35 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 1ish h SER 56 N 0.54 0.00 0.54 -2.05 4.64 -1.95 -1.73 113.55 113.55 1ish h SER 56 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1ish h SER 56 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1ish h SER 56 CO -0.16 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.27 1ish n ASP 57 N -2.76 0.40 -1.32 4.97 8.00 0.11 -1.75 116.55 124.21 1ish n ASP 57 Ca -0.00 0.61 0.09 0.00 0.71 0.00 0.00 54.79 56.20 1ish n ASP 57 Cb 0.19 -0.69 0.31 0.00 -0.02 0.00 0.00 41.12 40.91 1ish n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ish n TYR 58 N -1.95 1.19 -0.16 1.24 4.02 -0.65 -4.60 117.16 116.25 1ish n TYR 58 Ca 0.02 -0.61 -0.06 0.00 -0.01 0.00 0.00 57.90 57.24 1ish n TYR 58 Cb 0.18 -0.19 0.03 0.00 -0.02 0.00 0.00 39.34 39.34 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 3.49 0.48 -0.26 7.72 3.32 -1.48 -1.07 116.42 128.62 1ish h ASP 59 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ish h ASP 59 Cb 1.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1ish h ASP 59 CO 0.16 0.34 0.05 -0.07 -1.72 0.00 0.00 179.24 178.01 1ish h LEU 60 N 0.59 0.40 -0.57 1.55 3.38 -1.83 0.24 115.31 119.07 1ish h LEU 60 Ca 0.19 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ish h LEU 60 Cb 0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1ish h LEU 60 CO -0.08 0.54 0.06 0.15 0.09 0.00 0.00 178.44 179.20 1ish h PHE 61 N 0.24 0.07 -0.18 1.13 3.57 -1.71 0.40 116.94 120.46 1ish h PHE 61 Ca 0.08 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ish h PHE 61 Cb 0.31 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1ish h PHE 61 CO 0.02 -0.09 0.05 0.82 -2.23 0.00 0.00 178.31 176.88 1ish h ILE 62 N 0.18 1.20 -0.65 1.41 1.08 -0.95 -2.14 117.51 117.63 1ish h ILE 62 Ca 0.30 -0.62 0.12 0.00 -0.39 0.00 0.00 64.86 64.26 1ish h ILE 62 Cb 0.45 1.27 -0.09 0.00 -3.07 0.00 0.00 36.82 35.39 1ish h ILE 62 CO -0.44 0.19 0.20 0.74 -0.69 0.00 0.00 178.15 178.16 1ish h THR 63 N 0.11 0.67 0.00 -0.27 2.02 0.24 0.37 112.91 116.04 1ish h THR 63 Ca 0.06 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ish h THR 63 Cb 0.25 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1ish h THR 63 CO -0.00 0.06 0.00 -0.07 0.37 0.00 0.00 175.52 175.88 1ish h LEU 64 N 0.35 0.00 0.00 2.58 3.38 -0.84 -3.33 115.31 117.44 1ish h LEU 64 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1ish h LEU 64 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ish h LEU 64 CO -0.39 0.00 -0.46 -1.54 0.09 0.00 0.00 178.44 176.14 1ish n SER 65 N -3.02 0.63 -4.68 -0.43 3.41 -0.75 -4.74 113.62 104.04 1ish n SER 65 Ca 0.03 -0.62 -0.38 0.00 -0.26 0.00 0.00 58.87 57.63 1ish n SER 65 Cb 0.43 1.03 0.05 0.00 -0.26 0.00 0.00 64.21 65.46 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 -1.24 1.32 -3.73 4.33 0.63 0.12 -4.44 116.66 113.65 1ish n ARG 66 Ca 0.01 0.49 -0.07 0.00 -0.92 0.00 0.00 57.85 57.36 1ish n ARG 66 Cb 0.13 -2.37 -0.02 0.00 0.45 0.00 0.00 32.46 30.65 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 -1.37 -0.26 0.62 -0.14 -3.43 -1.26 -5.04 115.29 104.41 1ish s HIS 67 Ca 0.73 -0.10 -0.15 0.00 -0.80 0.00 0.00 55.06 54.74 1ish s HIS 67 Cb -0.43 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.36 1ish s HIS 67 CO 0.48 -1.05 1.07 -1.54 -2.00 0.00 0.00 174.74 171.71 1ish s SER 68 N -2.86 5.53 -0.13 7.38 1.04 -1.26 -5.05 113.70 118.34 1ish s SER 68 Ca 0.09 1.86 0.02 0.00 0.48 0.00 0.00 55.95 58.40 1ish s SER 68 Cb -0.04 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ish s SER 68 CO 0.01 -1.34 -0.19 -0.63 0.98 0.00 0.00 173.24 172.07 1ish s ILE 69 N -2.46 2.38 0.33 -1.02 1.01 -1.26 -5.09 121.20 115.10 1ish s ILE 69 Ca 0.64 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 1ish s ILE 69 Cb -0.17 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 40.21 1ish s ILE 69 CO 0.40 0.54 1.36 -2.65 0.00 0.00 0.00 174.94 174.58 1ish n PRO 70 N 3.83 2.26 -1.71 2.79 -0.02 -1.26 -4.81 135.00 136.08 1ish n PRO 70 Ca -0.19 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1ish n PRO 70 Cb 0.52 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ish n PRO 70 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ish n ARG 71 N 0.79 2.24 -0.80 -0.52 0.63 -1.26 -1.80 116.66 115.94 1ish n ARG 71 Ca 0.05 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1ish n ARG 71 Cb 0.36 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1ish n ARG 71 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ish n ASP 72 N 0.69 -0.91 -0.55 6.15 8.00 -0.21 -4.84 116.55 124.88 1ish n ASP 72 Ca 0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.64 1ish n ASP 72 Cb 0.37 -1.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.07 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 -1.80 1.48 -2.31 -1.24 4.76 -0.74 -4.78 118.16 113.54 1ish n LYS 73 Ca 0.00 -1.13 -0.36 0.00 -2.87 0.00 0.00 58.31 53.95 1ish n LYS 73 Cb 0.05 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.24 6.05 -0.20 4.39 0.01 -1.26 0.55 113.70 121.00 1ish s SER 74 Ca 0.19 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 59.60 1ish s SER 74 Cb 0.17 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.90 1ish s SER 74 CO 0.48 -0.99 0.21 -0.22 0.41 0.00 0.00 173.24 173.12 1ish s LEU 75 N -3.36 -0.05 0.43 2.44 2.96 -1.26 -3.21 118.68 116.63 1ish s LEU 75 Ca 0.67 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1ish s LEU 75 Cb -0.25 0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.74 1ish s LEU 75 CO 0.29 -0.33 0.63 -0.36 -1.32 0.00 0.00 176.35 175.26 1ish s PHE 76 N 2.30 3.16 0.14 5.38 0.40 0.42 -4.39 117.98 125.40 1ish s PHE 76 Ca 0.06 0.09 -0.25 0.00 -0.60 0.00 0.00 56.93 56.24 1ish s PHE 76 Cb -0.16 -2.26 0.08 0.00 0.51 0.00 0.00 43.02 41.19 1ish s PHE 76 CO -0.13 -0.31 1.05 1.67 0.70 0.00 0.00 175.22 178.20 1ish s TRP 77 N -2.47 -0.03 -0.20 0.36 1.48 -1.26 -0.09 118.94 116.72 1ish s TRP 77 Ca 0.48 -0.28 -0.20 0.00 -1.06 0.00 0.00 56.10 55.05 1ish s TRP 77 Cb -0.10 0.65 0.06 0.00 -1.16 0.00 0.00 33.47 32.91 1ish s TRP 77 CO 0.36 -0.77 0.57 -1.21 -4.06 0.00 0.00 176.95 171.84 1ish s GLU 78 N -2.70 0.68 -1.50 3.25 0.41 -0.79 -4.82 118.70 113.24 1ish s GLU 78 Ca 0.17 0.75 -0.08 0.00 -0.41 0.00 0.00 54.97 55.39 1ish s GLU 78 Cb -0.01 0.33 0.06 0.00 -1.78 0.00 0.00 34.13 32.73 1ish s GLU 78 CO 0.03 -0.09 0.71 0.09 -0.49 0.00 0.00 175.26 175.51 1ish n ASN 79 N 2.66 -2.43 -1.65 -0.19 3.02 -1.26 -3.51 115.26 111.91 1ish n ASN 79 Ca -0.14 -0.91 -0.03 0.00 -0.03 0.00 0.00 54.58 53.47 1ish n ASN 79 Cb 0.56 -3.39 0.03 0.00 -0.61 0.00 0.00 39.78 36.37 1ish n ASN 79 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ish n SER 80 N -2.88 -0.85 -0.13 6.41 3.41 -1.26 -4.51 113.62 113.82 1ish n SER 80 Ca -0.12 -1.61 -0.06 0.00 -0.26 0.00 0.00 58.87 56.82 1ish n SER 80 Cb 0.59 0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1ish n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1ish h HIS 81 N 0.38 -0.79 -0.68 7.33 6.17 -1.98 -0.01 115.15 125.57 1ish h HIS 81 Ca -0.34 0.06 -0.07 0.00 0.71 0.00 0.00 60.37 60.72 1ish h HIS 81 Cb 1.16 0.41 -0.03 0.00 2.52 0.00 0.00 27.41 31.47 1ish h HIS 81 CO -0.13 -0.36 0.13 -0.07 0.71 0.00 0.00 177.93 178.22 1ish h LEU 82 N -0.21 1.05 -0.56 0.26 3.38 -1.99 -1.41 115.31 115.83 1ish h LEU 82 Ca 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ish h LEU 82 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ish h LEU 82 CO -0.54 1.03 0.16 0.25 0.09 0.00 0.00 178.44 179.42 1ish h LEU 83 N 1.04 0.83 -0.35 1.67 5.85 -1.84 -1.60 115.31 120.91 1ish h LEU 83 Ca 0.21 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ish h LEU 83 Cb 0.41 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ish h LEU 83 CO 0.01 0.83 0.17 0.58 -0.34 0.00 0.00 178.44 179.69 1ish h VAL 84 N 0.79 1.16 -0.77 1.05 2.07 -0.81 -0.07 116.25 119.67 1ish h VAL 84 Ca 0.18 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ish h VAL 84 Cb 0.31 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1ish h VAL 84 CO -0.00 0.17 0.39 0.78 0.02 0.00 0.00 177.57 178.92 1ish h ASN 85 N 0.43 0.99 -0.33 0.57 -0.26 -1.05 -0.33 115.58 115.61 1ish h ASN 85 Ca 0.12 -0.12 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1ish h ASN 85 Cb 0.11 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1ish h ASN 85 CO -0.02 0.84 -0.22 0.28 -1.06 0.00 0.00 177.43 177.25 1ish h SER 86 N 1.08 0.77 -0.09 5.81 0.02 -1.10 -2.77 113.55 117.27 1ish h SER 86 Ca 0.27 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1ish h SER 86 Cb 0.09 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1ish h SER 86 CO -0.04 1.04 0.01 0.15 -1.14 0.00 0.00 176.83 176.86 1ish h PHE 87 N 0.51 0.17 -0.74 3.45 3.04 -0.84 -2.70 116.94 119.83 1ish h PHE 87 Ca 0.07 -0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.17 1ish h PHE 87 Cb 0.78 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 1ish h PHE 87 CO 0.06 0.36 0.51 0.00 -2.02 0.00 0.00 178.31 177.23 1ish h ALA 88 N 0.78 2.39 -6.16 2.41 0.00 -1.10 -3.41 119.26 114.17 1ish h ALA 88 Ca 0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.51 1ish h ALA 88 Cb 0.29 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.18 1ish h ALA 88 CO 0.00 -0.60 -0.93 -3.47 0.00 0.00 0.00 179.25 174.25 1ish n ASP 89 N -4.41 -5.45 -4.03 0.00 2.03 -1.02 -1.63 116.55 102.04 1ish n ASP 89 Ca 0.15 -0.99 -0.30 0.00 0.52 0.00 0.00 54.79 54.16 1ish n ASP 89 Cb 0.66 -3.52 -0.03 0.00 -0.72 0.00 0.00 41.12 37.51 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 -2.71 -1.02 0.00 1.67 5.15 -1.26 -1.45 115.26 115.64 1ish n ASN 90 Ca -0.09 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 1ish n ASN 90 Cb 0.59 -2.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 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 -4.50 0.00 0.35 -0.44 -1.04 -1.18 -4.94 114.28 102.52 1ish n THR 91 Ca -0.27 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.56 1ish n THR 91 Cb 0.66 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.08 1ish n THR 91 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1ish h ARG 92 N 1.89 -1.04 0.00 -2.82 3.08 -1.09 -3.37 114.38 111.02 1ish h ARG 92 Ca 0.00 0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1ish h ARG 92 Cb 0.00 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ish h ARG 92 CO 0.00 -0.70 -0.51 0.00 -1.07 0.00 0.00 179.97 177.69 1ish h ARG 93 N -1.08 0.00 -4.55 0.04 3.08 -1.52 -3.50 114.38 106.85 1ish h ARG 93 Ca -0.08 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.74 1ish h ARG 93 Cb 0.91 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.81 1ish h ARG 93 CO 0.00 0.67 -0.61 -0.06 -1.07 0.00 0.00 179.97 178.91 1ish s PHE 94 N -2.16 1.12 -0.67 3.04 0.40 -1.21 -4.98 117.98 113.52 1ish s PHE 94 Ca -0.18 -1.35 0.05 0.00 -0.60 0.00 0.00 56.93 54.84 1ish s PHE 94 Cb 0.01 -0.53 0.19 0.00 0.51 0.00 0.00 43.02 43.20 1ish s PHE 94 CO 0.47 -0.65 0.53 -0.12 0.70 0.00 0.00 175.22 176.15 1ish n MET 95 N -0.27 1.80 -1.07 0.44 1.56 0.19 -3.84 117.12 115.94 1ish n MET 95 Ca 0.02 -4.39 -0.29 0.00 -0.27 0.00 0.00 57.70 52.76 1ish n MET 95 Cb 0.66 -2.21 0.21 0.00 2.15 0.00 0.00 33.22 34.03 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 -1.53 -0.42 0.39 2.12 0.04 -1.26 -4.09 135.00 130.26 1ish s PRO 96 Ca 0.29 0.29 0.11 0.00 0.04 0.00 0.00 61.00 61.73 1ish s PRO 96 Cb 0.00 -1.66 0.91 0.00 0.04 0.00 0.00 34.50 33.80 1ish s PRO 96 CO -0.14 -3.25 1.92 1.25 0.04 0.00 0.00 177.00 176.82 1ish h LEU 97 N -2.26 0.52 -0.12 -3.56 5.85 -1.95 0.17 115.31 113.97 1ish h LEU 97 Ca -0.52 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ish h LEU 97 Cb 1.32 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1ish h LEU 97 CO 0.48 0.29 0.00 -1.54 -0.34 0.00 0.00 178.44 177.33 1ish n SER 98 N -4.50 0.13 -1.45 1.25 3.41 -1.26 -2.39 113.62 108.80 1ish n SER 98 Ca 0.14 0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 59.16 1ish n SER 98 Cb 0.42 -0.56 0.15 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.64 3.49 -4.14 4.04 8.00 0.59 -3.42 116.55 123.48 1ish n ASP 99 Ca 0.04 -3.80 -0.22 0.00 0.71 0.00 0.00 54.79 51.52 1ish n ASP 99 Cb 0.20 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.55 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 -3.72 1.20 0.12 2.53 1.01 -1.01 -4.72 120.40 115.81 1ish s VAL 100 Ca 0.48 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1ish s VAL 100 Cb 0.42 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1ish s VAL 100 CO -0.00 0.24 1.42 0.25 0.00 0.00 0.00 175.10 177.01 1ish h LEU 101 N 5.47 -1.64 -2.30 3.92 5.85 -1.85 0.24 115.31 125.01 1ish h LEU 101 Ca -0.36 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ish h LEU 101 Cb 1.16 0.71 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 1ish h LEU 101 CO 0.47 -0.21 0.05 0.10 -0.34 0.00 0.00 178.44 178.50 1ish h TYR 