#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itb n LYS 7 N 0.00 0.00 -3.54 0.00 5.02 -0.60 -4.92 118.16 114.12 1itb n LYS 7 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1itb n LYS 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1itb n LYS 7 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1itb s GLU 8 N 2.52 0.67 0.01 1.97 -1.05 -1.07 -4.73 118.70 117.02 1itb s GLU 8 Ca 0.00 -0.09 -0.01 0.00 -0.15 0.00 0.00 54.97 54.72 1itb s GLU 8 Cb 0.00 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1itb s GLU 8 CO 0.00 -0.26 0.00 1.03 0.95 0.00 0.00 175.26 176.98 1itb s ARG 9 N -2.18 0.32 0.00 -4.83 0.52 -1.12 -4.91 118.95 106.74 1itb s ARG 9 Ca 0.02 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1itb s ARG 9 Cb -0.01 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.58 1itb s ARG 9 CO -0.04 -0.06 0.00 0.39 0.02 0.00 0.00 175.30 175.61 1itb n GLU 10 N 1.70 0.00 -0.17 3.54 1.02 -1.26 -3.00 120.64 122.47 1itb n GLU 10 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1itb n GLU 10 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1itb n GLU 10 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1itb n GLU 11 N 0.00 0.00 0.18 3.49 -0.58 -1.26 -3.64 120.64 118.83 1itb n GLU 11 Ca 0.00 0.06 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1itb n GLU 11 Cb 0.00 -0.17 0.35 0.00 -0.57 0.00 0.00 31.44 31.05 1itb n GLU 11 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1itb h LYS 12 N 0.00 0.00 -6.27 3.49 2.10 -1.92 -3.43 116.57 110.53 1itb h LYS 12 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 1itb h LYS 12 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 1itb h LYS 12 CO 0.00 0.40 1.13 -1.50 -2.00 0.00 0.00 179.45 177.48 1itb s ILE 13 N -3.92 3.69 -0.27 0.07 -1.16 -1.26 -4.97 121.20 113.37 1itb s ILE 13 Ca -0.02 0.78 -0.13 0.00 -0.51 0.00 0.00 60.65 60.77 1itb s ILE 13 Cb 0.13 -3.68 -0.04 0.00 0.61 0.00 0.00 42.46 39.47 1itb s ILE 13 CO 0.71 -0.27 0.28 0.27 -2.81 0.00 0.00 174.94 173.12 1itb s ILE 14 N 5.12 5.24 -0.25 2.00 -0.00 -1.26 -4.99 121.20 127.06 1itb s ILE 14 Ca 0.72 0.37 -0.24 0.00 -0.00 0.00 0.00 60.65 61.50 1itb s ILE 14 Cb -0.26 -3.61 -0.00 0.00 -0.00 0.00 0.00 42.46 38.59 1itb s ILE 14 CO 0.29 0.21 0.82 -0.22 -0.00 0.00 0.00 174.94 176.04 1itb s LEU 15 N 1.88 4.08 -0.54 0.37 2.96 -1.26 -4.98 118.68 121.19 1itb s LEU 15 Ca 0.11 0.98 -0.17 0.00 -0.22 0.00 0.00 54.13 54.83 1itb s LEU 15 Cb -0.16 -3.16 0.10 0.00 0.50 0.00 0.00 46.19 43.47 1itb s LEU 15 CO 0.10 -0.52 0.55 -0.69 -1.32 0.00 0.00 176.35 174.47 1itb s VAL 16 N 2.85 5.08 0.37 1.68 1.01 -1.26 -3.30 120.40 126.82 1itb s VAL 16 Ca 0.34 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1itb s VAL 16 Cb -0.15 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1itb s VAL 16 CO 0.08 -0.88 0.54 -0.44 0.00 0.00 0.00 175.10 174.40 1itb s SER 17 N 3.33 5.97 0.01 3.32 0.01 -0.62 -4.65 113.70 121.07 1itb s SER 17 Ca 0.07 0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1itb s SER 17 Cb -0.26 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 1itb s SER 17 CO 0.05 -0.49 0.37 -0.94 0.41 0.00 0.00 173.24 172.64 1itb s SER 18 N -4.16 6.70 0.55 2.44 1.04 -1.26 -2.28 113.70 116.73 1itb s SER 18 Ca 0.45 0.84 -0.17 0.00 0.48 0.00 0.00 55.95 57.55 1itb s SER 18 Cb -0.10 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 1itb s SER 18 CO 0.34 0.29 1.03 0.00 0.98 0.00 0.00 173.24 175.88 1itb s ALA 19 N -1.18 2.85 0.00 5.32 0.00 -0.07 -3.97 121.76 124.71 1itb s ALA 19 Ca 0.26 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1itb s ALA 19 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1itb s ALA 19 CO 0.14 -0.55 0.00 -1.71 0.00 0.00 0.00 175.76 173.64 1itb n ASN 20 N -1.67 0.00 -4.19 0.00 5.15 -0.31 -4.88 115.26 109.36 1itb n ASN 20 Ca 0.08 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.95 1itb n ASN 20 Cb 0.53 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.68 1itb n ASN 20 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1itb s GLU 21 N -0.73 1.01 0.94 1.20 -1.05 -1.08 -4.76 118.70 114.22 1itb s GLU 21 Ca 0.00 -1.48 -0.10 0.00 -0.15 0.00 0.00 54.97 53.23 1itb s GLU 21 Cb 0.00 -0.01 0.16 0.00 -0.44 0.00 0.00 34.13 33.84 1itb s GLU 21 CO 0.00 -0.20 1.13 0.96 0.95 0.00 0.00 175.26 178.10 1itb s ILE 22 N -3.85 2.13 -0.28 1.83 -4.36 -1.13 -3.86 121.20 111.68 1itb s ILE 22 Ca 0.24 0.04 -0.24 0.00 -0.26 0.00 0.00 60.65 60.43 1itb s ILE 22 Cb 0.07 -2.10 0.12 0.00 1.25 0.00 0.00 42.46 41.80 1itb s ILE 22 CO 0.03 -0.06 1.00 -0.62 0.24 0.00 0.00 174.94 175.53 1itb s ASP 23 N -2.70 -0.49 0.18 4.36 2.15 -1.26 -4.94 116.67 113.96 1itb s ASP 23 Ca 0.67 0.92 0.11 0.00 0.43 0.00 0.00 52.55 54.67 1itb s ASP 23 Cb -0.23 0.97 -0.04 0.00 -0.30 0.00 0.00 42.92 43.32 1itb s ASP 23 CO 0.59 -0.16 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.50 1itb s VAL 24 N 0.43 2.28 -0.34 1.11 1.01 -1.26 0.15 120.40 123.79 1itb s VAL 24 Ca 0.01 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.04 1itb s VAL 24 Cb -0.05 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.41 1itb s VAL 24 CO -0.07 -0.09 0.31 -0.13 0.00 0.00 0.00 175.10 175.12 1itb s ARG 25 N -2.54 0.49 0.57 2.72 1.81 -1.04 -4.93 118.95 116.03 1itb s ARG 25 Ca 0.19 -0.65 -0.08 0.00 -1.72 0.00 0.00 55.73 53.47 1itb s ARG 25 Cb -0.08 -0.80 -0.03 0.00 -0.45 0.00 0.00 34.95 33.60 1itb s ARG 25 CO 0.09 -1.13 0.92 -1.25 -0.68 0.00 0.00 175.30 173.24 1itb s PRO 26 N 1.75 3.39 0.14 3.54 0.04 -1.26 -2.57 135.00 140.03 1itb s PRO 26 Ca 0.14 0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.32 1itb s PRO 26 Cb -0.16 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1itb s PRO 26 CO -0.15 -0.49 0.71 0.00 0.04 0.00 0.00 177.00 177.10 1itb s PRO 28 N -1.16 2.61 -0.26 0.00 0.04 -1.26 -4.96 135.00 130.02 1itb s PRO 28 Ca 0.34 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 1itb s PRO 28 Cb -0.22 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1itb s PRO 28 CO 0.24 -2.75 0.01 -0.51 0.04 0.00 0.00 177.00 174.03 1itb s LEU 29 N 9.17 3.35 0.00 -3.56 2.01 -1.26 -5.10 118.68 123.29 1itb s LEU 29 Ca 0.68 -0.56 0.00 0.00 0.01 0.00 0.00 54.13 54.26 1itb s LEU 29 Cb -0.13 -1.80 0.00 0.00 0.01 0.00 0.00 46.19 44.27 1itb s LEU 29 CO 0.21 -0.10 0.00 -0.46 1.01 0.00 0.00 176.35 177.01 1itb n ASN 30 N 4.82 0.00 0.03 2.29 2.04 -1.26 -4.80 115.26 118.37 1itb n ASN 30 Ca -0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 53.96 1itb n ASN 30 Cb 0.49 0.00 0.26 0.00 -2.53 0.00 0.00 39.78 38.01 1itb n ASN 30 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 1itb h PRO 31 N 0.00 0.45 -5.02 -0.53 0.13 -2.06 -3.41 132.00 121.56 1itb h PRO 31 Ca 0.00 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 64.33 1itb h PRO 31 Cb 0.00 -0.05 -0.17 0.00 0.13 0.00 0.00 31.00 30.92 1itb h PRO 31 CO 0.00 0.60 -0.21 1.21 -0.23 0.00 0.00 178.00 179.37 1itb s ASN 32 N -6.79 6.22 0.00 1.44 2.47 -1.26 -4.93 114.94 112.08 1itb s ASN 32 Ca -0.07 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 52.97 1itb s ASN 32 Cb 0.15 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 1itb s ASN 32 CO 0.77 -0.42 0.00 1.21 -3.72 0.00 0.00 177.10 174.94 1itb n GLU 33 N 5.52 0.00 -0.59 0.43 2.13 -1.26 -4.87 120.64 122.01 1itb n GLU 33 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1itb n GLU 33 Cb 0.49 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 32.03 1itb n GLU 33 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1itb n HIS 34 N -2.20 -1.38 -2.95 4.31 8.25 -1.26 -4.89 115.22 115.11 1itb n HIS 34 Ca 0.00 0.73 -0.43 0.00 -0.26 0.00 0.00 57.72 57.76 1itb n HIS 34 Cb 0.00 -2.17 0.01 0.00 1.12 0.00 0.00 29.99 28.94 1itb n HIS 34 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1itb n LYS 35 N -0.10 4.21 0.00 -0.41 5.02 -1.26 -4.43 118.16 121.18 1itb n LYS 35 Ca 0.00 -4.37 0.00 0.00 -2.02 0.00 0.00 58.31 51.92 1itb n LYS 35 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 1itb n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itb n GLY 36 N 1.79 -1.03 0.00 0.72 0.00 -1.26 -5.01 105.19 100.40 1itb n GLY 36 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1itb n GLY 36 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1itb n THR 37 N 0.00 0.00 -1.66 2.61 5.66 -1.26 -4.75 114.28 114.87 1itb n THR 37 Ca 0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 1itb n THR 37 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1itb n THR 37 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1itb n ILE 38 N -0.28 0.73 -3.65 1.09 -6.64 -1.26 -4.35 119.36 105.01 1itb n ILE 38 Ca 0.00 -0.13 -0.05 0.00 -1.77 0.00 0.00 62.75 60.80 1itb n ILE 38 Cb 0.00 -2.22 -0.06 0.00 -1.44 0.00 0.00 39.64 35.92 1itb n ILE 38 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1itb s THR 39 N 4.43 -0.43 0.34 7.28 -4.23 -1.25 -4.93 115.64 116.85 1itb s THR 39 Ca 0.90 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.38 1itb s THR 39 Cb -0.49 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1itb s THR 39 CO 0.44 0.00 0.60 0.26 -0.54 0.00 0.00 174.62 175.38 1itb s TRP 40 N 2.18 3.50 0.11 3.99 0.51 -1.26 -1.50 118.94 126.47 1itb s TRP 40 Ca -0.08 0.59 0.02 0.00 -2.12 0.00 0.00 56.10 54.51 1itb s TRP 40 Cb -0.08 -2.08 -0.04 0.00 -0.81 0.00 0.00 33.47 30.45 1itb s TRP 40 CO -0.19 0.07 -0.06 0.71 -0.51 0.00 0.00 176.95 176.97 1itb s TYR 41 N -2.28 0.96 0.68 -1.98 1.51 -0.64 -3.33 117.35 112.27 1itb s TYR 41 Ca 0.43 -0.92 -0.10 0.00 -1.01 0.00 0.00 57.07 55.47 1itb s TYR 41 Cb -0.10 -0.55 0.15 0.00 -0.11 0.00 0.00 41.96 41.35 1itb s TYR 41 CO 0.34 -0.14 0.92 1.63 -1.11 0.00 0.00 175.55 177.19 1itb n LYS 42 N -0.08 -0.78 -1.70 -0.62 5.02 -1.17 -3.08 118.16 115.76 1itb n LYS 42 Ca -0.11 -1.55 -0.35 0.00 -2.02 0.00 0.00 58.31 54.28 1itb n LYS 42 Cb 0.61 -0.91 0.07 0.00 -0.02 0.00 0.00 35.03 34.78 1itb n LYS 42 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1itb s ASP 43 N -4.41 4.67 -1.71 4.39 -1.08 -1.25 -3.22 116.67 114.05 1itb s ASP 43 Ca 0.53 2.36 -0.13 0.00 -0.52 0.00 0.00 52.55 54.79 1itb s ASP 43 Cb -0.02 -2.59 0.13 0.00 -1.46 0.00 0.00 42.92 38.98 1itb s ASP 43 CO 0.37 -1.94 0.42 -0.90 0.52 0.00 0.00 175.17 173.63 1itb n ASP 44 N -2.21 -1.02 -3.04 -0.34 5.68 -1.26 -3.89 116.55 110.47 1itb n ASP 44 Ca 0.13 -1.20 -0.01 0.00 -0.50 0.00 0.00 54.79 53.21 1itb n ASP 44 Cb 0.50 -1.89 -0.01 0.00 -1.14 0.00 0.00 41.12 38.58 1itb n ASP 44 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1itb n SER 45 N -2.67 -6.56 0.00 -1.12 2.88 -1.20 -5.07 113.62 99.88 1itb n SER 45 Ca -0.07 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1itb n SER 45 Cb 0.56 -2.18 0.00 0.00 -0.75 0.00 