102 N -0.08 0.00 0.15 1.25 -0.00 -1.89 -1.91 116.97 114.50 1ish h TYR 102 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.51 1ish h TYR 102 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.09 1ish h TYR 102 CO -0.93 0.00 -1.67 0.78 -0.00 0.00 0.00 178.16 176.34 1ish h GLY 103 N 0.00 0.37 0.60 0.10 0.00 -1.35 -3.37 103.07 99.41 1ish h GLY 103 Ca 0.02 -0.95 0.07 0.00 0.00 0.00 0.00 47.33 46.47 1ish h GLY 103 CO -0.00 0.83 0.29 -0.09 0.00 0.00 0.00 176.54 177.57 1ish h ARG 104 N 0.09 0.52 0.00 4.80 9.65 0.23 -1.14 114.38 128.52 1ish h ARG 104 Ca -0.30 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1ish h ARG 104 Cb 2.06 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1ish h ARG 104 CO 0.17 0.34 0.00 -0.39 2.80 0.00 0.00 179.97 182.89 1ish h VAL 105 N 0.54 0.00 -0.00 0.20 -1.51 -1.63 -3.12 116.25 110.73 1ish h VAL 105 Ca 0.28 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 1ish h VAL 105 Cb 0.23 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1ish h VAL 105 CO -0.21 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.05 1ish n ALA 106 N -1.95 2.53 -1.69 5.19 0.00 -0.74 -4.63 120.51 119.22 1ish n ALA 106 Ca -0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 53.44 52.51 1ish n ALA 106 Cb 0.17 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.21 2.67 0.00 0.00 4.64 -0.51 -1.33 116.55 121.81 1ish n ASP 107 Ca 0.02 1.05 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 1ish n ASP 107 Cb 0.11 -1.23 0.00 0.00 -1.04 0.00 0.00 41.12 38.96 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 5.38 0.00 -2.11 -0.67 3.01 -1.26 -5.01 117.46 116.80 1ish n PHE 108 Ca 0.24 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.43 1ish n PHE 108 Cb 0.19 -0.41 0.06 0.00 -0.01 0.00 0.00 39.48 39.32 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 2.82 0.02 4.37 1.43 -0.44 -5.07 118.68 121.81 1ish s LEU 109 Ca 0.00 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1ish s LEU 109 Cb 0.00 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ish s LEU 109 CO 0.00 -1.54 -0.04 -0.55 0.23 0.00 0.00 176.35 174.45 1ish s SER 110 N -4.47 0.44 -0.00 2.29 0.15 -1.26 -4.98 113.70 105.87 1ish s SER 110 Ca 0.59 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.59 1ish s SER 110 Cb -0.11 0.04 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 1ish s SER 110 CO 0.47 -0.16 0.73 -1.66 1.20 0.00 0.00 173.24 173.81 1ish s TRP 111 N -0.98 -0.55 0.00 3.44 -2.14 -1.26 0.18 118.94 117.64 1ish s TRP 111 Ca -0.09 0.73 0.00 0.00 2.66 0.00 0.00 56.10 59.40 1ish s TRP 111 Cb -0.07 0.47 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 1ish s TRP 111 CO -0.00 -0.63 0.00 0.00 -2.66 0.00 0.00 176.95 173.66 1ish s ARG 113 N -1.81 3.26 0.67 0.00 3.52 -1.26 -1.65 118.95 121.68 1ish s ARG 113 Ca 0.00 0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 55.86 1ish s ARG 113 Cb 0.00 -2.17 0.01 0.00 -1.56 0.00 0.00 34.95 31.23 1ish s ARG 113 CO 0.00 -0.63 1.10 -0.65 -0.81 0.00 0.00 175.30 174.30 1ish s GLN 114 N -5.09 2.79 0.07 5.12 -0.21 -0.19 -4.47 119.66 117.68 1ish s GLN 114 Ca 0.54 1.30 -0.26 0.00 0.02 0.00 0.00 55.36 56.96 1ish s GLN 114 Cb -0.11 -1.96 -0.12 0.00 1.00 0.00 0.00 33.01 31.83 1ish s GLN 114 CO 0.50 -1.25 1.41 0.87 -2.12 0.00 0.00 175.29 174.70 1ish h LYS 115 N -0.16 -0.63 -0.01 2.91 1.79 -1.96 -3.33 116.57 115.18 1ish h LYS 115 Ca -0.46 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1ish h LYS 115 Cb 1.24 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1ish h LYS 115 CO 0.54 -0.42 -0.32 0.00 -1.08 0.00 0.00 179.45 178.17 1ish n ALA 116 N -2.73 3.06 -2.40 3.86 0.00 -1.26 -4.87 120.51 116.17 1ish n ALA 116 Ca -0.08 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 1ish n ALA 116 Cb 0.32 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.64 5.90 0.13 0.00 2.15 -1.25 -5.03 116.67 116.93 1ish s ASP 117 Ca 0.07 -0.02 0.19 0.00 0.43 0.00 0.00 52.55 53.22 1ish s ASP 117 Cb 0.09 -1.31 -0.07 0.00 -0.30 0.00 0.00 42.92 41.32 1ish s ASP 117 CO 0.33 -0.55 0.95 0.77 -0.17 0.00 0.00 175.17 176.50 1ish h SER 118 N 0.70 0.00 -4.22 -0.34 4.64 -1.95 -3.34 113.55 109.03 1ish h SER 118 Ca -0.46 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.41 1ish h SER 118 Cb 1.26 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.48 1ish h SER 118 CO 0.54 0.34 0.32 -0.83 -0.87 0.00 0.00 176.83 176.33 1ish s GLY 119 N -4.60 1.60 0.48 -0.77 0.00 -1.26 -4.73 107.32 98.03 1ish s GLY 119 Ca -0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 44.72 43.86 1ish s GLY 119 CO 0.80 -0.05 1.02 1.08 0.00 0.00 0.00 173.10 175.94 1ish s LEU 120 N -6.02 3.84 -0.50 0.66 1.43 -1.26 -1.02 118.68 115.81 1ish s LEU 120 Ca 0.65 1.85 -0.16 0.00 -1.03 0.00 0.00 54.13 55.43 1ish s LEU 120 Cb -0.13 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.63 1ish s LEU 120 CO 0.53 -0.69 0.48 -0.62 0.23 0.00 0.00 176.35 176.27 1ish s ASP 121 N -2.13 6.17 0.00 2.29 -1.08 -0.66 -4.63 116.67 116.64 1ish s ASP 121 Ca 0.65 -1.36 0.28 0.00 -0.52 0.00 0.00 52.55 51.60 1ish s ASP 121 Cb -0.14 -2.22 1.01 0.00 -1.46 0.00 0.00 42.92 40.11 1ish s ASP 121 CO 0.20 -0.76 1.72 -1.22 0.52 0.00 0.00 175.17 175.62 1ish n TYR 122 N 5.45 0.00 0.09 -5.34 4.02 -1.26 -0.88 117.16 119.24 1ish n TYR 122 Ca -0.12 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.54 1ish n TYR 122 Cb 0.43 -0.10 -0.15 0.00 -0.02 0.00 0.00 39.34 39.50 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 1.29 0.44 -1.73 -0.72 5.75 -1.90 -3.36 115.11 114.88 1ish h GLN 123 Ca 0.00 -0.75 0.22 0.00 -0.15 0.00 0.00 58.65 57.97 1ish h GLN 123 Cb 0.44 0.28 -0.17 0.00 1.07 0.00 0.00 27.48 29.10 1ish h GLN 123 CO 0.00 1.36 0.71 -1.54 -2.65 0.00 0.00 178.83 176.71 1ish s SER 124 N -7.38 -0.19 0.07 -0.69 1.04 -1.26 -3.83 113.70 101.47 1ish s SER 124 Ca -0.14 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1ish s SER 124 Cb 0.05 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1ish s SER 124 CO 0.88 -0.38 -0.08 0.00 0.98 0.00 0.00 173.24 174.64 1ish s PRO 126 N -2.37 2.66 0.54 0.00 0.04 -1.26 -0.82 135.00 133.77 1ish s PRO 126 Ca -0.01 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1ish s PRO 126 Cb -0.05 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1ish s PRO 126 CO -0.01 -1.40 0.25 0.95 0.04 0.00 0.00 177.00 176.83 1ish s THR 127 N -2.03 1.44 0.51 1.26 -4.23 -1.26 -4.69 115.64 106.63 1ish s THR 127 Ca 0.72 -1.68 