0.00 64.21 61.84 1itb n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1itb n LYS 46 N 1.98 1.88 -2.97 -1.46 4.76 -1.25 -4.97 118.16 116.14 1itb n LYS 46 Ca -0.05 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.17 1itb n LYS 46 Cb 0.22 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.42 1itb n LYS 46 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1itb s THR 47 N 3.69 3.81 -0.98 -0.18 -4.23 -1.26 -4.63 115.64 111.85 1itb s THR 47 Ca 0.00 -0.56 -0.26 0.00 -1.18 0.00 0.00 61.69 59.69 1itb s THR 47 Cb 0.00 -3.40 -0.18 0.00 1.34 0.00 0.00 72.50 70.26 1itb s THR 47 CO 0.00 -0.27 2.19 -2.16 -0.54 0.00 0.00 174.62 173.84 1itb s PRO 48 N -4.56 1.49 0.00 3.99 0.04 -1.25 -3.07 135.00 131.65 1itb s PRO 48 Ca 0.49 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1itb s PRO 48 Cb -0.10 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1itb s PRO 48 CO 0.37 -4.92 0.00 1.33 0.04 0.00 0.00 177.00 173.82 1itb n VAL 49 N 8.80 0.00 -0.95 -0.36 0.24 -1.21 -4.36 118.33 120.48 1itb n VAL 49 Ca 0.43 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.84 1itb n VAL 49 Cb 0.46 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.79 1itb n VAL 49 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1itb n SER 50 N 0.00 -5.00 -0.25 -1.34 7.64 -1.26 -2.46 113.62 110.96 1itb n SER 50 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1itb n SER 50 Cb 0.00 -3.06 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1itb n SER 50 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1itb n THR 51 N -3.01 0.00 -3.89 0.44 -2.24 -1.26 -3.82 114.28 100.50 1itb n THR 51 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1itb n THR 51 Cb 0.60 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.89 1itb n THR 51 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1itb s GLU 52 N 0.00 3.74 0.54 -0.78 2.56 -1.26 -4.95 118.70 118.54 1itb s GLU 52 Ca 0.00 -0.45 0.28 0.00 0.00 0.00 0.00 54.97 54.80 1itb s GLU 52 Cb 0.00 -3.26 1.44 0.00 2.00 0.00 0.00 34.13 34.31 1itb s GLU 52 CO 0.00 -0.03 1.96 1.96 -0.56 0.00 0.00 175.26 178.59 1itb h GLN 53 N 7.69 0.00 0.00 4.30 4.20 -1.99 -1.89 115.11 127.42 1itb h GLN 53 Ca -0.37 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.15 1itb h GLN 53 Cb 1.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1itb h GLN 53 CO 0.61 0.00 -0.92 0.00 -0.67 0.00 0.00 178.83 177.85 1itb h ALA 54 N 1.65 0.43 -2.00 3.87 0.00 -2.00 -3.46 119.26 117.75 1itb h ALA 54 Ca 0.30 -0.84 -0.39 0.00 0.00 0.00 0.00 54.91 53.98 1itb h ALA 54 Cb 1.24 -0.15 0.22 0.00 0.00 0.00 0.00 17.79 19.10 1itb h ALA 54 CO -0.00 1.15 -0.11 -1.54 0.00 0.00 0.00 179.25 178.75 1itb s SER 55 N -6.70 -0.87 0.00 0.00 1.04 -0.71 -5.03 113.70 101.43 1itb s SER 55 Ca 0.01 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1itb s SER 55 Cb 0.10 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1itb s SER 55 CO 0.81 -5.26 0.00 -1.14 0.98 0.00 0.00 173.24 168.62 1itb n ARG 56 N -5.58 0.00 -2.36 4.02 0.63 -1.26 -4.78 116.66 107.33 1itb n ARG 56 Ca 0.11 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 1itb n ARG 56 Cb 0.59 -0.21 -0.02 0.00 0.45 0.00 0.00 32.46 33.27 1itb n ARG 56 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1itb s ILE 57 N 0.00 4.09 0.20 5.15 1.01 -1.26 -4.13 121.20 126.25 1itb s ILE 57 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 1itb s ILE 57 Cb 0.00 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.50 1itb s ILE 57 CO 0.00 -0.34 0.63 -1.38 0.00 0.00 0.00 174.94 173.85 1itb s HIS 58 N 4.27 -0.40 -0.11 3.97 -3.43 -0.99 -4.36 115.29 114.24 1itb s HIS 58 Ca 0.59 0.10 -0.03 0.00 -0.80 0.00 0.00 55.06 54.92 1itb s HIS 58 Cb -0.20 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1itb s HIS 58 CO 0.22 -0.98 0.00 1.14 -2.00 0.00 0.00 174.74 173.12 1itb s GLN 59 N -3.81 3.24 0.00 -0.38 -2.07 -1.03 -1.16 119.66 114.45 1itb s GLN 59 Ca 0.05 -0.42 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 1itb s GLN 59 Cb -0.03 -2.87 0.00 0.00 -1.09 0.00 0.00 33.01 29.03 1itb s GLN 59 CO -0.06 0.56 0.00 1.58 -1.32 0.00 0.00 175.29 176.05 1itb n HIS 60 N 2.59 0.00 -0.68 9.60 -0.00 -0.60 -4.50 115.22 121.63 1itb n HIS 60 Ca -0.18 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.60 1itb n HIS 60 Cb 0.53 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.28 1itb n HIS 60 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1itb n LYS 61 N 0.00 0.05 -3.16 1.57 5.02 -1.26 -3.72 118.16 116.65 1itb n LYS 61 Ca 0.00 -1.13 -0.22 0.00 -2.02 0.00 0.00 58.31 54.94 1itb n LYS 61 Cb 0.00 -2.73 0.02 0.00 -0.02 0.00 0.00 35.03 32.30 1itb n LYS 61 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1itb n GLU 62 N 8.00 -4.08 -3.80 1.97 1.02 -1.26 -4.98 120.64 117.51 1itb n GLU 62 Ca 0.46 0.69 -0.12 0.00 -0.02 0.00 0.00 57.16 58.17 1itb n GLU 62 Cb 0.43 -5.47 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 1itb n GLU 62 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1itb s LYS 63 N -5.83 0.38 -0.91 3.49 1.02 -1.24 -4.51 119.74 112.12 1itb s LYS 63 Ca 0.34 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.29 1itb s LYS 63 Cb -0.17 0.17 0.18 0.00 -0.52 0.00 0.00 37.83 37.50 1itb s LYS 63 CO 0.42 -0.07 0.99 -1.17 -0.92 0.00 0.00 175.35 174.60 1itb s LEU 64 N -0.37 5.86 0.48 3.17 0.20 -1.06 -1.56 118.68 125.40 1itb s LEU 64 Ca -0.05 -2.47 -0.17 0.00 0.69 0.00 0.00 54.13 52.13 1itb s LEU 64 Cb -0.03 -2.31 -0.09 0.00 -0.43 0.00 0.00 46.19 43.33 1itb s LEU 64 CO 0.01 -0.79 0.96 0.26 -0.29 0.00 0.00 176.35 176.50 1itb s TRP 65 N 1.31 3.41 -0.78 5.38 0.52 -0.31 -2.48 118.94 125.99 1itb s TRP 65 Ca 0.27 1.48 0.07 0.00 0.02 0.00 0.00 56.10 57.94 1itb s TRP 65 Cb -0.07 -2.78 0.10 0.00 -1.15 0.00 0.00 33.47 29.56 1itb s TRP 65 CO -0.09 -0.26 0.86 1.19 0.02 0.00 0.00 176.95 178.67 1itb n PHE 66 N -1.25 0.09 0.00 -1.98 3.01 0.12 -2.34 117.46 115.11 1itb n PHE 66 Ca 0.06 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1itb n PHE 66 Cb 0.54 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1itb n PHE 66 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1itb n VAL 67 N 0.31 0.00 0.79 -4.37 0.31 -1.26 -0.35 118.33 113.75 1itb n VAL 67 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 1itb n VAL 67 Cb 0.23 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.19 1itb n VAL 67 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1itb n PRO 68 N 0.00 1.58 -1.34 5.55 -0.02 -1.26 -2.85 135.00 136.66 1itb n PRO 68 Ca 0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1itb n PRO 68 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1itb n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itb n ALA 69 N 0.32 -1.00 -2.58 3.55 0.00 0.52 -2.41 120.51 118.92 1itb n ALA 69 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1itb n ALA 69 Cb 0.41 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 1itb n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1itb s LYS 70 N -0.02 2.22 0.28 0.00 1.02 -1.26 -1.16 119.74 120.82 1itb s LYS 70 Ca 0.00 -2.19 0.07 0.00 0.02 0.00 0.00 55.97 53.87 1itb s LYS 70 Cb 0.00 -1.80 0.40 0.00 -0.52 0.00 0.00 37.83 35.91 1itb s LYS 70 CO 0.00 -0.43 1.65 0.28 -0.92 0.00 0.00 175.35 175.93 1itb h VAL 71 N 1.13 1.35 0.00 3.17 2.07 -1.93 -2.93 116.25 119.11 1itb h VAL 71 Ca -0.41 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1itb h VAL 71 Cb 1.30 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1itb h VAL 71 CO 0.67 0.51 0.00 -0.33 0.02 0.00 0.00 177.57 178.44 1itb h GLU 72 N 0.15 0.00 0.00 1.57 3.07 -1.96 -1.26 114.58 116.14 1itb h GLU 72 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1itb h GLU 72 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1itb h GLU 72 CO 0.07 0.00 -0.26 -0.44 -1.40 0.00 0.00 179.01 176.98 1itb h ASP 73 N 0.00 0.00 -0.08 1.42 3.32 -1.91 -3.43 116.42 115.73 1itb h ASP 73 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1itb h ASP 73 Cb 0.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1itb h ASP 73 CO 0.00 0.26 0.64 -0.24 -1.72 0.00 0.00 179.24 178.19 1itb n SER 74 N -3.24 -0.12 -3.34 6.45 2.88 -0.48 -4.76 113.62 111.02 1itb n SER 74 Ca 0.02 -1.67 -0.07 0.00 -1.33 0.00 0.00 58.87 55.82 1itb n SER 74 Cb 0.56 -1.17 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 1itb n SER 74 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1itb s GLY 75 N 4.84 0.15 -0.03 0.46 0.00 -1.10 -4.88 107.32 106.75 1itb s GLY 75 Ca 0.65 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 1itb s GLY 75 CO 0.17 0.03 1.22 0.30 0.00 0.00 0.00 173.10 174.82 1itb s HIS 76 N -2.90 3.21 0.43 1.90 3.76 -1.26 -2.51 115.29 117.91 1itb s HIS 76 Ca 0.14 1.20 0.03 0.00 -0.15 0.00 0.00 55.06 56.28 1itb s HIS 76 Cb -0.05 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 1itb s HIS 76 CO 0.09 -1.40 0.05 0.71 -0.85 0.00 0.00 174.74 173.34 1itb s TYR 77 N 1.99 1.96 0.24 1.40 2.02 -1.26 -3.87 117.35 119.83 1itb s TYR 77 Ca 0.57 -1.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1itb s TYR 77 Cb -0.26 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1itb s TYR 77 CO 0.24 0.05 0.14 0.71 -1.57 0.00 0.00 175.55 175.12 1itb s TYR 78 N -3.03 1.34 -0.12 2.71 2.02 -1.18 -0.56 117.35 118.54 1itb s TYR 78 Ca 0.22 -1.37 -0.20 0.00 -0.37 0.00 0.00 57.07 55.34 1itb s TYR 78 Cb 0.04 -0.67 0.05 0.00 -0.40 0.00 0.00 41.96 40.98 1itb s TYR 78 CO 0.11 -0.59 0.50 0.00 -1.57 0.00 0.00 175.55 174.00 1itb s VAL 80 N -0.47 1.11 -0.16 0.00 0.11 -0.56 0.12 120.40 120.55 1itb s VAL 80 Ca -0.06 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1itb s VAL 80 Cb -0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1itb s VAL 80 CO 0.04 0.34 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.33 1itb s VAL 81 N 0.45 2.86 -0.43 2.04 1.01 -1.26 -3.78 120.40 121.28 1itb s VAL 81 Ca -0.10 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1itb s VAL 81 Cb -0.13 -2.23 0.19 0.00 0.00 0.00 0.00 36.38 34.21 1itb s VAL 81 CO 0.03 0.50 0.81 -0.60 0.00 0.00 0.00 175.10 175.84 1itb s ARG 82 N 0.85 0.74 -0.09 2.72 3.52 -1.26 -3.66 118.95 121.77 1itb s ARG 82 Ca -0.04 -0.56 -0.25 0.00 -0.13 0.00 0.00 55.73 54.74 1itb s ARG 82 Cb -0.15 0.01 -0.29 0.00 -1.56 0.00 0.00 34.95 32.96 1itb s ARG 82 CO -0.00 -0.96 0.84 -0.91 -0.81 0.00 0.00 175.30 173.45 1itb h ASN 83 N 5.46 0.25 0.00 -2.12 4.21 -1.88 -3.43 115.58 118.06 1itb h ASN 83 Ca 0.03 -0.97 -0.17 0.00 1.21 0.00 0.00 56.30 56.40 1itb h ASN 83 Cb 1.16 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 38.25 1itb h ASN 83 CO 0.00 1.20 -1.57 -1.20 -1.29 0.00 0.00 177.43 174.57 1itb n SER 84 N -4.36 1.41 0.00 5.81 7.64 -1.26 -5.04 113.62 117.83 1itb