0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1ish s THR 127 Cb -0.25 -2.12 0.34 0.00 1.34 0.00 0.00 72.50 71.80 1ish s THR 127 CO 0.40 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.30 1ish h SER 128 N 0.96 0.07 0.43 3.99 4.64 -1.91 -1.23 113.55 120.50 1ish h SER 128 Ca -0.39 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.70 1ish h SER 128 Cb 1.31 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ish h SER 128 CO 0.63 0.04 -0.97 -0.33 -0.87 0.00 0.00 176.83 175.33 1ish h GLU 129 N 0.07 0.35 -0.39 4.77 4.39 -1.97 -3.24 114.58 118.56 1ish h GLU 129 Ca 0.16 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 1ish h GLU 129 Cb 0.55 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1ish h GLU 129 CO -0.01 1.09 -0.28 -0.44 -1.16 0.00 0.00 179.01 178.21 1ish h ASP 130 N 0.18 0.85 0.00 1.42 3.32 -1.63 -3.46 116.42 117.11 1ish h ASP 130 Ca -0.08 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1ish h ASP 130 Cb 1.62 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1ish h ASP 130 CO 0.16 1.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.76 1ish h GLU 132 N 0.00 0.39 -2.55 0.00 4.81 -1.79 -3.34 114.58 112.10 1ish h GLU 132 Ca 0.00 -0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.63 1ish h GLU 132 Cb 0.00 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1ish h GLU 132 CO 0.00 0.40 2.07 0.09 -0.73 0.00 0.00 179.01 180.84 1ish n ASN 133 N -4.79 7.46 -4.89 1.04 3.02 -1.26 -4.73 115.26 111.11 1ish n ASN 133 Ca -0.02 -2.74 -0.29 0.00 -0.03 0.00 0.00 54.58 51.50 1ish n ASN 133 Cb 0.11 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 37.82 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 1.55 6.43 0.23 6.41 4.22 -1.25 -1.49 114.94 131.03 1ish s ASN 134 Ca 0.65 0.98 -0.07 0.00 -2.14 0.00 0.00 52.86 52.28 1ish s ASN 134 Cb 0.24 -2.26 0.34 0.00 1.28 0.00 0.00 41.25 40.85 1ish s ASN 134 CO -0.07 -0.41 1.77 -0.65 -2.04 0.00 0.00 177.10 175.70 1ish h PRO 135 N 1.04 0.54 -0.12 3.55 0.11 -1.83 -2.18 132.00 133.11 1ish h PRO 135 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1ish h PRO 135 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ish h PRO 135 CO 0.64 0.36 -0.10 0.28 -0.21 0.00 0.00 178.00 178.96 1ish h VAL 136 N 0.56 1.35 -0.67 3.15 2.07 -1.93 -1.48 116.25 119.29 1ish h VAL 136 Ca 0.35 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1ish h VAL 136 Cb 0.40 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1ish h VAL 136 CO -0.29 0.35 0.09 0.44 0.02 0.00 0.00 177.57 178.19 1ish h ASP 137 N -0.11 1.07 0.19 0.57 3.32 -1.89 -1.95 116.42 117.63 1ish h ASP 137 Ca 0.02 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 1ish h ASP 137 Cb 0.61 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1ish h ASP 137 CO 0.03 1.07 -0.38 0.28 -1.72 0.00 0.00 179.24 178.52 1ish h SER 138 N 1.04 0.27 0.54 6.45 0.02 -1.43 -1.80 113.55 118.63 1ish h SER 138 Ca 0.20 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1ish h SER 138 Cb 0.46 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1ish h SER 138 CO 0.02 0.63 -0.26 0.15 -1.14 0.00 0.00 176.83 176.23 1ish h PHE 139 N 0.23 -0.67 -0.05 3.45 3.57 -0.87 -2.26 116.94 120.34 1ish h PHE 139 Ca 0.02 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ish h PHE 139 Cb 0.77 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1ish h PHE 139 CO 0.01 -0.37 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.17 1ish h TRP 140 N -0.83 0.07 -0.07 0.41 4.06 -1.28 0.13 115.95 118.44 1ish h TRP 140 Ca -0.07 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1ish h TRP 140 Cb 0.60 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1ish h TRP 140 CO -0.02 0.14 0.01 0.87 -3.56 0.00 0.00 178.44 175.88 1ish h LYS 141 N 0.07 0.12 -0.39 0.49 1.57 -1.23 0.13 116.57 117.34 1ish h LYS 141 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ish h LYS 141 Cb 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1ish h LYS 141 CO 0.01 0.37 0.24 -0.09 -0.57 0.00 0.00 179.45 179.41 1ish h ARG 142 N -0.15 0.52 -0.68 3.15 9.65 -0.79 -1.63 114.38 124.45 1ish h ARG 142 Ca 0.02 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1ish h ARG 142 Cb 0.31 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1ish h ARG 142 CO 0.00 0.37 0.16 0.00 2.80 0.00 0.00 179.97 183.30 1ish h ALA 143 N 1.12 1.00 -0.33 2.80 0.00 -0.68 -2.51 119.26 120.66 1ish h ALA 143 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ish h ALA 143 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ish h ALA 143 CO -0.03 0.65 0.14 0.77 0.00 0.00 0.00 179.25 180.78 1ish h SER 144 N 1.02 0.45 -0.20 0.00 0.02 -0.50 -1.09 113.55 113.25 1ish h SER 144 Ca 0.21 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1ish h SER 144 Cb 0.36 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1ish h SER 144 CO 0.00 0.49 -0.00 0.40 -1.14 0.00 0.00 176.83 176.58 1ish h ILE 145 N 0.39 0.86 -0.33 3.27 2.04 -1.17 -0.95 117.51 121.62 1ish h ILE 145 Ca 0.11 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1ish h ILE 145 Cb 0.17 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1ish h ILE 145 CO -0.01 0.01 0.13 -0.61 0.00 0.00 0.00 178.15 177.67 1ish h GLN 146 N 0.06 0.50 -0.92 2.37 5.75 -1.30 -0.83 115.11 120.74 1ish h GLN 146 Ca 0.09 -0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1ish h GLN 146 Cb 0.12 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 1ish h GLN 146 CO -0.16 0.50 0.58 -0.92 -2.65 0.00 0.00 178.83 176.17 1ish h TYR 147 N 0.39 1.06 0.10 3.99 3.20 -0.97 -0.65 116.97 124.08 1ish h TYR 147 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ish h TYR 147 Cb 0.19 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1ish h TYR 147 CO -0.00 0.51 -0.05 0.77 -1.64 0.00 0.00 178.16 177.75 1ish h SER 148 N 1.01 -0.11 -0.78 -2.11 0.02 -0.88 -2.81 113.55 107.89 1ish h SER 148 Ca 0.42 -0.38 0.17 0.00 -0.84 0.00 0.00 61.79 61.15 1ish h SER 148 Cb 0.25 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1ish h SER 148 CO -0.20 0.35 0.52 0.11 -1.14 0.00 0.00 176.83 176.48 1ish h LYS 149 N -0.61 0.36 -0.15 3.45 1.57 -0.82 -1.66 116.57 118.72 1ish h LYS 149 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ish h LYS 149 Cb 0.49 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ish h LYS 149 CO 0.02 0.24 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 1ish n ASP 150 N -4.47 2.02 -4.88 0.86 8.00 -0.28 -4.79 116.55 