n SER 84 Ca -0.12 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1itb n SER 84 Cb 0.66 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1itb n SER 84 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1itb n SER 85 N -3.28 0.00 -3.12 6.43 3.41 -1.26 -5.05 113.62 110.74 1itb n SER 85 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 1itb n SER 85 Cb 0.66 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1itb n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itb n TYR 86 N -0.28 0.05 -2.90 7.33 4.11 -1.26 -4.80 117.16 119.41 1itb n TYR 86 Ca 0.00 -0.55 -0.40 0.00 -0.00 0.00 0.00 57.90 56.95 1itb n TYR 86 Cb 0.00 -0.67 -0.05 0.00 -0.00 0.00 0.00 39.34 38.61 1itb n TYR 86 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1itb n LEU 88 N 2.25 0.00 -1.81 0.00 4.32 -1.24 -1.56 117.00 118.96 1itb n LEU 88 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1itb n LEU 88 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1itb n LEU 88 CO 0.48 0.09 0.00 -2.11 -1.22 0.00 0.00 177.39 174.63 1itb n ARG 89 N 0.00 -0.69 -2.04 3.23 1.85 -1.26 -2.59 116.66 115.17 1itb n ARG 89 Ca 0.00 0.66 -0.42 0.00 -1.00 0.00 0.00 57.85 57.09 1itb n ARG 89 Cb 0.22 -0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 31.13 1itb n ARG 89 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1itb s ILE 90 N 0.00 2.98 0.04 8.89 -1.09 0.33 -3.86 121.20 128.50 1itb s ILE 90 Ca 0.00 0.67 -0.18 0.00 -2.23 0.00 0.00 60.65 58.91 1itb s ILE 90 Cb 0.00 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.39 1itb s ILE 90 CO 0.00 0.04 0.53 -0.75 -1.23 0.00 0.00 174.94 173.53 1itb s LYS 91 N 1.35 4.16 0.00 2.79 2.20 -1.16 -0.80 119.74 128.28 1itb s LYS 91 Ca 0.68 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1itb s LYS 91 Cb -0.40 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1itb s LYS 91 CO 0.31 0.59 0.00 -0.89 -0.36 0.00 0.00 175.35 175.00 1itb n ILE 92 N 1.98 0.00 -1.25 5.43 5.41 0.28 -4.40 119.36 126.80 1itb n ILE 92 Ca -0.11 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1itb n ILE 92 Cb 0.51 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1itb n ILE 92 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1itb n SER 93 N -1.53 -1.67 -4.77 4.38 7.64 -1.26 -4.83 113.62 111.58 1itb n SER 93 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1itb n SER 93 Cb 0.00 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.31 1itb n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itb s ALA 94 N 0.00 3.60 -0.10 -0.43 0.00 -1.05 -4.35 121.76 119.44 1itb s ALA 94 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 1itb s ALA 94 Cb 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1itb s ALA 94 CO 0.00 0.03 0.23 0.21 0.00 0.00 0.00 175.76 176.23 1itb s LYS 95 N -3.89 0.21 -0.10 0.00 2.20 -1.21 -2.72 119.74 114.23 1itb s LYS 95 Ca 0.39 0.46 0.03 0.00 -0.36 0.00 0.00 55.97 56.48 1itb s LYS 95 Cb -0.04 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1itb s LYS 95 CO 0.24 -0.13 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.85 1itb s PHE 96 N 0.95 2.66 0.34 4.03 0.40 -1.26 -1.59 117.98 123.52 1itb s PHE 96 Ca -0.07 -0.75 0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1itb s PHE 96 Cb -0.08 -1.74 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 1itb s PHE 96 CO -0.06 -0.25 -0.05 0.14 0.70 0.00 0.00 175.22 175.70 1itb s VAL 97 N 0.18 1.95 0.05 -0.44 -7.23 -0.96 -4.63 120.40 109.31 1itb s VAL 97 Ca -0.11 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1itb s VAL 97 Cb -0.16 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1itb s VAL 97 CO 0.06 -0.17 0.08 -0.70 -0.31 0.00 0.00 175.10 174.07 1itb s GLU 98 N -3.69 2.96 0.31 4.82 2.56 -1.26 -0.89 118.70 123.52 1itb s GLU 98 Ca 0.33 -0.61 -0.30 0.00 0.00 0.00 0.00 54.97 54.39 1itb s GLU 98 Cb 0.05 -2.78 -0.11 0.00 2.00 0.00 0.00 34.13 33.28 1itb s GLU 98 CO 0.16 0.59 1.58 0.09 -0.56 0.00 0.00 175.26 177.12 1itb n ASN 99 N 0.70 3.88 -4.70 -1.70 3.02 -1.26 -4.60 115.26 110.60 1itb n ASN 99 Ca -0.10 1.16 -0.31 0.00 -0.03 0.00 0.00 54.58 55.30 1itb n ASN 99 Cb 0.52 -1.60 0.14 0.00 -0.61 0.00 0.00 39.78 38.23 1itb n ASN 99 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1itb s GLU 100 N -0.83 1.41 -0.05 3.52 2.02 -0.72 -4.86 118.70 119.18 1itb s GLU 100 Ca 0.62 1.44 -0.37 0.00 0.02 0.00 0.00 54.97 56.68 1itb s GLU 100 Cb -0.49 -1.78 -0.15 0.00 0.10 0.00 0.00 34.13 31.82 1itb s GLU 100 CO 0.52 -2.32 1.64 -0.35 0.02 0.00 0.00 175.26 174.77 1itb n PRO 101 N -3.99 1.61 0.00 0.39 -0.04 -1.26 -2.14 135.00 129.56 1itb n PRO 101 Ca 0.11 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1itb n PRO 101 Cb 0.52 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1itb n PRO 101 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1itb n ASN 102 N 4.59 0.00 -4.93 3.54 3.02 -1.26 -4.97 115.26 115.25 1itb n ASN 102 Ca 0.22 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.51 1itb n ASN 102 Cb 0.22 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1itb n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1itb s LEU 103 N 0.00 3.34 -0.34 3.41 1.43 -0.91 -4.98 118.68 120.63 1itb s LEU 103 Ca 0.00 0.62 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 1itb s LEU 103 Cb 0.00 -3.46 0.57 0.00 0.03 0.00 0.00 46.19 43.33 1itb s LEU 103 CO 0.00 -0.97 1.63 0.00 0.23 0.00 0.00 176.35 177.24 1itb s TYR 105 N -3.24 -0.04 -0.07 0.00 -0.85 -1.26 -5.02 117.35 106.86 1itb s TYR 105 Ca 0.49 -0.20 0.04 0.00 -0.52 0.00 0.00 57.07 56.87 1itb s TYR 105 Cb 0.43 0.62 0.00 0.00 0.38 0.00 0.00 41.96 43.39 1itb s TYR 105 CO 0.04 -0.62 -0.18 1.21 -1.52 0.00 0.00 175.55 174.48 1itb s ASN 106 N -3.14 2.41 0.60 -0.18 3.84 -1.26 -1.76 114.94 115.45 1itb s ASN 106 Ca 0.17 -0.42 0.38 0.00 0.21 0.00 0.00 52.86 53.20 1itb s ASN 106 Cb 0.00 -0.97 1.88 0.00 -0.55 0.00 0.00 41.25 41.62 1itb s ASN 106 CO 0.01 0.12 2.18 0.00 -2.79 0.00 0.00 177.10 176.62 1itb h ALA 107 N 6.64 1.03 0.00 1.71 0.00 -2.00 -2.13 119.26 124.51 1itb h ALA 107 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1itb h ALA 107 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1itb h ALA 107 CO 0.47 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.78 1itb n GLN 108 N -3.14 0.16 -0.11 0.00 6.02 -1.26 -2.05 117.38 117.00 1itb n GLN 108 Ca -0.01 0.59 0.04 0.00 -0.01 0.00 0.00 57.00 57.60 1itb n GLN 108 Cb 0.19 -1.96 0.10 0.00 1.02 0.00 0.00 30.24 29.59 1itb n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1itb n ALA 109 N -1.79 2.14 -1.71 -1.58 0.00 -0.80 -4.81 120.51 111.95 1itb n ALA 109 Ca -0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.03 1itb n ALA 109 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1itb n ALA 109 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1itb s ILE 110 N -0.97 3.42 -0.20 0.00 -4.36 -0.87 -4.46 121.20 113.75 1itb s ILE 110 Ca 0.15 0.81 0.00 0.00 -0.26 0.00 0.00 60.65 61.34 1itb s ILE 110 Cb 0.08 -3.30 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1itb s ILE 110 CO 0.10 -0.27 -0.15 -0.36 0.24 0.00 0.00 174.94 174.51 1itb s PHE 111 N -2.03 2.90 -0.16 1.37 0.08 -0.67 -4.95 117.98 114.51 1itb s PHE 111 Ca 0.69 -1.60 -0.29 0.00 0.12 0.00 0.00 56.93 55.85 1itb s PHE 111 Cb -0.20 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1itb s PHE 111 CO 0.30 -0.76 1.26 0.15 -0.10 0.00 0.00 175.22 176.06 1itb s LYS 112 N 1.30 4.24 -0.04 0.44 1.02 -1.26 -1.57 119.74 123.87 1itb s LYS 112 Ca 0.03 1.65 0.03 0.00 0.02 0.00 0.00 55.97 57.70 1itb s LYS 112 Cb -0.14 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1itb s LYS 112 CO -0.09 -0.70 -0.11 -0.65 -0.92 0.00 0.00 175.35 172.87 1itb s GLN 113 N 3.46 1.27 0.14 1.68 -0.21 -0.74 -4.94 119.66 120.32 1itb s GLN 113 Ca 0.54 -0.39 0.11 0.00 0.02 0.00 0.00 55.36 55.64 1itb s GLN 113 Cb -0.22 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 1itb s GLN 113 CO 0.15 0.13 -0.26 0.15 -2.12 0.00 0.00 175.29 173.34 1itb s LYS 114 N 0.23 1.44 -0.15 2.91 1.02 -1.26 -1.11 119.74 122.82 1itb s LYS 114 Ca -0.05 -1.38 -0.10 0.00 0.02 0.00 0.00 55.97 54.46 1itb s LYS 114 Cb -0.10 -1.90 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1itb s LYS 114 CO 0.01 0.44 0.38 -0.51 -0.92 0.00 0.00 175.35 174.76 1itb s LEU 115 N -2.19 0.16 0.27 3.17 1.43 -0.95 -4.96 118.68 115.62 1itb s LEU 115 Ca 0.15 0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 53.78 1itb s LEU 115 Cb -0.10 1.27 -0.10 0.00 0.03 0.00 0.00 46.19 47.30 1itb s LEU 115 CO 0.07 -0.17 1.31 -2.16 0.23 0.00 0.00 176.35 175.63 1itb s PRO 116 N 1.00 4.38 1.06 1.29 0.04 -1.26 -1.48 135.00 140.02 1itb s PRO 116 Ca -0.06 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1itb s PRO 116 Cb -0.07 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.56 1itb s PRO 116 CO -0.08 -0.21 0.99 0.28 0.04 0.00 0.00 177.00 178.02 1itb n VAL 117 N 1.66 0.00 -1.33 -0.36 0.31 0.30 -3.74 118.33 115.17 1itb n VAL 117 Ca 0.03 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.01 1itb n VAL 117 Cb 0.42 -0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 32.34 1itb n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1itb n ALA 118 N -4.59 -0.17 -3.28 3.52 0.00 1.00 -4.46 120.51 112.52 1itb n ALA 118 Ca 0.07 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1itb n ALA 118 Cb 0.53 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 1itb n ALA 118 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1itb s GLY 119 N -2.43 -0.22 -0.01 0.00 0.00 -1.25 -4.82 107.32 98.60 1itb s GLY 119 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.94 1itb s GLY 119 CO 0.00 0.29 1.78 0.99 0.00 0.00 0.00 173.10 176.16 1itb s ASP 120 N -1.21 6.58 0.39 1.64 1.11 -1.26 -2.67 116.67 121.25 1itb s ASP 120 Ca -0.12 2.43 0.04 0.00 0.18 0.00 0.00 52.55 55.08 1itb s ASP 120 Cb -0.04 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1itb s ASP 120 CO 0.05 -0.97 0.16 0.61 1.18 0.00 0.00 175.17 176.19 1itb n GLY 121 N 4.28 3.22 2.89 0.21 0.00 -0.51 -4.95 105.19 110.34 1itb n GLY 121 Ca 0.18 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 1itb n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itb s GLY 122 N -3.45 0.44 -0.02 -0.02 0.00 -1.26 -0.63 107.32 102.39 1itb s GLY 122 Ca 0.22 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 1itb s GLY 122 CO 0.16 0.44 0.33 1.08 0.00 0.00 0.00 173.10 175.11 1itb s LEU 123 N 0.91 4.44 -0.15 0.66 1.43 0.91 -4.89 118.68 122.00 1itb s LEU 123 Ca -0.11 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1itb s LEU 123 Cb -0.14 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 1itb s LEU 123 CO 0.00 0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 176.07 1itb s VAL 124 N -1.11 2.76 -0.48 -1.59 1.01 -1.26 -0.17 120.40 119.57 1itb s VAL 124 Ca 0.23 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1itb s VAL 124 Cb -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1itb s VAL 124 CO 0.12 0.52 1.43 0.00 0.00 0.00 0.00 175.10 177.17 1itb s PRO 126 N 5.24 -1.14 -1.28 0.00 0.02 -1.26 -4.22 135.00 132.36 1itb s PRO 126 Ca 0.58 0.