113.00 1ish n ASP 150 Ca 0.15 -1.73 -0.29 0.00 0.71 0.00 0.00 54.79 53.63 1ish n ASP 150 Cb 0.59 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.70 6.41 0.20 -2.24 0.01 -0.62 -4.41 113.70 111.35 1ish s SER 151 Ca 0.34 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.49 1ish s SER 151 Cb 0.19 -2.32 0.05 0.00 0.21 0.00 0.00 66.02 64.15 1ish s SER 151 CO 0.29 -0.52 0.82 -0.94 0.41 0.00 0.00 173.24 173.30 1ish s SER 152 N -3.58 -0.26 0.22 2.44 1.04 -1.26 -4.78 113.70 107.52 1ish s SER 152 Ca 0.51 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ish s SER 152 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ish s SER 152 CO 0.38 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ish n GLY 153 N -0.44 0.77 3.68 7.32 0.00 -0.58 -1.05 105.19 114.89 1ish n GLY 153 Ca -0.06 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 4.79 -0.16 1.61 1.01 -1.26 -0.54 120.40 125.85 1ish s VAL 154 Ca 0.00 1.94 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 1ish s VAL 154 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1ish s VAL 154 CO 0.00 -0.02 0.39 -0.63 0.00 0.00 0.00 175.10 174.85 1ish s ILE 155 N 2.23 5.23 0.04 2.22 -1.09 0.09 -4.18 121.20 125.73 1ish s ILE 155 Ca 0.45 0.74 0.04 0.00 -2.23 0.00 0.00 60.65 59.65 1ish s ILE 155 Cb -0.17 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1ish s ILE 155 CO 0.15 0.31 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.12 1ish s HIS 156 N 0.85 2.91 -0.05 3.97 3.76 -1.20 -0.26 115.29 125.26 1ish s HIS 156 Ca 0.21 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 1ish s HIS 156 Cb -0.14 -1.57 0.04 0.00 1.11 0.00 0.00 32.58 32.02 1ish s HIS 156 CO 0.07 0.42 0.10 0.08 -0.85 0.00 0.00 174.74 174.56 1ish s VAL 157 N -1.12 -0.11 -0.25 -0.90 1.01 -0.52 -0.43 120.40 118.08 1ish s VAL 157 Ca 0.20 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1ish s VAL 157 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1ish s VAL 157 CO 0.11 0.12 0.06 -0.32 0.00 0.00 0.00 175.10 175.07 1ish s MET 158 N 1.58 3.65 0.19 2.72 1.75 0.87 0.17 119.30 130.23 1ish s MET 158 Ca -0.04 -0.48 0.10 0.00 -1.25 0.00 0.00 55.69 54.03 1ish s MET 158 Cb -0.12 -3.31 -0.04 0.00 2.84 0.00 0.00 34.83 34.20 1ish s MET 158 CO -0.05 -0.17 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.46 1ish s LEU 159 N 1.57 2.65 -0.44 4.11 1.43 -0.37 -1.88 118.68 125.75 1ish s LEU 159 Ca 0.06 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1ish s LEU 159 Cb -0.15 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ish s LEU 159 CO 0.03 0.11 0.42 0.21 0.23 0.00 0.00 176.35 177.35 1ish s ASN 160 N -2.78 6.17 0.00 2.29 3.84 -1.23 -1.09 114.94 122.14 1ish s ASN 160 Ca 0.23 -0.87 0.21 0.00 0.21 0.00 0.00 52.86 52.64 1ish s ASN 160 Cb -0.08 -2.21 1.16 0.00 -0.55 0.00 0.00 41.25 39.57 1ish s ASN 160 CO 0.12 -0.60 1.76 0.61 -2.79 0.00 0.00 177.10 176.20 1ish n GLY 161 N 5.14 -0.81 0.71 1.21 0.00 0.15 -2.84 105.19 108.76 1ish n GLY 161 Ca -0.09 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 2.61 -4.66 1.61 7.64 -1.25 -1.72 113.62 117.19 1ish n SER 162 Ca 0.16 -1.76 -0.42 0.00 1.01 0.00 0.00 58.87 57.85 1ish n SER 162 Cb 0.11 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.22 4.19 0.26 1.43 2.56 -1.13 -4.81 118.70 119.97 1ish s GLU 163 Ca 0.23 2.00 -0.04 0.00 0.00 0.00 0.00 54.97 57.16 1ish s GLU 163 Cb 0.14 -3.91 0.53 0.00 2.00 0.00 0.00 34.13 32.89 1ish s GLU 163 CO 0.20 -0.81 1.66 -1.35 -0.56 0.00 0.00 175.26 174.41 1ish h PRO 164 N 9.11 0.20 -0.03 4.30 0.11 -1.92 -0.95 132.00 142.82 1ish h PRO 164 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ish h PRO 164 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ish h PRO 164 CO 0.96 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 179.13 1ish n THR 165 N -5.23 0.04 0.00 -1.15 -2.24 -1.26 -4.99 114.28 99.45 1ish n THR 165 Ca 0.16 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1ish n THR 165 Cb 0.53 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.86 2.88 0.25 3.38 0.00 -0.36 -4.90 105.19 107.31 1ish n GLY 166 Ca 0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 1.30 -2.94 4.61 0.00 -1.78 -3.40 119.26 117.06 1ish h ALA 167 Ca 0.00 -0.25 -0.71 0.00 0.00 0.00 0.00 54.91 53.95 1ish h ALA 167 Cb 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 17.34 1ish h ALA 167 CO 0.00 0.47 -0.49 -0.47 0.00 0.00 0.00 179.25 178.76 1ish s TYR 168 N -4.77 3.50 -0.29 0.00 5.04 -1.26 -4.39 117.35 115.17 1ish s TYR 168 Ca -0.07 -2.13 -0.29 0.00 -2.44 0.00 0.00 57.07 52.14 1ish s TYR 168 Cb 0.15 -3.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 1ish s TYR 168 CO 0.77 -0.97 1.59 -2.14 -1.34 0.00 0.00 175.55 173.46 1ish s PRO 169 N 1.25 3.65 0.26 4.97 0.02 -1.26 -4.84 135.00 139.05 1ish s PRO 169 Ca 0.06 1.42 0.19 0.00 0.02 0.00 0.00 61.00 62.69 1ish s PRO 169 Cb -0.24 -4.06 0.98 0.00 0.02 0.00 0.00 34.50 31.20 1ish s PRO 169 CO -0.02 -1.47 1.57 -0.89 -0.33 0.00 0.00 177.00 175.86 1ish n ILE 170 N 6.77 1.15 -3.93 2.83 5.41 -1.26 -4.10 119.36 126.23 1ish n ILE 170 Ca 0.19 0.64 -0.28 0.00 1.00 0.00 0.00 62.75 64.30 1ish n ILE 170 Cb 0.46 -1.62 -0.17 0.00 -0.71 0.00 0.00 39.64 37.60 1ish n ILE 170 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1ish s LYS 171 N -3.44 1.70 0.00 0.38 2.36 -1.26 -4.77 119.74 114.71 1ish s LYS 171 Ca -0.01 -0.40 0.00 0.00 -2.55 0.00 0.00 55.97 53.00 1ish s LYS 171 Cb 0.06 -1.83 0.00 0.00 -1.05 0.00 0.00 37.83 35.01 1ish s LYS 171 CO 0.19 -0.30 0.00 0.41 1.55 0.00 0.00 175.35 177.20 1ish n GLY 172 N 4.88 0.40 0.37 5.54 0.00 -1.26 -4.97 105.19 110.15 1ish n GLY 172 Ca -0.13 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.80 1ish n GLY 172 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ish h PHE 173 N 0.00 1.13 -0.09 1.61 -1.00 -1.96 0.83 116.94 117.46 1ish h PHE 173 Ca 0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1ish h PHE 173 Cb 0.00 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.18 1ish h PHE 173 CO 0.00 0.62 -0.01 0.35 -1.61 0.00 0.00 178.31 177.67 1ish h PHE 174 N 1.14 0.18 -0.15 -0.55 3.57 -1.92 0.53 116.94 119.74 1ish h PHE 174 Ca 0.39 -0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.64 1ish h PHE 174 Cb 0.09 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1ish h PHE 174 CO -0.00 0.44 -0.74 0.00 -2.23 0.00 0.00 178.31 175.78 1ish h ALA 175 N 0.71 0.39 0.00 2.41 0.00 -1.77 -1.03 119.26 119.97 1ish h ALA 175 Ca 0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1ish h ALA 175 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ish h ALA 175 CO 0.01 0.70 -1.42 -0.25 0.00 0.00 0.00 179.25 178.29 1ish n ASP 176 N -3.92 0.73 0.00 0.00 8.00 0.27 -4.51 116.55 117.12 1ish n ASP 176 Ca -0.06 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1ish n ASP 176 Cb 0.73 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.77 0.00 -0.10 1.24 4.02 0.11 -4.81 117.16 114.85 1ish n TYR 177 Ca -0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.66 1ish n TYR 177 Cb 0.76 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.03 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 -1.03 0.54 -0.26 -0.72 1.02 -0.78 -4.17 120.64 115.24 1ish n GLU 178 Ca 0.00 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.43 1ish n GLU 178 Cb 0.00 -1.44 0.20 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.99 0.50 0.00 -3.67 2.04 -1.43 0.12 117.51 114.09 1ish h ILE 179 Ca -0.20 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ish h ILE 179 Cb 1.17 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1ish h ILE 179 CO -0.12 0.05 0.00 -0.65 0.00 0.00 0.00 178.15 177.43 1ish h PRO 180 N 0.29 0.00 -0.26 2.37 0.11 -1.80 -2.85 132.00 129.85 1ish h PRO 180 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1ish h PRO 180 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ish h PRO 180 CO -0.52 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.36 1ish n ASN 181 N -3.08 2.87 -4.75 -2.05 3.02 0.36 -4.95 115.26 106.69 1ish n ASN 181 Ca -0.01 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 1ish n ASN 181 Cb 0.20 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.20 4.46 -0.44 3.41 1.43 -0.83 -3.37 118.68 122.14 1ish s LEU 182 Ca 0.27 2.39 -0.14 0.00 -1.03 0.00 0.00 54.13 55.62 1ish s LEU 182 Cb 0.16 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1ish s LEU 182 CO 0.22 -0.38 0.34 -1.10 0.23 0.00 0.00 176.35 175.65 1ish s GLN 183 N -0.91 2.90 0.26 1.70 -0.21 -1.26 -4.96 119.66 117.17 1ish s GLN 183 Ca 0.50 -1.28 -0.02 0.00 0.02 0.00 0.00 55.36 54.58 1ish s GLN 183 Cb -0.35 -4.00 0.44 0.00 1.00 0.00 0.00 33.01 30.10 1ish s GLN 183 CO 0.42 -0.93 1.85 -0.22 -2.12 0.00 0.00 175.29 174.29 1ish h LYS 184 N 8.64 0.99 -1.04 2.91 3.64 -1.93 -2.49 116.57 127.27 1ish h LYS 184 Ca -0.27 -0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.33 1ish h LYS 184 Cb 1.11 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 1ish h LYS 184 CO 0.81 0.65 0.70 1.05 -2.27 0.00 0.00 179.45 180.39 1ish h GLU 185 N 1.02 0.25 -0.26 1.90 9.09 -2.02 -0.65 114.58 123.91 1ish h GLU 185 Ca 0.44 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.78 1ish h GLU 185 Cb 0.31 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.32 1ish h GLU 185 CO -0.22 0.16 -0.02 0.36 0.05 0.00 0.00 179.01 179.35 1ish n LYS 186 N -4.47 2.39 -5.05 1.06 2.85 -0.95 -4.97 118.16 109.02 1ish n LYS 186 Ca 0.24 -2.92 -0.32 0.00 -1.05 0.00 0.00 58.31 54.26 1ish n LYS 186 Cb 0.96 -1.80 -0.15 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.97 2.54 -0.11 0.58 1.01 -0.25 -1.52 121.20 120.47 1ish s ILE 187 Ca 0.42 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1ish s ILE 187 Cb 0.35 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1ish s ILE 187 CO 0.05 0.56 0.02 0.74 0.00 0.00 0.00 174.94 176.31 1ish h THR 188 N 5.05 0.12 -2.76 2.92 2.02 -1.10 -3.46 112.91 115.69 1ish h THR 188 Ca -0.32 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 65.84 1ish h THR 188 Cb 1.19 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 1ish h THR 188 CO 0.50 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.75 1ish s ARG 189 N -1.73 1.43 -0.12 6.66 1.70 -1.24 -4.52 118.95 121.13 1ish s ARG 189 Ca -0.04 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.51 1ish s ARG 189 Cb 0.00 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 1ish s ARG 189 CO 0.09 -0.65 -0.16 0.42 -1.08 0.00 0.00 175.30 173.93 1ish s ILE 190 N -3.64 2.79 -0.13 4.99 1.01 -0.18 -0.74 121.20 125.30 1ish s ILE 190 Ca 0.08 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1ish s ILE 190 Cb -0.03 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1ish s ILE 190 CO -0.00 0.53 -0.19 -0.70 0.00 0.00 0.00 174.94 174.58 1ish s GLU 191 N 0.34 2.70 -0.03 2.79 2.12 0.64 -1.78 118.70 125.48 1ish s GLU 191 Ca -0.13 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 1ish s GLU 191 Cb -0.16 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1ish s GLU 191 CO 0.07 -0.05 0.06 0.42 -0.54 0.00 0.00 175.26 175.22 1ish s ILE 192 N 0.92 4.66 -0.28 -3.70 -1.09 -0.29 -1.44 121.20 119.99 1ish s ILE 192 Ca -0.06 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1ish s ILE 192 Cb -0.15 -3.09 0.07 0.00 -1.58 0.00 0.00 42.46 37.71 1ish s ILE 192 CO -0.02 0.42 -0.08 0.26 -1.23 0.00 0.00 174.94 174.29 1ish s TRP 193 N -1.12 3.34 -0.53 3.97 0.51 0.13 -0.64 118.94 124.60 1ish s TRP 193 Ca 0.20 -2.40 -0.19 0.00 -2.12 0.00 0.00 56.10 51.59 1ish s TRP 193 Cb -0.12 -2.10 0.07 0.00 -0.81 0.00 0.00 33.47 30.51 1ish s TRP 193 CO 0.11 -0.89 0.67 0.08 -0.51 0.00 0.00 176.95 176.41 1ish s VAL 194 N 1.08 4.83 -0.04 4.03 1.01 0.25 -1.24 120.40 130.32 1ish s VAL 194 Ca -0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1ish s VAL 194 Cb -0.20 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1ish s VAL 194 CO -0.05 -0.91 0.36 -0.04 0.00 0.00 0.00 175.10 174.46 1ish s MET 195 N 2.74 3.89 0.05 2.72 -1.94 -0.25 -0.34 119.30 126.17 1ish s MET 195 Ca 0.15 0.30 0.07 0.00 -1.71 0.00 0.00 55.69 54.51 1ish s MET 195 Cb -0.20 -3.24 -0.03 0.00 2.01 0.00 0.00 34.83 33.36 1ish s MET 195 CO 0.11 0.64 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.57 1ish s HIS 196 N -0.86 2.57 0.67 -0.03 3.76 -1.26 0.34 115.29 120.49 1ish s HIS 196 Ca 0.22 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 1ish s HIS 196 Cb -0.16 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1ish s HIS 196 CO 0.11 0.28 1.26 -1.21 -0.85 0.00 0.00 174.74 174.33 1ish s GLU 197 N -1.56 2.45 0.11 1.40 0.41 -1.26 -4.87 118.70 115.38 1ish s GLU 197 Ca 0.15 1.96 -0.31 0.00 -0.41 0.00 0.00 54.97 56.37 1ish s GLU 197 Cb -0.11 -1.85 -0.10 0.00 -1.78 0.00 0.00 34.13 30.30 1ish s GLU 197 CO 0.06 -1.65 1.81 0.42 -0.49 0.00 0.00 175.26 175.41 1ish s ILE 198 N -1.58 2.62 0.00 -1.63 -1.09 -1.26 -1.29 121.20 116.98 1ish s ILE 198 Ca 