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.21 1itb s PRO 126 Cb -0.13 -1.54 0.12 0.00 0.02 0.00 0.00 34.50 32.97 1itb s PRO 126 CO 0.29 -3.84 0.29 0.66 -0.33 0.00 0.00 177.00 174.07 1itb n TYR 127 N -4.99 -0.86 -0.05 6.54 4.02 -1.26 -4.80 117.16 115.77 1itb n TYR 127 Ca 0.03 0.48 0.09 0.00 -0.01 0.00 0.00 57.90 58.49 1itb n TYR 127 Cb 0.55 -1.57 0.28 0.00 -0.02 0.00 0.00 39.34 38.58 1itb n TYR 127 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1itb n MET 128 N -3.25 2.76 0.26 -0.72 2.81 -1.26 -4.53 117.12 113.19 1itb n MET 128 Ca -0.02 -2.25 0.13 0.00 -1.81 0.00 0.00 57.70 53.74 1itb n MET 128 Cb 0.39 -1.60 0.70 0.00 -0.71 0.00 0.00 33.22 32.00 1itb n MET 128 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1itb h GLU 129 N 3.47 0.00 0.08 0.03 4.11 -1.93 -2.81 114.58 117.53 1itb h GLU 129 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.06 1itb h GLU 129 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1itb h GLU 129 CO 0.08 0.13 -2.16 1.19 0.07 0.00 0.00 179.01 178.32 1itb n PHE 130 N -3.60 0.84 0.69 2.06 3.72 -1.26 -4.00 117.46 115.91 1itb n PHE 130 Ca -0.02 0.18 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 1itb n PHE 130 Cb 0.26 -1.11 0.41 0.00 -0.94 0.00 0.00 39.48 38.09 1itb n PHE 130 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1itb n PHE 131 N -3.40 0.00 0.26 1.38 3.72 -1.22 -2.93 117.46 115.27 1itb n PHE 131 Ca -0.36 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.87 1itb n PHE 131 Cb 1.03 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 39.06 1itb n PHE 131 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1itb h LYS 132 N 0.00 -0.75 -5.23 -1.08 3.64 -1.63 -3.40 116.57 108.12 1itb h LYS 132 Ca 0.00 0.05 -0.40 0.00 -1.27 0.00 0.00 60.65 59.03 1itb h LYS 132 Cb 0.27 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1itb h LYS 132 CO 0.00 -0.50 1.54 0.09 -2.27 0.00 0.00 179.45 178.31 1itb n ASN 133 N -5.46 0.83 -2.76 4.20 3.02 -1.15 -2.93 115.26 111.01 1itb n ASN 133 Ca -0.11 -0.37 -0.09 0.00 -0.03 0.00 0.00 54.58 53.98 1itb n ASN 133 Cb 0.36 -1.16 0.08 0.00 -0.61 0.00 0.00 39.78 38.46 1itb n ASN 133 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1itb n GLU 134 N 8.21 1.08 -2.38 3.52 4.07 -1.26 -4.79 120.64 129.10 1itb n GLU 134 Ca 0.55 -2.12 -0.05 0.00 -0.06 0.00 0.00 57.16 55.48 1itb n GLU 134 Cb 0.26 -0.78 0.01 0.00 -0.06 0.00 0.00 31.44 30.87 1itb n GLU 134 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1itb n ASN 135 N 0.01 -2.42 -1.78 4.31 5.03 -1.26 -3.19 115.26 115.96 1itb n ASN 135 Ca 0.05 -0.05 -0.15 0.00 0.87 0.00 0.00 54.58 55.30 1itb n ASN 135 Cb 0.75 -1.41 -0.00 0.00 -1.02 0.00 0.00 39.78 38.10 1itb n ASN 135 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1itb n ASN 136 N 0.91 -4.60 -4.11 6.41 3.02 -1.26 -5.01 115.26 110.62 1itb n ASN 136 Ca -0.03 -0.04 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 1itb n ASN 136 Cb 0.53 -3.71 -0.15 0.00 -0.61 0.00 0.00 39.78 35.84 1itb n ASN 136 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1itb s GLU 137 N -4.82 2.37 0.23 3.52 0.41 -1.15 -4.90 118.70 114.36 1itb s GLU 137 Ca 0.02 -1.27 -0.32 0.00 -0.41 0.00 0.00 54.97 52.99 1itb s GLU 137 Cb -0.01 -2.96 -0.12 0.00 -1.78 0.00 0.00 34.13 29.26 1itb s GLU 137 CO 0.03 -0.55 1.64 1.28 -0.49 0.00 0.00 175.26 177.17 1itb n LEU 138 N 4.51 3.92 -4.59 1.80 4.77 -1.24 -4.10 117.00 122.07 1itb n LEU 138 Ca -0.14 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 56.61 1itb n LEU 138 Cb 0.43 -1.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.11 1itb n LEU 138 CO 0.23 0.06 0.44 -0.81 -1.33 0.00 0.00 177.39 175.98 1itb n PRO 139 N 3.16 -0.21 -2.11 3.23 -0.04 -1.26 -4.90 135.00 132.87 1itb n PRO 139 Ca 0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1itb n PRO 139 Cb 0.34 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1itb n PRO 139 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1itb s LYS 140 N -4.10 3.95 0.04 0.54 3.01 -1.26 -4.94 119.74 116.98 1itb s LYS 140 Ca 0.66 1.82 -0.19 0.00 -1.01 0.00 0.00 55.97 57.25 1itb s LYS 140 Cb -0.25 -4.00 -0.06 0.00 -1.01 0.00 0.00 37.83 32.51 1itb s LYS 140 CO 0.59 -1.11 0.54 -0.51 0.51 0.00 0.00 175.35 175.37 1itb s LEU 141 N 4.72 4.49 -0.04 3.17 1.02 -1.26 -4.57 118.68 126.21 1itb s LEU 141 Ca 0.71 1.17 0.00 0.00 0.02 0.00 0.00 54.13 56.03 1itb s LEU 141 Cb -0.27 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 1itb s LEU 141 CO 0.28 0.24 -0.02 -1.10 0.02 0.00 0.00 176.35 175.77 1itb s GLN 142 N -0.87 2.82 0.05 1.70 -0.21 -0.33 -4.89 119.66 117.94 1itb s GLN 142 Ca 0.28 -0.54 0.09 0.00 0.02 0.00 0.00 55.36 55.20 1itb s GLN 142 Cb -0.19 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 1itb s GLN 142 CO 0.17 0.66 -0.24 -1.58 -2.12 0.00 0.00 175.29 172.18 1itb s TRP 143 N -0.97 2.09 0.02 0.91 0.52 -1.26 -0.25 118.94 120.01 1itb s TRP 143 Ca 0.16 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.89 1itb s TRP 143 Cb -0.11 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 1itb s TRP 143 CO 0.06 0.13 -0.04 0.71 0.02 0.00 0.00 176.95 177.82 1itb s TYR 144 N -0.83 0.36 -0.09 -1.98 1.51 0.00 -0.42 117.35 115.90 1itb s TYR 144 Ca 0.10 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1itb s TYR 144 Cb -0.09 -0.24 0.02 0.00 -0.11 0.00 0.00 41.96 41.54 1itb s TYR 144 CO 0.02 -0.15 -0.09 0.21 -1.11 0.00 0.00 175.55 174.43 1itb s LYS 145 N -1.41 1.55 -1.30 -0.62 2.20 -0.27 -0.47 119.74 119.42 1itb s LYS 145 Ca -0.13 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1itb s LYS 145 Cb -0.09 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.74 1itb s LYS 145 CO -0.01 -0.16 0.78 -0.25 -0.36 0.00 0.00 175.35 175.35 1itb n ASP 146 N 4.54 -5.75 0.00 1.43 8.00 0.72 -2.60 116.55 122.88 1itb n ASP 146 Ca -0.16 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1itb n ASP 146 Cb 0.51 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 1itb n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itb s LYS 148 N -0.84 3.07 0.12 0.00 1.02 -1.07 -5.04 119.74 117.01 1itb s LYS 148 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1itb s LYS 148 Cb 0.00 -2.86 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1itb s LYS 148 CO 0.00 0.64 1.11 -1.25 -0.92 0.00 0.00 175.35 174.93 1itb s PRO 149 N -1.80 4.54 -0.01 -1.68 0.04 -1.26 -1.11 135.00 133.72 1itb s PRO 149 Ca 0.24 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1itb s PRO 149 Cb -0.12 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1itb s PRO 149 CO 0.15 -0.04 0.53 -0.51 0.04 0.00 0.00 177.00 177.17 1itb s LEU 150 N 0.23 4.43 -0.24 -3.56 1.43 0.44 -4.93 118.68 116.48 1itb s LEU 150 Ca 0.52 1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 54.44 1itb s LEU 150 Cb -0.28 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1itb s LEU 150 CO 0.32 0.17 0.88 -0.22 0.23 0.00 0.00 176.35 177.73 1itb s LEU 151 N -0.42 4.08 -1.28 1.79 0.20 -1.26 -4.67 118.68 117.12 1itb s LEU 151 Ca 0.28 1.11 -0.07 0.00 0.69 0.00 0.00 54.13 56.15 1itb s LEU 151 Cb -0.18 -3.27 0.16 0.00 -0.43 0.00 0.00 46.19 42.47 1itb s LEU 151 CO 0.15 -0.55 2.10 0.18 -0.29 0.00 0.00 176.35 177.94 1itb n LEU 152 N 6.09 7.37 0.12 -0.68 4.77 -1.26 -4.31 117.00 129.10 1itb n LEU 152 Ca 0.07 -4.83 0.13 0.00 -0.03 0.00 0.00 56.01 51.35 1itb n LEU 152 Cb 0.47 -1.40 0.40 0.00 -2.33 0.00 0.00 43.42 40.56 1itb n LEU 152 CO 0.48 1.76 0.88 -2.24 -1.33 0.00 0.00 177.39 176.95 1itb h ASP 153 N 5.10 0.00 -0.18 -1.43 3.04 -1.91 -3.45 116.42 117.59 1itb h ASP 153 Ca 0.54 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 54.26 1itb h ASP 153 Cb 0.45 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.71 1itb h ASP 153 CO 1.52 0.00 -0.07 0.59 -2.04 0.00 0.00 179.24 179.24 1itb n ASN 154 N -2.36 -3.54 0.03 4.15 3.02 0.58 -4.83 115.26 112.30 1itb n ASN 154 Ca 0.05 0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.68 1itb n ASN 154 Cb 0.41 -1.37 -0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1itb n ASN 154 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1itb n ILE 155 N -2.86 1.18 -0.05 2.41 5.41 -1.26 -4.85 119.36 119.34 1itb n ILE 155 Ca -0.04 0.35 -0.11 0.00 1.00 0.00 0.00 62.75 63.95 1itb n ILE 155 Cb 0.14 -1.65 -0.15 0.00 -0.71 0.00 0.00 39.64 37.27 1itb n ILE 155 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1itb n HIS 156 N -3.55 0.64 -3.79 1.39 8.25 -1.26 -4.75 115.22 112.14 1itb n HIS 156 Ca -0.02 0.21 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1itb n HIS 156 Cb 0.07 -1.11 -0.07 0.00 1.12 0.00 0.00 29.99 29.99 1itb n HIS 156 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1itb s PHE 157 N -2.55 -0.01 -0.00 4.41 0.08 -1.26 -2.31 117.98 116.33 1itb s PHE 157 Ca -0.10 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1itb s PHE 157 Cb 0.07 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 1itb s PHE 157 CO 0.81 -0.51 -0.00 -1.12 -0.10 0.00 0.00 175.22 174.30 1itb s SER 158 N -2.31 0.08 -0.19 1.36 0.01 -0.51 -0.31 113.70 111.83 1itb s SER 158 Ca -0.02 -0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1itb s SER 158 Cb 0.01 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1itb s SER 158 CO -0.06 -0.01 -0.14 -0.83 0.41 0.00 0.00 173.24 172.61 1itb s GLY 159 N 0.10 1.47 -0.15 3.44 0.00 -1.26 -0.12 107.32 110.80 1itb s GLY 159 Ca -0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.50 1itb s GLY 159 CO -0.00 0.26 0.09 0.14 0.00 0.00 0.00 173.10 173.59 1itb s VAL 160 N 1.23 -0.10 0.00 1.40 1.01 -0.84 -5.02 120.40 118.09 1itb s VAL 160 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1itb s VAL 160 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1itb s VAL 160 CO -0.07 -0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.11 1itb n LYS 161 N 5.28 0.00 0.00 2.72 5.02 -1.26 -1.61 118.16 128.31 1itb n LYS 161 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1itb n LYS 161 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1itb n LYS 161 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1itb n ASP 162 N 2.41 0.23 -4.33 4.39 5.75 -1.26 -4.73 116.55 119.02 1itb n ASP 162 Ca 0.00 -1.67 -0.22 0.00 -0.01 0.00 0.00 54.79 52.89 1itb n ASP 162 Cb 0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 1itb n