0.80 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1ish s ILE 198 Cb -0.35 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ish s ILE 198 CO 0.41 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1ish n GLY 199 N 4.21 0.99 3.06 6.18 0.00 -1.26 -4.90 105.19 113.47 1ish n GLY 199 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -2.98 3.76 -0.02 0.00 -0.41 -4.89 105.19 100.65 1ish n GLY 200 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.30 4.47 -1.17 1.61 0.04 -1.26 -4.69 135.00 131.70 1ish s PRO 201 Ca 0.40 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 1ish s PRO 201 Cb 0.05 -3.07 0.24 0.00 0.04 0.00 0.00 34.50 31.76 1ish s PRO 201 CO 0.67 0.01 1.71 -1.71 0.04 0.00 0.00 177.00 177.72 1ish n ASN 202 N 0.90 6.00 0.04 6.66 5.15 -1.26 -4.11 115.26 128.63 1ish n ASN 202 Ca 0.00 -3.29 -0.11 0.00 -0.60 0.00 0.00 54.58 50.58 1ish n ASN 202 Cb 0.44 -1.36 -0.04 0.00 -0.53 0.00 0.00 39.78 38.29 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 3.45 0.64 -3.75 3.44 2.07 -1.65 -3.44 116.25 117.01 1ish h VAL 203 Ca 0.32 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.65 1ish h VAL 203 Cb 0.59 0.64 -0.24 0.00 -1.52 0.00 0.00 31.29 30.76 1ish h VAL 203 CO 1.46 0.00 -0.65 -1.61 0.02 0.00 0.00 177.57 176.79 1ish s GLU 204 N -6.14 0.23 0.33 1.57 2.02 -0.80 -4.99 118.70 110.92 1ish s GLU 204 Ca -0.14 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1ish s GLU 204 Cb 0.09 0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1ish s GLU 204 CO 0.67 -0.04 0.08 -1.12 0.02 0.00 0.00 175.26 174.86 1ish s SER 205 N -0.84 2.24 0.25 -0.19 0.01 -1.26 -4.55 113.70 109.37 1ish s SER 205 Ca -0.09 -1.44 -0.28 0.00 1.31 0.00 0.00 55.95 55.45 1ish s SER 205 Cb -0.06 0.09 -0.15 0.00 0.21 0.00 0.00 66.02 66.11 1ish s SER 205 CO -0.00 -0.70 0.81 0.00 0.41 0.00 0.00 173.24 173.76 1ish n GLY 207 N 1.55 0.38 3.35 0.00 0.00 -1.26 -5.01 105.19 104.19 1ish n GLY 207 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.58 1.59 1.52 1.61 2.02 -0.29 -4.62 118.70 119.96 1ish s GLU 208 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1ish s GLU 208 Cb 0.00 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1ish s GLU 208 CO 0.00 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1ish n GLY 209 N 1.41 2.72 0.36 -1.39 0.00 -1.26 -0.42 105.19 106.61 1ish n GLY 209 Ca -0.17 0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 0.21 1.61 4.64 -1.93 0.16 113.55 118.24 1ish h SER 210 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 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 -0.19 0.24 -0.87 0.00 0.00 176.83 176.01 1ish h MET 211 N 0.00 0.00 -0.49 4.77 2.07 -1.06 -1.25 114.93 118.97 1ish h MET 211 Ca 0.13 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.71 1ish h MET 211 Cb 0.80 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.51 1ish h MET 211 CO -0.00 0.19 0.09 0.87 1.07 0.00 0.00 176.91 179.12 1ish h LYS 212 N 0.00 0.81 0.01 1.72 1.57 -0.70 -1.93 116.57 118.04 1ish h LYS 212 Ca -0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ish h LYS 212 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ish h LYS 212 CO 0.02 0.81 -0.00 0.28 -0.57 0.00 0.00 179.45 179.99 1ish h VAL 213 N 0.68 1.08 -0.32 0.50 2.07 -1.30 -1.41 116.25 117.55 1ish h VAL 213 Ca 0.15 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ish h VAL 213 Cb 0.38 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1ish h VAL 213 CO 0.01 0.06 0.21 0.25 0.02 0.00 0.00 177.57 178.12 1ish h LEU 214 N -0.11 0.36 -0.19 2.57 5.85 -1.23 0.68 115.31 123.24 1ish h LEU 214 Ca -0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ish h LEU 214 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ish h LEU 214 CO 0.00 0.26 0.09 -0.08 -0.34 0.00 0.00 178.44 178.37 1ish h GLU 215 N 0.43 0.19 -0.54 1.25 4.81 -1.29 -0.70 114.58 118.74 1ish h GLU 215 Ca 0.12 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1ish h GLU 215 Cb -0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1ish h GLU 215 CO -0.03 0.12 0.05 -0.22 -0.73 0.00 0.00 179.01 178.20 1ish h LYS 216 N 0.19 0.88 -0.18 1.92 3.64 -0.99 0.06 116.57 122.09 1ish h LYS 216 Ca 0.08 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1ish h LYS 216 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1ish h LYS 216 CO -0.06 0.84 0.06 -0.09 -2.27 0.00 0.00 179.45 177.93 1ish h ARG 217 N 0.82 0.28 -0.63 1.90 2.43 -0.45 0.43 114.38 119.17 1ish h ARG 217 Ca 0.16 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1ish h ARG 217 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1ish h ARG 217 CO 0.01 0.38 0.12 -0.07 -1.51 0.00 0.00 179.97 178.91 1ish h LEU 218 N 0.13 0.95 -0.52 3.80 3.38 -0.91 -2.14 115.31 119.99 1ish h LEU 218 Ca 0.06 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1ish h LEU 218 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ish h LEU 218 CO -0.00 0.94 -0.31 0.11 0.09 0.00 0.00 178.44 179.26 1ish h LYS 219 N 0.95 0.86 0.00 1.13 1.57 -0.83 -2.06 116.57 118.19 1ish h LYS 219 Ca 0.20 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1ish h LYS 219 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ish h LYS 219 CO 0.01 1.05 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.41 1ish h ASP 220 N 0.72 0.00 0.75 0.86 3.32 -0.63 -0.15 116.42 121.30 1ish h ASP 220 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ish h ASP 220 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1ish h ASP 220 CO 0.08 0.09 -0.18 0.23 -1.72 0.00 0.00 179.24 177.73 1ish n MET 221 N -3.73 0.09 -0.28 3.56 2.81 -0.83 -4.94 117.12 113.81 1ish n MET 221 Ca -0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1ish n MET 221 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.47 0.84 3.89 3.03 0.00 -0.07 -5.08 105.19 109.27 1ish n GLY 222 Ca 0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 3.46 0.09 1.61 0.40 -0.81 -5.03 117.98 115.70 1ish s PHE 223 Ca 0.00 0.86 -0.25 0.00 -0.60 0.00 0.00 56.93 56.94 1ish s PHE 223 Cb 0.00 -2.28 -0.06 0.00 0.51 0.00 0.00 43.02 41.19 1ish s PHE 223 CO 0.00 0.08 0.77 -0.65 0.70 0.00 0.00 175.22 176.12 1ish s GLN 224 N -3.50 4.51 0.01 0.44 -1.52 -1.26 -4.48 119.66 113.86 1ish s GLN 224 Ca 0.48 1.09 0.04 0.00 -1.95 0.00 0.00 55.36 55.02 1ish s GLN 224 Cb -0.11 -3.32 -0.01 0.00 -0.22 0.00 0.00 33.01 29.35 1ish s GLN 224 CO 0.28 0.40 -0.12 -0.47 -0.25 0.00 0.00 175.29 175.14 1ish s TYR 225 N -0.50 