ASP 162 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1itb s ARG 163 N -1.72 1.26 -0.30 0.11 1.70 -0.64 -0.95 118.95 118.41 1itb s ARG 163 Ca 0.00 -1.39 -0.02 0.00 -0.47 0.00 0.00 55.73 53.85 1itb s ARG 163 Cb 0.00 -1.31 0.05 0.00 -0.57 0.00 0.00 34.95 33.11 1itb s ARG 163 CO 0.00 0.27 0.01 -1.17 -1.08 0.00 0.00 175.30 173.33 1itb s LEU 164 N -2.62 3.93 -0.46 -1.89 0.20 0.76 -1.99 118.68 116.61 1itb s LEU 164 Ca 0.15 -1.25 -0.24 0.00 0.69 0.00 0.00 54.13 53.48 1itb s LEU 164 Cb -0.06 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 44.00 1itb s LEU 164 CO 0.06 -0.26 0.85 -0.63 -0.29 0.00 0.00 176.35 176.08 1itb s ILE 165 N 1.27 4.56 -0.24 6.68 -1.09 0.83 -0.06 121.20 133.15 1itb s ILE 165 Ca -0.05 0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 58.74 1itb s ILE 165 Cb -0.20 -4.38 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 1itb s ILE 165 CO -0.01 -0.79 0.60 -0.69 -1.23 0.00 0.00 174.94 172.83 1itb s VAL 166 N 3.53 5.02 -0.14 2.92 1.01 0.20 -1.43 120.40 131.51 1itb s VAL 166 Ca 0.33 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.17 1itb s VAL 166 Cb -0.11 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1itb s VAL 166 CO 0.24 0.07 0.71 -0.04 0.00 0.00 0.00 175.10 176.08 1itb s MET 167 N 2.26 4.32 -0.90 2.72 -1.94 -0.98 -1.42 119.30 123.37 1itb s MET 167 Ca 0.26 0.82 -0.07 0.00 -1.71 0.00 0.00 55.69 55.00 1itb s MET 167 Cb -0.16 -3.52 -0.00 0.00 2.01 0.00 0.00 34.83 33.16 1itb s MET 167 CO 0.09 -0.14 0.70 0.09 -0.01 0.00 0.00 175.02 175.75 1itb n ASN 168 N 4.59 -6.10 -4.56 3.03 3.02 -1.26 -4.84 115.26 109.14 1itb n ASN 168 Ca 0.00 -0.66 -0.50 0.00 -0.03 0.00 0.00 54.58 53.40 1itb n ASN 168 Cb 0.50 -3.58 -0.04 0.00 -0.61 0.00 0.00 39.78 36.05 1itb n ASN 168 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1itb n VAL 169 N -2.81 0.88 -4.46 2.41 0.31 -1.09 -4.60 118.33 108.97 1itb n VAL 169 Ca -0.13 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 1itb n VAL 169 Cb 0.59 -0.74 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 1itb n VAL 169 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1itb s ALA 170 N -0.22 2.61 0.31 3.52 0.00 -1.26 -0.00 121.76 126.71 1itb s ALA 170 Ca 0.74 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1itb s ALA 170 Cb -0.89 0.82 0.50 0.00 0.00 0.00 0.00 23.12 23.56 1itb s ALA 170 CO 0.53 -0.37 1.86 1.49 0.00 0.00 0.00 175.76 179.27 1itb h GLU 171 N 1.94 0.71 -0.25 0.00 4.57 -1.99 -2.61 114.58 116.96 1itb h GLU 171 Ca -0.36 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1itb h GLU 171 Cb 1.26 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1itb h GLU 171 CO 0.58 0.65 0.00 0.36 -1.18 0.00 0.00 179.01 179.42 1itb n LYS 172 N -4.29 0.48 0.00 1.92 2.85 -1.26 -1.83 118.16 116.04 1itb n LYS 172 Ca 0.03 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.35 1itb n LYS 172 Cb 0.22 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.46 1itb n LYS 172 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1itb n HIS 173 N -0.12 0.00 -1.85 5.58 8.25 -0.98 -4.99 115.22 121.12 1itb n HIS 173 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1itb n HIS 173 Cb 0.06 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.21 1itb n HIS 173 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1itb s ARG 174 N -1.67 3.01 0.00 -0.41 0.52 -0.76 -4.89 118.95 114.75 1itb s ARG 174 Ca 0.09 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1itb s ARG 174 Cb 0.10 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1itb s ARG 174 CO 0.34 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 174.83 1itb n GLY 175 N 0.71 1.26 3.54 -3.53 0.00 -1.17 -5.00 105.19 101.01 1itb n GLY 175 Ca 0.12 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1itb n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1itb s ASN 176 N 0.00 6.20 0.18 1.61 -0.87 -1.26 -0.82 114.94 119.99 1itb s ASN 176 Ca 0.00 -0.27 -0.01 0.00 -1.57 0.00 0.00 52.86 51.01 1itb s ASN 176 Cb 0.00 -2.21 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 1itb s ASN 176 CO 0.00 -0.40 0.37 -0.31 -2.57 0.00 0.00 177.10 174.18 1itb s TYR 177 N 2.10 3.48 0.00 2.20 1.51 0.24 -0.20 117.35 126.68 1itb s TYR 177 Ca 0.13 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.52 1itb s TYR 177 Cb -0.16 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1itb s TYR 177 CO 0.12 0.41 -0.01 0.95 -1.11 0.00 0.00 175.55 175.91 1itb s THR 178 N -1.82 0.08 -0.09 -0.71 -4.23 0.38 -0.18 115.64 109.07 1itb s THR 178 Ca 0.38 -0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1itb s THR 178 Cb -0.11 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 1itb s THR 178 CO 0.29 -0.01 -0.13 0.00 -0.54 0.00 0.00 174.62 174.22 1itb s HIS 180 N -0.21 2.20 0.19 0.00 3.76 0.65 -2.77 115.29 119.11 1itb s HIS 180 Ca 0.01 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1itb s HIS 180 Cb -0.13 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.01 1itb s HIS 180 CO 0.03 -0.35 -0.02 0.00 -0.85 0.00 0.00 174.74 173.55 1itb s ALA 181 N 0.38 1.55 -0.25 -1.40 0.00 -0.42 -1.18 121.76 120.43 1itb s ALA 181 Ca -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 1itb s ALA 181 Cb -0.17 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.45 1itb s ALA 181 CO 0.07 -0.25 0.03 0.45 0.00 0.00 0.00 175.76 176.06 1itb s SER 182 N -3.22 3.61 -0.21 0.00 0.15 -1.26 -0.75 113.70 112.01 1itb s SER 182 Ca 0.24 -1.23 -0.15 0.00 0.70 0.00 0.00 55.95 55.50 1itb s SER 182 Cb 0.05 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 1itb s SER 182 CO 0.05 -0.32 0.38 -0.47 1.20 0.00 0.00 173.24 174.08 1itb s TYR 183 N 1.61 3.35 -0.45 3.44 5.04 0.90 -4.85 117.35 126.39 1itb s TYR 183 Ca 0.01 0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 54.94 1itb s TYR 183 Cb -0.18 -2.51 0.03 0.00 0.35 0.00 0.00 41.96 39.64 1itb s TYR 183 CO -0.13 -0.04 0.97 0.99 -1.34 0.00 0.00 175.55 176.00 1itb s THR 184 N 1.41 4.43 -0.28 4.34 2.01 -1.26 -0.21 115.64 126.08 1itb s THR 184 Ca 0.18 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.09 1itb s THR 184 Cb -0.15 -4.46 0.08 0.00 0.01 0.00 0.00 72.50 67.99 1itb s THR 184 CO 0.08 -0.83 0.03 -0.47 -0.69 0.00 0.00 174.62 172.73 1itb s TYR 185 N 3.87 2.34 -0.46 4.92 5.04 -0.68 -4.77 117.35 127.61 1itb s TYR 185 Ca 0.39 -1.94 -0.00 0.00 -2.44 0.00 0.00 57.07 53.09 1itb s TYR 185 Cb -0.10 -1.86 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 1itb s TYR 185 CO 0.26 -0.83 0.38 1.28 -1.34 0.00 0.00 175.55 175.30 1itb n LEU 186 N 4.67 -2.78 0.00 6.97 4.77 -1.26 -3.70 117.00 125.67 1itb n LEU 186 Ca -0.05 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1itb n LEU 186 Cb 0.43 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1itb n LEU 186 CO 0.16 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1itb n GLY 187 N -1.05 1.39 3.60 -0.72 0.00 -1.26 -4.91 105.19 102.23 1itb n GLY 187 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1itb n GLY 187 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itb s LYS 188 N 0.00 3.91 -0.20 1.61 -2.85 -1.24 -5.01 119.74 115.96 1itb s LYS 188 Ca 0.00 0.20 -0.22 0.00 -1.00 0.00 0.00 55.97 54.95 1itb s LYS 188 Cb 0.00 -3.71 -0.02 0.00 -2.06 0.00 0.00 37.83 32.04 1itb s LYS 188 CO 0.00 -0.49 0.67 1.14 0.10 0.00 0.00 175.35 176.78 1itb s GLN 189 N 2.42 4.21 0.22 1.78 -2.07 -1.26 -1.68 119.66 123.28 1itb s GLN 189 Ca 0.22 0.69 0.05 0.00 -1.82 0.00 0.00 55.36 54.50 1itb s GLN 189 Cb -0.15 -3.59 -0.03 0.00 -1.09 0.00 0.00 33.01 28.15 1itb s GLN 189 CO 0.11 -0.29 0.30 0.71 -1.32 0.00 0.00 175.29 174.80 1itb s TYR 190 N 2.06 3.37 0.58 9.60 1.51 0.71 -4.86 117.35 130.32 1itb s TYR 190 Ca 0.30 -0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1itb s TYR 190 Cb -0.16 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1itb s TYR 190 CO 0.10 0.48 0.84 -1.25 -1.11 0.00 0.00 175.55 174.61 1itb s PRO 191 N -3.74 2.59 -0.21 -1.71 0.04 -1.26 -0.07 135.00 130.64 1itb s PRO 191 Ca 0.34 -0.47 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 1itb s PRO 191 Cb -0.09 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.13 1itb s PRO 191 CO 0.28 -0.78 0.53 0.42 0.04 0.00 0.00 177.00 177.48 1itb s ILE 192 N -2.90 -0.01 0.03 0.56 1.01 0.07 -3.29 121.20 116.67 1itb s ILE 192 Ca 0.56 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.25 1itb s ILE 192 Cb -0.10 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1itb s ILE 192 CO 0.41 0.02 -0.03 0.42 0.00 0.00 0.00 174.94 175.76 1itb s THR 193 N 1.17 0.14 0.00 2.92 -4.23 -1.26 -1.30 115.64 113.08 1itb s THR 193 Ca -0.07 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1itb s THR 193 Cb -0.06 -0.50 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 1itb s THR 193 CO -0.11 -0.59 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.25 1itb s ARG 194 N -1.91 0.03 -0.03 3.99 3.00 -1.12 -4.84 118.95 118.07 1itb s ARG 194 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 55.73 55.58 1itb s ARG 194 Cb -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 34.95 34.85 1itb s ARG 194 CO -0.03 -0.00 -0.04 0.08 0.00 0.00 0.00 175.30 175.31 1itb s VAL 195 N -0.10 3.87 -0.11 3.52 1.01 -1.26 -2.08 120.40 125.25 1itb s VAL 195 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1itb s VAL 195 Cb -0.01 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1itb s VAL 195 CO -0.00 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 174.90 1itb s ILE 196 N -0.95 0.85 -0.40 2.22 1.01 0.75 -1.67 121.20 123.00 1itb s ILE 196 Ca 0.16 -0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 1itb s ILE 196 Cb -0.11 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.44 1itb s ILE 196 CO 0.06 0.29 0.80 -0.70 0.00 0.00 0.00 174.94 175.39 1itb s GLU 197 N 1.77 3.61 -0.35 2.79 2.12 -0.61 -0.59 118.70 127.45 1itb s GLU 197 Ca 0.04 0.16 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 1itb s GLU 197 Cb -0.13 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.40 1itb s GLU 197 CO -0.07 -0.98 0.72 0.12 -0.54 0.00 0.00 175.26 174.51 1itb s PHE 198 N 3.24 3.14 -0.21 5.30 5.36 0.00 -1.79 117.98 133.03 1itb s PHE 198 Ca 0.32 0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 56.78 1itb s PHE 198 Cb -0.12 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1itb s PHE 198 CO 0.20 -0.66 -0.05 0.42 -1.46 0.00 0.00 175.22 173.67 1itb s ILE 199 N 2.92 3.32 0.26 3.12 1.01 -0.27 -3.02 121.20 128.54 1itb s ILE 199 Ca 0.29 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1itb s ILE 199 Cb -0.14 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.74 1itb s ILE 199 CO 0.15 0.43 0.94 0.42 0.00 0.00 0.00 174.94 176.88 1itb s THR 200 N 1.41 4.11 0.15 2.92 -4.23 -1.26 -2.24 115.64 116.50 1itb s THR 200 Ca 0.05 2.02 0.04 0.00 -1.18 0.00 0.00 61.69 62.63 1itb s THR 200 Cb -0.14 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 1itb s THR 200 CO -0.03 0.42 0.16 -0.76 -0.54 0.00 0.00 174.62 173.87 1itb s LEU 201 N -1.37 3.92 0.39 4.79 1.43 -0.55 -4.87 118.68 122.43 1itb s LEU 201 Ca 0.43 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.21 1itb s LEU 201 Cb -0.24 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 1itb s LEU 201 CO 0.30 0.08 1.36 -0.70 0.23 0.00 0.00 176.35 177.62 1itb s GLU 202 N -3.06 4.04 0.35 1.70 2.12 -1.26 -0.54 118.70 122.05 1itb s GLU 202 Ca 0.32 2.30 -0.27 0.00 0.36 0.00 0.00 54.97 57.67 1itb s GLU 202 Cb -0.10 -2.86 -0.12 0.00 0.26 0.00 0.00 34.13 31.31 1itb s GLU 202 CO 0.24 -0.48 1.19 -1.91 -0.54 0.00 0.00 175.26 173.76 1itb n GLU 203 N 0.30 1.83 -3.18 4.30 2.13 -1.26 -4.56 120.64 120.19 1itb n GLU 203 Ca 0.02 0.65 -0.45 0.00 0.66 0.00 0.00 57.16 58.04 1itb n GLU 203 Cb 0.42 -2.19 -0.04 0.00 0.27 0.00 0.00 31.44 29.90 1itb n GLU 203 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1itb s ASN 204 N -0.45 6.43 -0.08 4.31 2.47 -1.26 -5.00 114.94 121.36 1itb s ASN 204 Ca 0.58 -1.98 -0.22 0.00 0.42 0.00 0.00 52.86 51.66 1itb s ASN 204 Cb -0.59 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 36.90 1itb s ASN 204 CO 0.61 -0.90 0.63 -0.54 -3.72 0.00 0.00 177.10 173.18 1itb s LYS 205 N 1.72 4.40 -0.14 0.43 1.02 -1.26 -5.05 119.74 120.86 1itb s LYS 205 Ca 0.15 0.74 -0.27 0.00 0.02 0.00 0.00 55.97 56.61 1itb s LYS 205 Cb -0.18 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1itb s LYS 205 CO -0.01 0.09 0.92 -1.25 -0.92 0.00 0.00 175.35 174.17 1itb s PRO 206 N 0.76 4.35 -0.03 -1.68 0.04 -1.26 -5.05 135.00 132.13 1itb s PRO 206 Ca 0.34 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 1itb s PRO 206 Cb -0.17 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.84 1itb s PRO 206 CO 0.16 -0.33 0.05 0.95 0.04 0.00 0.00 177.00 177.86 1itb s THR 207 N 2.12 -0.09 0.35 1.26 -4.23 -1.26 -5.14 115.64 108.65 1itb s THR 207 Ca 0.43 0.32 -0.28 0.00 -1.18 0.00 0.00 61.69 60.99 1itb s THR 207 Cb -0.17 -0.12 -0.10 0.00 1.34 0.00 0.00 72.50 73.45 1itb s THR 207 CO 0.14 0.13 1.23 0.00 -0.54 0.00 0.00 174.62 175.59 1itb s ARG 208 N 1.63 4.29 0.70 3.99 1.70 -1.26 -4.91 118.95 125.10 1itb s ARG 208 Ca -0.02 2.03 -0.11 0.00 -0.47 0.00 0.00 55.73 57.16 1itb s ARG 208 Cb -0.12 -2.96 0.02 0.00 -0.57 0.00 0.00 34.95 31.31 1itb s ARG 208 CO -0.03 -0.17 1.07 -1.25 -1.08 0.00 0.00 175.30 173.83 1itb s PRO 209 N -1.90 2.80 -0.29 3.89 0.04 -1.26 -4.98 135.00 133.29 1itb s PRO 209 Ca 0.51 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1itb s PRO 209 Cb -0.36 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1itb s PRO 209 CO 0.47 -1.21 0.03 0.08 0.04 0.00 0.00 177.00 176.40 1itb s VAL 210 N -2.94 3.43 -0.22 -0.36 1.01 -0.72 -4.90 120.40 115.71 1itb s VAL 210 Ca 0.59 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1itb s VAL 210 Cb -0.15 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1itb s VAL 210 CO 0.53 0.04 1.23 -0.63 0.00 0.00 0.00 175.10 176.27 1itb s ILE 211 N 1.39 4.32 -0.17 2.22 1.01 -1.26 -0.19 121.20 128.52 1itb s ILE 211 Ca -0.00 1.57 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 1itb s ILE 211 Cb -0.18 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 37.95 1itb s ILE 211 CO -0.00 -0.25 0.39 0.58 0.00 0.00 0.00 174.94 175.66 1itb h VAL 212 N 5.62 1.09 0.01 2.92 2.07 0.34 -3.46 116.25 124.84 1itb h VAL 212 Ca -0.25 -2.26 -0.38 0.00 0.82 0.00 0.00 66.70 64.64 1itb h VAL 212 Cb 1.09 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 33.35 1itb h VAL 212 CO 0.99 0.47 -2.37 -0.24 0.02 0.00 0.00 177.57 176.44 1itb n SER 213 N -4.32 1.41 -2.14 0.57 2.88 -1.17 -4.42 113.62 106.43 1itb n SER 213 Ca -0.27 -0.04 -0.15 0.00 -1.33 0.00 0.00 58.87 57.08 1itb n SER 213 Cb 0.70 -0.06 -0.15 0.00 -0.75 0.00 0.00 64.21 63.95 1itb n SER 213 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1itb n PRO 214 N -3.13 2.18 -0.24 -1.46 -0.02 -1.26 -4.83 135.00 126.24 1itb n PRO 214 Ca -0.40 -1.17 -0.11 0.00 -2.02 0.00 0.00 63.50 59.80 1itb n PRO 214 Cb 1.04 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1itb n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itb n ALA 215 N 2.52 1.77 -3.81 3.55 0.00 -1.26 -1.63 120.51 121.64 1itb n ALA 215 Ca 0.46 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 1itb n ALA 215 Cb 0.84 -2.78 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1itb n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1itb n ASN 216 N 5.39 -4.92 -0.97 0.00 3.02 -0.87 -4.88 115.26 112.04 1itb n ASN 216 Ca 0.16 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1itb n ASN 216 Cb 0.09 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 1itb n ASN 216 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1itb n GLU 217 N -3.47 1.06 -4.33 3.52 0.28 -0.82 -4.92 120.64 111.96 1itb n GLU 217 Ca -0.21 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.59 1itb n GLU 217 Cb 0.63 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.39 1itb n GLU 217 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1itb s THR 218 N -1.16 1.74 -0.05 3.84 -4.23 -1.26 -0.40 115.64 114.13 1itb s THR 218 Ca 0.00 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1itb s THR 218 Cb 0.00 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 72.01 1itb s THR 218 CO 0.00 -0.40 0.12 -0.32 -0.54 0.00 0.00 174.62 173.48 1itb s MET 219 N -3.00 0.10 -0.14 3.99 1.75 0.13 -4.87 119.30 117.25 1itb s MET 219 Ca 0.17 0.26 -0.24 0.00 -1.25 0.00 0.00 55.69 54.63 1itb s MET 219 Cb -0.04 -0.08 -0.02 0.00 2.84 0.00 0.00 34.83 37.53 1itb s MET 219 CO 0.06 -0.10 0.74 -1.21 -0.65 0.00 0.00 175.02 173.87 1itb s GLU 220 N 0.66 4.32 0.01 4.11 2.02 -1.26 -0.54 118.70 128.03 1itb s GLU 220 Ca -0.05 0.88 0.01 0.00 0.02 0.00 0.00 54.97 55.82 1itb s GLU 220 Cb -0.07 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 1itb s GLU 220 CO -0.03 -0.19 -0.03 0.14 0.02 0.00 0.00 175.26 175.17 1itb s VAL 221 N 1.68 0.20 0.15 2.63 -7.23 -0.55 -4.88 120.40 112.40 1itb s VAL 221 Ca 0.36 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 1itb s VAL 221 Cb -0.17 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.47 1itb s VAL 221 CO 0.14 -0.17 1.02 -1.81 -0.31 0.00 0.00 175.10 173.96 1itb s ASP 222 N -0.67 7.42 0.22 4.85 1.01 -1.26 -4.17 116.67 124.06 1itb s ASP 222 Ca -0.06 1.93 0.11 0.00 0.71 0.00 0.00 52.55 55.25 1itb s ASP 222 Cb -0.05 -2.60 0.61 0.00 1.01 0.00 0.00 42.92 41.90 1itb s ASP 222 CO -0.00 -0.11 1.26 -0.11 0.21 0.00 0.00 175.17 176.42 1itb n LEU 223 N 2.49 0.29 -0.10 1.23 7.94 -1.26 -3.17 117.00 124.41 1itb n LEU 223 Ca 0.02 0.55 -0.16 0.00 -1.11 0.00 0.00 56.01 55.31 1itb n LEU 223 Cb 0.48 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 1itb n LEU 223 CO 0.52 -0.65 -1.16 0.61 -1.11 0.00 0.00 177.39 175.60 1itb n GLY 224 N -1.31 -0.29 1.57 -3.96 0.00 -1.26 -4.34 105.19 95.60 1itb n GLY 224 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1itb n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itb n SER 225 N -3.34 -2.09 -4.20 1.61 3.41 -1.19 -3.31 113.62 104.51 1itb n SER 225 Ca -0.37 -0.23 -0.25 0.00 -0.26 0.00 0.00 58.87 57.77 1itb n SER 225 Cb 0.84 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 1itb n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itb s GLN 226 N -2.54 1.40 0.25 4.33 -2.07 -1.25 -0.75 119.66 119.03 1itb s GLN 226 Ca 0.17 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 52.97 1itb s GLN 226 Cb -0.03 -1.41 -0.05 0.00 -1.09 0.00 0.00 33.01 30.43 1itb s GLN 226 CO 0.15 0.38 0.11 0.96 -1.32 0.00 0.00 175.29 175.56 1itb s ILE 227 N -0.58 0.45 -0.15 3.63 -4.36 -0.43 -5.00 121.20 114.77 1itb s ILE 227 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1itb s ILE 227 Cb -0.08 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1itb s ILE 227 CO 0.00 0.00 -0.13 -1.10 0.24 0.00 0.00 174.94 173.95 1itb s GLN 228 N -4.04 2.17 -0.20 0.37 -0.21 -1.26 -1.26 119.66 115.23 1itb s GLN 228 Ca 0.38 -0.52 -0.06 0.00 0.02 0.00 0.00 55.36 55.17 1itb s GLN 228 Cb 0.07 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 1itb s GLN 228 CO 0.14 -0.25 0.04 -0.51 -2.12 0.00 0.00 175.29 172.58 1itb s LEU 229 N 1.52 3.52 -0.16 2.90 1.02 0.24 -4.95 118.68 122.77 1itb s LEU 229 Ca 0.05 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.11 1itb s LEU 229 Cb -0.13 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.18 1itb s LEU 229 CO -0.10 0.10 -0.13 -0.63 0.02 0.00 0.00 176.35 175.60 1itb s ILE 230 N 0.83 2.87 -0.27 -0.59 1.01 -1.26 -0.39 121.20 123.40 1itb s ILE 230 Ca 0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1itb s ILE 230 Cb -0.14 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1itb s ILE 230 CO 0.02 0.50 0.23 0.00 0.00 0.00 0.00 174.94 175.70 1itb s ASN 232 N 1.56 4.63 -0.01 0.00 3.84 -1.26 -1.95 114.94 121.75 1itb s ASN 232 Ca 0.09 -0.52 0.07 0.00 0.21 0.00 0.00 52.86 52.71 1itb s ASN 232 Cb -0.15 -1.79 -0.03 0.00 -0.55 0.00 0.00 41.25 38.73 1itb s ASN 232 CO 0.09 -0.08 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.42 1itb s VAL 233 N 1.48 2.50 -0.37 -5.21 1.01 -0.74 0.10 120.40 119.18 1itb s VAL 233 Ca 0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1itb s VAL 233 Cb -0.15 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.36 1itb s VAL 233 CO -0.01 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.82 1itb s THR 234 N -0.74 2.90 0.00 3.92 2.01 0.73 -0.98 115.64 123.48 1itb s THR 234 Ca 0.12 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 60.06 1itb s THR 234 Cb -0.10 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1itb s THR 234 CO 0.01 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.98 1itb n GLY 235 N 4.48 2.37 3.86 4.40 0.00 0.25 -1.75 105.19 118.80 1itb n GLY 235 Ca -0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1itb n GLY 235 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1itb s GLN 236 N 1.19 2.13 0.29 1.61 -0.21 -1.26 -0.50 119.66 122.92 1itb s GLN 236 Ca 0.00 0.34 0.26 0.00 0.02 0.00 0.00 55.36 55.98 1itb s GLN 236 Cb 0.00 -1.95 0.84 0.00 1.00 0.00 0.00 33.01 32.90 1itb s GLN 236 CO 0.00 -1.52 1.75 -0.07 -2.12 0.00 0.00 175.29 173.33 1itb h LEU 237 N -1.01 0.00 -0.42 2.90 4.07 -1.92 -2.84 115.31 116.09 1itb h LEU 237 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1itb h LEU 237 Cb 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1itb h LEU 237 CO 0.63 0.00 -0.02 -1.54 -1.08 0.00 0.00 178.44 176.43 1itb n SER 238 N -2.47 0.67 -4.80 -0.43 