1.05 0.00 0.91 5.04 -1.26 -1.02 117.35 121.57 1ish s TYR 225 Ca 0.37 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.62 1ish s TYR 225 Cb -0.21 -0.65 0.01 0.00 0.35 0.00 0.00 41.96 41.46 1ish s TYR 225 CO 0.24 -0.00 0.24 -1.54 -1.34 0.00 0.00 175.55 173.15 1ish s SER 226 N -0.64 -0.09 -0.00 4.32 1.04 -0.73 -4.98 113.70 112.61 1ish s SER 226 Ca 0.02 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1ish s SER 226 Cb -0.06 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 1ish s SER 226 CO 0.00 -0.46 -0.04 0.00 0.98 0.00 0.00 173.24 173.72 1ish s ILE 228 N -0.12 1.07 -0.08 0.00 1.01 0.19 -4.94 121.20 118.33 1ish s ILE 228 Ca 0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1ish s ILE 228 Cb -0.02 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1ish s ILE 228 CO -0.00 0.34 0.73 0.20 0.00 0.00 0.00 174.94 176.21 1ish s ASN 229 N 0.63 7.01 -1.17 3.58 0.01 -1.26 -0.59 114.94 123.15 1ish s ASN 229 Ca -0.13 1.21 -0.21 0.00 -0.71 0.00 0.00 52.86 53.02 1ish s ASN 229 Cb -0.15 -2.43 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1ish s ASN 229 CO 0.03 -0.16 0.76 0.47 -1.51 0.00 0.00 177.10 176.69 1ish n ASP 230 N 3.97 -4.82 -4.73 -1.22 8.00 0.53 -4.77 116.55 113.52 1ish n ASP 230 Ca -0.00 -1.05 -0.65 0.00 0.71 0.00 0.00 54.79 53.80 1ish n ASP 230 Cb 0.51 -3.18 -0.09 0.00 -0.02 0.00 0.00 41.12 38.34 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 -4.30 1.75 -0.29 1.24 9.36 -1.26 -4.57 117.16 119.09 1ish n TYR 231 Ca -0.11 1.02 -0.05 0.00 3.32 0.00 0.00 57.90 62.08 1ish n TYR 231 Cb 0.59 -2.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 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 5.31 -0.10 -0.79 2.98 9.65 -1.98 0.05 114.38 129.50 1ish h ARG 232 Ca -0.45 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.55 1ish h ARG 232 Cb 1.36 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.88 1ish h ARG 232 CO 0.95 -0.06 0.41 -1.35 2.80 0.00 0.00 179.97 182.72 1ish h PRO 233 N -0.10 0.63 -0.24 0.20 0.11 -2.00 0.71 132.00 131.31 1ish h PRO 233 Ca 0.26 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.17 1ish h PRO 233 Cb 0.56 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1ish h PRO 233 CO -0.82 0.42 -0.51 0.28 -0.21 0.00 0.00 178.00 177.15 1ish h VAL 234 N 0.65 1.30 -0.51 3.15 2.07 -1.61 -2.63 116.25 118.67 1ish h VAL 234 Ca 0.40 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1ish h VAL 234 Cb 0.48 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ish h VAL 234 CO -0.30 0.55 0.33 0.50 0.02 0.00 0.00 177.57 178.67 1ish h LYS 235 N 0.53 0.66 -0.85 1.57 1.63 0.00 -0.87 116.57 119.24 1ish h LYS 235 Ca 0.02 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1ish h LYS 235 Cb 1.07 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.49 1ish h LYS 235 CO 0.10 0.43 0.52 -0.07 -3.45 0.00 0.00 179.45 176.99 1ish h LEU 236 N 0.68 0.81 -0.41 5.20 3.38 -0.75 0.31 115.31 124.52 1ish h LEU 236 Ca 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ish h LEU 236 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ish h LEU 236 CO -0.05 0.52 0.18 0.25 0.09 0.00 0.00 178.44 179.43 1ish h LEU 237 N 0.95 0.56 -0.81 1.67 5.85 -0.99 -2.26 115.31 120.28 1ish h LEU 237 Ca 0.37 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1ish h LEU 237 Cb 0.18 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1ish h LEU 237 CO -0.18 0.56 0.51 1.56 -0.34 0.00 0.00 178.44 180.56 1ish h GLN 238 N 0.53 0.96 -0.19 1.25 4.20 -0.47 -2.40 115.11 118.98 1ish h GLN 238 Ca 0.14 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.85 1ish h GLN 238 Cb 0.17 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ish h GLN 238 CO -0.01 0.63 0.19 0.00 -0.67 0.00 0.00 178.83 178.97 1ish h VAL 240 N 0.00 0.50 -0.52 0.00 2.07 -1.19 0.18 116.25 117.29 1ish h VAL 240 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ish h VAL 240 Cb 0.48 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1ish h VAL 240 CO -0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1ish n ASP 241 N -4.16 3.63 -2.71 0.57 8.00 -1.00 -4.37 116.55 116.51 1ish n ASP 241 Ca 0.18 -1.99 -0.06 0.00 0.71 0.00 0.00 54.79 53.63 1ish n ASP 241 Cb 0.97 -0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 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 1.51 0.33 0.12 1.24 8.25 0.58 -4.97 115.22 122.28 1ish n HIS 242 Ca 0.21 -2.41 0.16 0.00 -0.26 0.00 0.00 57.72 55.42 1ish n HIS 242 Cb 0.60 0.13 0.71 0.00 1.12 0.00 0.00 29.99 32.55 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 2.59 0.00 0.25 0.41 4.64 -1.61 -1.74 113.55 118.08 1ish h SER 243 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1ish h SER 243 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ish h SER 243 CO 0.28 0.00 -0.43 0.35 -0.87 0.00 0.00 176.83 176.16 1ish n THR 244 N -4.28 0.00 -2.21 2.95 -2.24 -1.26 -4.60 114.28 102.64 1ish n THR 244 Ca 0.04 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1ish n THR 244 Cb 0.41 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.68 3.19 0.58 4.78 5.04 -0.65 -4.91 115.29 120.64 1ish s HIS 245 Ca 0.18 1.46 0.28 0.00 -1.54 0.00 0.00 55.06 55.44 1ish s HIS 245 Cb 0.18 -3.58 1.55 0.00 0.04 0.00 0.00 32.58 30.77 1ish s HIS 245 CO 0.61 -1.56 2.01 -1.00 -2.34 0.00 0.00 174.74 172.46 1ish h PRO 246 N 3.68 0.00 0.00 2.88 0.13 -1.91 0.12 132.00 136.90 1ish h PRO 246 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ish h PRO 246 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ish h PRO 246 CO 0.67 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 1ish h ASP 247 N 0.00 0.00 -0.37 1.44 3.32 -1.91 -3.12 116.42 115.78 1ish h ASP 247 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ish h ASP 247 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1ish h ASP 247 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1ish s ALA 249 N -1.01 3.48 0.52 0.00 0.00 -1.14 -4.92 121.76 118.69 1ish s ALA 249 Ca 0.26 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1ish s ALA 249 Cb 0.14 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1ish s ALA 249 CO 0.18 -0.46 0.91 -0.51 0.00 0.00 0.00 175.76 175.87 1ish s LEU 250 N -0.07 3.54 0.00 0.00 1.43 -1.26 -5.10 118.68 117.22 1ish s LEU 250 Ca 0.55 1.27 0.30 0.00 -1.03 0.00 0.00 54.13 55.22 1ish s LEU 250 Cb -0.34 -4.24 1.78 0.00 0.03 0.00 0.00 46.19 43.42 1ish s LEU 250 CO 0.37 -0.64 2.11 1.17 0.23 0.00 0.00 176.35 179.59