3.41 -1.26 -4.78 113.62 103.96 1itb n SER 238 Ca 0.04 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 57.16 1itb n SER 238 Cb 0.38 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1itb n SER 238 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1itb s ASP 239 N -2.10 7.11 0.31 4.04 1.01 -1.08 -4.87 116.67 121.09 1itb s ASP 239 Ca 0.40 1.32 0.08 0.00 0.71 0.00 0.00 52.55 55.06 1itb s ASP 239 Cb 0.21 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 1itb s ASP 239 CO 0.38 0.26 0.11 0.27 0.21 0.00 0.00 175.17 176.40 1itb s ILE 240 N -1.09 3.35 -0.08 0.77 -4.36 -0.51 -4.92 121.20 114.36 1itb s ILE 240 Ca 0.30 -1.72 -0.03 0.00 -0.26 0.00 0.00 60.65 58.94 1itb s ILE 240 Cb -0.20 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.56 1itb s ILE 240 CO 0.20 -0.26 0.12 0.00 0.24 0.00 0.00 174.94 175.24 1itb s ALA 241 N -2.35 0.04 0.07 2.27 0.00 -1.26 -2.15 121.76 118.37 1itb s ALA 241 Ca 0.35 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1itb s ALA 241 Cb -0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1itb s ALA 241 CO 0.22 -0.64 0.14 1.52 0.00 0.00 0.00 175.76 177.00 1itb s TYR 242 N 2.24 0.22 0.08 0.00 1.13 -0.86 -4.73 117.35 115.43 1itb s TYR 242 Ca 0.04 -0.64 -0.01 0.00 -1.41 0.00 0.00 57.07 55.05 1itb s TYR 242 Cb -0.13 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1itb s TYR 242 CO -0.05 -0.48 0.24 -1.58 -2.51 0.00 0.00 175.55 171.17 1itb s TRP 243 N -3.61 3.51 -0.04 -3.49 0.52 -1.26 -0.45 118.94 114.12 1itb s TRP 243 Ca 0.03 0.30 -0.04 0.00 0.02 0.00 0.00 56.10 56.41 1itb s TRP 243 Cb 0.04 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1itb s TRP 243 CO -0.09 0.56 0.11 0.15 0.02 0.00 0.00 176.95 177.70 1itb s LYS 244 N -2.57 0.15 -0.10 4.98 1.02 -0.72 -3.72 119.74 118.78 1itb s LYS 244 Ca 0.36 0.11 -0.00 0.00 0.02 0.00 0.00 55.97 56.46 1itb s LYS 244 Cb -0.13 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1itb s LYS 244 CO 0.27 -0.02 -0.06 -0.46 -0.92 0.00 0.00 175.35 174.16 1itb s TRP 245 N -0.04 1.29 -0.99 3.18 -0.00 0.75 -1.24 118.94 121.89 1itb s TRP 245 Ca -0.01 -0.59 -0.05 0.00 -0.00 0.00 0.00 56.10 55.45 1itb s TRP 245 Cb -0.01 -1.11 -0.06 0.00 -0.00 0.00 0.00 33.47 32.29 1itb s TRP 245 CO 0.00 -0.44 0.88 -1.71 -0.00 0.00 0.00 176.95 175.68 1itb n ASN 246 N 4.84 -6.86 0.00 5.86 2.85 -1.24 -2.83 115.26 117.88 1itb n ASN 246 Ca -0.13 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 1itb n ASN 246 Cb 0.50 -5.22 0.00 0.00 1.24 0.00 0.00 39.78 36.30 1itb n ASN 246 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1itb n GLY 247 N -1.33 0.09 3.02 8.20 0.00 -1.26 -4.96 105.19 108.94 1itb n GLY 247 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1itb n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1itb s SER 248 N -2.06 0.68 0.73 1.61 0.01 -1.13 -5.13 113.70 108.42 1itb s SER 248 Ca 0.00 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 1itb s SER 248 Cb 0.00 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1itb s SER 248 CO 0.00 -0.14 1.08 -0.69 0.41 0.00 0.00 173.24 173.91 1itb s VAL 249 N -1.00 3.54 -0.23 3.43 1.01 -1.26 -0.17 120.40 125.71 1itb s VAL 249 Ca -0.07 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 1itb s VAL 249 Cb -0.07 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1itb s VAL 249 CO 0.00 -0.62 1.01 -0.63 0.00 0.00 0.00 175.10 174.87 1itb s ILE 250 N -2.85 4.70 0.42 2.22 1.09 -1.24 -4.81 121.20 120.72 1itb s ILE 250 Ca 0.61 1.97 -0.23 0.00 -1.10 0.00 0.00 60.65 61.90 1itb s ILE 250 Cb -0.17 -4.29 -0.09 0.00 -1.06 0.00 0.00 42.46 36.86 1itb s ILE 250 CO 0.53 -0.17 1.04 -0.62 -0.10 0.00 0.00 174.94 175.62 1itb s ASP 251 N 1.22 6.67 0.26 3.58 2.15 -1.26 -4.95 116.67 124.34 1itb s ASP 251 Ca 0.43 2.00 0.01 0.00 0.43 0.00 0.00 52.55 55.42 1itb s ASP 251 Cb -0.15 -2.58 0.34 0.00 -0.30 0.00 0.00 42.92 40.23 1itb s ASP 251 CO 0.06 -0.55 1.68 -0.08 -0.17 0.00 0.00 175.17 176.11 1itb h GLU 252 N 2.27 0.53 -1.05 4.34 4.81 -1.95 -2.79 114.58 120.74 1itb h GLU 252 Ca -0.49 -0.22 -0.40 0.00 -0.13 0.00 0.00 59.36 58.13 1itb h GLU 252 Cb 1.21 -0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.35 1itb h GLU 252 CO 0.61 0.76 0.51 -0.25 -0.73 0.00 0.00 179.01 179.91 1itb n ASP 253 N -4.10 4.17 -4.74 1.04 8.00 -1.26 -4.91 116.55 114.75 1itb n ASP 253 Ca -0.01 -3.22 -0.38 0.00 0.71 0.00 0.00 54.79 51.90 1itb n ASP 253 Cb 0.43 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 1itb n ASP 253 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1itb s ASP 254 N -0.70 6.70 0.31 -2.24 -1.08 -1.05 -5.01 116.67 113.60 1itb s ASP 254 Ca 0.43 0.84 0.26 0.00 -0.52 0.00 0.00 52.55 53.55 1itb s ASP 254 Cb 0.35 -2.28 0.87 0.00 -1.46 0.00 0.00 42.92 40.40 1itb s ASP 254 CO 0.06 0.05 1.76 1.55 0.52 0.00 0.00 175.17 179.11 1itb h PRO 255 N 6.41 0.00 0.00 4.34 0.13 -1.91 -3.38 132.00 137.60 1itb h PRO 255 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1itb h PRO 255 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1itb h PRO 255 CO 0.74 0.00 -0.82 1.33 -0.23 0.00 0.00 178.00 179.01 1itb n VAL 256 N -2.50 0.00 -4.26 1.56 0.24 -1.26 -4.91 118.33 107.20 1itb n VAL 256 Ca 0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 1itb n VAL 256 Cb 0.37 -0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.64 1itb n VAL 256 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1itb s LEU 257 N -2.81 3.67 -0.23 1.34 1.43 -1.26 -1.78 118.68 119.05 1itb s LEU 257 Ca 0.00 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1itb s LEU 257 Cb 0.00 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.42 1itb s LEU 257 CO 0.00 0.32 0.58 -0.83 0.23 0.00 0.00 176.35 176.65 1itb s GLY 258 N -0.55 -0.48 0.17 -3.19 0.00 -0.98 -4.54 107.32 97.74 1itb s GLY 258 Ca 0.10 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.73 1itb s GLY 258 CO 0.02 1.84 0.32 -0.54 0.00 0.00 0.00 173.10 174.75 1itb s GLU 259 N 1.06 3.47 -0.19 2.90 2.02 -1.26 -0.97 118.70 125.74 1itb s GLU 259 Ca -0.06 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 1itb s GLU 259 Cb -0.06 -2.92 0.07 0.00 0.10 0.00 0.00 34.13 31.32 1itb s GLU 259 CO -0.10 0.48 0.10 0.34 0.02 0.00 0.00 175.26 176.09 1itb s ASP 260 N -3.19 2.45 -0.09 -0.19 2.15 -0.21 -4.96 116.67 112.64 1itb s ASP 260 Ca 0.36 -0.68 -0.11 0.00 0.43 0.00 0.00 52.55 52.55 1itb s ASP 260 Cb -0.11 -0.23 -0.05 0.00 -0.30 0.00 0.00 42.92 42.23 1itb s ASP 260 CO 0.29 -0.36 0.26 -0.31 -0.17 0.00 0.00 175.17 174.88 1itb s TYR 261 N 2.14 3.62 0.13 -5.34 1.51 -1.26 -0.95 117.35 117.20 1itb s TYR 261 Ca 0.03 0.70 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1itb s TYR 261 Cb -0.16 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1itb s TYR 261 CO -0.13 0.60 -0.03 0.71 -1.11 0.00 0.00 175.55 175.60 1itb s TYR 262 N -0.74 0.99 -0.08 2.71 2.02 0.10 -5.02 117.35 117.33 1itb s TYR 262 Ca 0.18 -0.99 -0.16 0.00 -0.37 0.00 0.00 57.07 55.73 1itb s TYR 262 Cb -0.14 -0.57 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1itb s TYR 262 CO 0.07 -0.21 0.39 -1.12 -1.57 0.00 0.00 175.55 173.11 1itb s SER 263 N -3.09 -0.34 -0.20 2.29 0.01 -1.26 -1.66 113.70 109.45 1itb s SER 263 Ca 0.17 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.86 1itb s SER 263 Cb 0.06 0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.94 1itb s SER 263 CO -0.01 -0.33 0.21 -0.69 0.41 0.00 0.00 173.24 172.83 1itb s VAL 264 N -0.65 -0.31 0.14 3.43 1.01 -0.77 -5.01 120.40 118.23 1itb s VAL 264 Ca -0.08 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1itb s VAL 264 Cb -0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.60 1itb s VAL 264 CO 0.03 -0.21 1.26 -0.70 0.00 0.00 0.00 175.10 175.49 1itb s GLU 265 N 2.32 4.41 -0.44 2.72 2.12 -1.26 -2.05 118.70 126.53 1itb s GLU 265 Ca 0.07 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 57.08 1itb s GLU 265 Cb -0.16 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1itb s GLU 265 CO -0.12 -0.25 0.85 1.21 -0.54 0.00 0.00 175.26 176.42 1itb s ASN 266 N 0.66 6.49 0.37 -1.70 2.47 -1.26 -4.94 114.94 117.03 1itb s ASN 266 Ca 0.58 0.10 0.11 0.00 0.42 0.00 0.00 52.86 54.07 1itb s ASN 266 Cb -0.33 -2.42 0.90 0.00 -1.45 0.00 0.00 41.25 37.94 1itb s ASN 266 CO 0.33 -0.94 1.86 -0.65 -3.72 0.00 0.00 177.10 173.98 1itb h PRO 267 N 8.92 0.58 0.00 0.43 0.11 -1.94 -2.75 132.00 137.35 1itb h PRO 267 Ca -0.24 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 1itb h PRO 267 Cb 1.08 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1itb h PRO 267 CO 0.98 0.39 -0.81 0.00 -0.21 0.00 0.00 178.00 178.35 1itb h ALA 268 N 1.61 0.58 -0.85 -0.75 0.00 -1.97 -3.43 119.26 114.44 1itb h ALA 268 Ca 0.46 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1itb h ALA 268 Cb 0.86 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.32 1itb h ALA 268 CO -0.20 1.01 -0.34 1.21 0.00 0.00 0.00 179.25 180.93 1itb s ASN 269 N -6.69 -1.36 0.29 0.00 2.47 -1.07 -5.03 114.94 103.55 1itb s ASN 269 Ca 0.01 -0.17 0.18 0.00 0.42 0.00 0.00 52.86 53.30 1itb s ASN 269 Cb 0.10 1.80 0.99 0.00 -1.45 0.00 0.00 41.25 42.70 1itb s ASN 269 CO 0.79 -0.21 1.54 2.29 -3.72 0.00 0.00 177.10 177.78 1itb n LYS 270 N 4.92 0.12 -0.00 0.43 -0.00 -1.06 -0.60 118.16 121.97 1itb n LYS 270 Ca 0.08 0.61 0.14 0.00 -0.00 0.00 0.00 58.31 59.14 1itb n LYS 270 Cb 0.56 -1.95 0.67 0.00 -0.00 0.00 0.00 35.03 34.32 1itb n LYS 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1itb n ARG 271 N -2.15 1.41 -2.63 -1.58 1.74 -1.26 -3.73 116.66 108.46 1itb n ARG 271 Ca -0.01 -0.59 -0.17 0.00 -0.77 0.00 0.00 57.85 56.31 1itb n ARG 271 Cb 0.08 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1itb n ARG 271 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1itb n ARG 272 N -0.27 2.05 -3.14 5.56 1.74 0.24 -4.00 116.66 118.83 1itb n ARG 272 Ca 0.21 -3.78 -0.19 0.00 -0.77 0.00 0.00 57.85 53.32 1itb n ARG 272 Cb 0.26 -1.67 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 1itb n ARG 272 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1itb s SER 273 N -3.25 5.76 -0.12 0.55 0.01 0.34 -4.54 113.70 112.44 1itb s SER 273 Ca 0.36 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1itb s SER 273 Cb 0.43 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 1itb s SER 273 CO -0.06 -0.67 -0.15 0.42 0.41 0.00 0.00 173.24 173.19 1itb s THR 274 N -2.38 2.86 -0.10 1.44 -4.23 -0.87 -0.58 115.64 111.78 1itb s THR 274 Ca 0.50 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1itb s THR 274 Cb -0.10 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 1itb s THR 274 CO 0.34 0.53 0.23 -0.76 -0.54 0.00 0.00 174.62 174.42 1itb s LEU 275 N 0.33 4.39 -0.13 4.79 1.43 -0.15 -1.84 118.68 127.50 1itb s LEU 275 Ca -0.12 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1itb s LEU 275 Cb -0.16 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1itb s LEU 275 CO 0.06 0.34 -0.06 -0.63 0.23 0.00 0.00 176.35 176.30 1itb s ILE 276 N -0.81 0.96 -0.22 -0.59 -1.09 -0.66 -1.78 121.20 117.00 1itb s ILE 276 Ca 0.17 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1itb s ILE 276 Cb -0.13 -1.07 0.04 0.00 -1.58 0.00 0.00 42.46 39.72 1itb s ILE 276 CO 0.06 0.25 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.99 1itb s THR 277 N 1.72 2.13 -0.22 2.92 2.01 -0.82 -0.72 115.64 122.66 1itb s THR 277 Ca 0.03 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 1itb s THR 277 Cb -0.14 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1itb s THR 277 CO -0.08 0.23 0.26 -0.69 -0.69 0.00 0.00 174.62 173.65 1itb s VAL 278 N 1.19 5.30 -0.27 3.82 1.01 -0.12 -1.63 120.40 129.69 1itb s VAL 278 Ca -0.03 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 1itb s VAL 278 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1itb s VAL 278 CO -0.09 0.32 0.14 -0.22 0.00 0.00 0.00 175.10 175.25 1itb s LEU 279 N 1.10 3.78 -0.25 3.92 0.20 0.48 -1.04 118.68 126.87 1itb s LEU 279 Ca 0.12 -0.10 -0.06 0.00 0.69 0.00 0.00 54.13 54.79 1itb s LEU 279 Cb -0.14 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.57 1itb s LEU 279 CO 0.05 -0.04 0.02 0.20 -0.29 0.00 0.00 176.35 176.29 1itb s ASN 280 N 1.70 4.75 -0.36 3.68 0.01 -0.15 -0.59 114.94 123.98 1itb s ASN 280 Ca 0.07 -0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 51.70 1itb s ASN 280 Cb -0.16 -1.83 0.03 0.00 0.41 0.00 0.00 41.25 39.71 1itb s ASN 280 CO 0.08 -0.07 0.18 -0.63 -1.51 0.00 0.00 177.10 175.15 1itb s ILE 281 N 1.52 4.35 0.18 0.60 1.01 -0.39 -2.33 121.20 126.15 1itb s ILE 281 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1itb s ILE 281 Cb -0.15 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 1itb s ILE 281 CO 0.00 -0.21 1.49 0.77 0.00 0.00 0.00 174.94 177.00 1itb h SER 282 N 8.37 0.65 -2.81 3.58 4.64 -1.62 -1.13 113.55 125.23 1itb h SER 282 Ca -0.25 -0.35 -0.30 0.00 -0.47 0.00 0.00 61.79 60.41 1itb h SER 282 Cb 1.10 -0.19 -0.36 0.00 -0.31 0.00 0.00 62.40 62.65 1itb h SER 282 CO 0.65 1.07 -0.62 -0.70 -0.87 0.00 0.00 176.83 176.36 1itb s GLU 283 N -3.99 0.12 -0.06 4.77 2.12 -1.25 -3.88 118.70 116.52 1itb s GLU 283 Ca -0.08 0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 1itb s GLU 283 Cb 0.11 -0.74 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 1itb s GLU 283 CO 0.85 -0.48 1.26 0.42 -0.54 0.00 0.00 175.26 176.76 1itb s ILE 284 N 2.32 4.14 0.31 -3.70 1.01 0.07 -5.00 121.20 120.35 1itb s ILE 284 Ca 0.04 1.46 0.07 0.00 0.00 0.00 0.00 60.65 62.23 1itb s ILE 284 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1itb s ILE 284 CO -0.09 -0.02 0.27 -1.61 0.00 0.00 0.00 174.94 173.49 1itb s GLU 285 N 2.44 2.77 0.27 2.79 2.02 -1.26 -4.23 118.70 123.50 1itb s GLU 285 Ca 0.58 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.33 1itb s GLU 285 Cb -0.26 -2.50 0.60 0.00 0.10 0.00 0.00 34.13 32.07 1itb s GLU 285 CO 0.22 0.17 1.70 0.77 0.02 0.00 0.00 175.26 178.14 1itb h SER 286 N 1.31 0.23 -0.44 -0.19 0.02 -1.95 -2.15 113.55 110.37 1itb h SER 286 Ca -0.46 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1itb h SER 286 Cb 1.25 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1itb h SER 286 CO 0.59 0.01 0.29 0.08 -1.14 0.00 0.00 176.83 176.66 1itb h ARG 287 N 0.38 0.58 0.00 3.45 0.11 -2.01 -3.06 114.38 113.83 1itb h ARG 287 Ca 0.49 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1itb h ARG 287 Cb 0.87 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1itb h ARG 287 CO -0.50 0.38 0.00 1.19 0.10 0.00 0.00 179.97 181.14 1itb n PHE 288 N -4.47 0.12 0.67 4.08 3.72 -0.81 -1.47 117.46 119.30 1itb n PHE 288 Ca 0.04 0.06 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 1itb n PHE 288 Cb 0.06 -0.59 0.16 0.00 -0.94 0.00 0.00 39.48 38.16 1itb n PHE 288 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1itb n TYR 289 N -1.62 0.35 0.05 1.38 4.02 -1.16 -4.26 117.16 115.93 1itb n TYR 289 Ca 0.01 0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.79 1itb n TYR 289 Cb 0.06 -0.51 -0.15 0.00 -0.02 0.00 0.00 39.34 38.73 1itb n TYR 289 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1itb h LYS 290 N 0.00 0.31 -6.02 -0.72 1.57 -1.44 -3.46 116.57 106.81 1itb h LYS 290 Ca 0.00 -0.54 -0.57 0.00 -1.87 0.00 0.00 60.65 57.67 1itb h LYS 290 Cb 0.68 0.20 -0.26 0.00 0.08 0.00 0.00 32.23 32.93 1itb h LYS 290 CO 0.00 1.26 -0.84 -1.01 -0.57 0.00 0.00 179.45 178.29 1itb s HIS 291 N -2.47 1.77 0.55 -1.35 3.76 -1.25 -5.11 115.29 111.18 1itb s HIS 291 Ca -0.15 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.24 1itb s HIS 291 Cb 0.03 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 1itb s HIS 291 CO 0.82 0.08 0.99 -1.25 -0.85 0.00 0.00 174.74 174.54 1itb s PRO 292 N -1.16 3.81 -0.44 8.40 0.04 -1.26 -4.74 135.00 139.65 1itb s PRO 292 Ca 0.07 0.85 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 1itb s PRO 292 Cb -0.09 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1itb s PRO 292 CO 0.02 -0.37 0.73 -0.06 0.04 0.00 0.00 177.00 177.36 1itb s PHE 293 N -2.82 3.02 0.05 0.56 0.08 -0.34 -3.65 117.98 114.88 1itb s PHE 293 Ca 0.57 0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.65 1itb s PHE 293 Cb -0.10 -3.53 -0.05 0.00 -0.57 0.00 0.00 43.02 38.77 1itb s PHE 293 CO 0.40 -0.93 0.30 0.99 -0.10 0.00 0.00 175.22 175.87 1itb s THR 294 N 3.09 5.26 -0.11 0.64 2.01 -0.37 -1.21 115.64 124.95 1itb s THR 294 Ca 0.27 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1itb s THR 294 Cb -0.13 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1itb s THR 294 CO 0.21 0.27 -0.18 0.00 -0.69 0.00 0.00 174.62 174.23 1itb s PHE 296 N 0.21 2.86 -0.33 0.00 0.08 0.41 -2.49 117.98 118.71 1itb s PHE 296 Ca -0.11 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.16 1itb s PHE 296 Cb -0.16 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1itb s PHE 296 CO 0.06 -0.26 0.16 0.00 -0.10 0.00 0.00 175.22 175.07 1itb s ALA 297 N 0.56 3.22 0.08 5.36 0.00 -0.16 -2.02 121.76 128.80 1itb s ALA 297 Ca -0.07 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.40 1itb s ALA 297 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1itb s ALA 297 CO 0.03 -1.11 -0.14 0.21 0.00 0.00 0.00 175.76 174.75 1itb s LYS 298 N 1.56 0.86 0.39 0.00 2.20 -0.92 -0.24 119.74 123.59 1itb s LYS 298 Ca 0.03 -1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 54.51 1itb s LYS 298 Cb -0.18 -0.85 0.05 0.00 -1.51 0.00 0.00 37.83 35.34 1itb s LYS 298 CO 0.05 0.18 0.73 0.54 -0.36 0.00 0.00 175.35 176.50 1itb s ASN 299 N -1.87 0.26 0.63 1.43 2.20 -1.23 -1.42 114.94 114.94 1itb s ASN 299 Ca 0.00 -1.28 0.40 0.00 -0.94 0.00 0.00 52.86 51.03 1itb s ASN 299 Cb -0.09 0.83 2.15 0.00 -2.00 0.00 0.00 41.25 42.14 1itb s ASN 299 CO 0.02 -1.65 2.29 0.71 -2.94 0.00 0.00 177.10 175.54 1itb h THR 300 N 2.01 0.14 -0.72 0.54 1.35 -1.98 -2.80 112.91 111.46 1itb h THR 300 Ca -0.32 -0.09 -0.23 0.00 -0.55 0.00 0.00 66.41 65.21 1itb h THR 300 Cb 1.25 1.08 -0.14 0.00 -1.73 0.00 0.00 68.15 68.61 1itb h THR 300 CO 0.42 0.01 0.29 1.41 -0.25 0.00 0.00 175.52 177.40 1itb n HIS 301 N -3.26 2.36 0.00 4.73 8.25 -1.26 -5.02 115.22 121.02 1itb n HIS 301 Ca -0.03 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.25 1itb n HIS 301 Cb 0.11 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1itb n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1itb n GLY 302 N -0.19 2.95 3.98 -1.41 0.00 -1.06 -4.84 105.19 104.63 1itb n GLY 302 Ca 0.40 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1itb n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itb s ILE 303 N -2.12 2.38 -0.09 -0.61 1.01 -1.26 -3.57 121.20 116.93 1itb s ILE 303 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1itb s ILE 303 Cb 0.00 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.73 1itb s ILE 303 CO 0.00 0.00 0.24 -0.62 0.00 0.00 0.00 174.94 174.56 1itb s ASP 304 N -4.58 -0.25 0.07 3.58 2.15 0.67 -4.94 116.67 113.37 1itb s ASP 304 Ca 0.62 0.50 0.06 0.00 0.43 0.00 0.00 52.55 54.15 1itb s ASP 304 Cb -0.08 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1itb s ASP 304 CO 0.42 -0.11 -0.16 0.00 -0.17 0.00 0.00 175.17 175.14 1itb s ALA 305 N 0.49 1.37 -0.28 3.66 0.00 -1.26 -0.99 121.76 124.76 1itb s ALA 305 Ca -0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 1itb s ALA 305 Cb -0.04 -0.17 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1itb s ALA 305 CO -0.03 0.24 0.71 0.00 0.00 0.00 0.00 175.76 176.69 1itb s ALA 306 N -1.12 -1.85 0.41 0.00 0.00 -1.04 -4.92 121.76 113.25 1itb s ALA 306 Ca 0.02 2.26 0.07 0.00 0.00 0.00 0.00 51.96 54.31 1itb s ALA 306 Cb -0.09 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 1itb s ALA 306 CO 0.02 -0.36 0.09 1.52 0.00 0.00 0.00 175.76 177.03 1itb s TYR 307 N 1.12 2.55 -0.16 0.00 -0.85 -0.65 -0.35 117.35 119.00 1itb s TYR 307 Ca -0.06 -0.64 -0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1itb s TYR 307 Cb -0.05 -1.86 0.05 0.00 0.38 0.00 0.00 41.96 40.48 1itb s TYR 307 CO -0.11 0.32 0.02 0.42 -1.52 0.00 0.00 175.55 174.68 1itb s ILE 308 N -2.66 0.52 -0.33 -3.49 -1.09 -0.35 -1.94 121.20 111.86 1itb s ILE 308 Ca 0.37 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.24 1itb s ILE 308 Cb 0.07 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 40.00 1itb s ILE 308 CO 0.20 -0.09 0.36 -1.58 -1.23 0.00 0.00 174.94 172.60 1itb s GLN 309 N 1.87 3.67 0.22 2.79 2.00 0.46 -1.20 119.66 129.47 1itb s GLN 309 Ca 0.01 -0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 52.75 1itb s GLN 309 Cb -0.16 -3.77 -0.08 0.00 0.80 0.00 0.00 33.01 29.80 1itb s GLN 309 CO -0.07 -0.47 1.03 -0.51 -0.50 0.00 0.00 175.29 174.77 1itb s LEU 310 N 2.03 4.56 0.04 3.68 1.43 -1.26 -0.70 118.68 128.46 1itb s LEU 310 Ca 0.12 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1itb s LEU 310 Cb -0.16 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1itb s LEU 310 CO 0.11 -0.05 -0.04 0.27 0.23 0.00 0.00 176.35 176.87 1itb s ILE 311 N -0.78 0.27 0.59 -0.59 -4.36 0.30 -4.50 121.20 112.12 1itb s ILE 311 Ca 0.45 -1.22 -0.17 0.00 -0.26 0.00 0.00 60.65 59.45 1itb s ILE 311 Cb -0.28 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 1itb s ILE 311 CO 0.35 -0.61 1.07 -0.31 0.24 0.00 0.00 174.94 175.68 1itb s TYR 312 N -2.15 2.87 0.67 1.37 1.51 -1.26 -1.48 117.35 118.88 1itb s TYR 312 Ca -0.07 1.53 -0.16 0.00 -1.01 0.00 0.00 57.07 57.35 1itb s TYR 312 Cb -0.05 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1itb s TYR 312 CO -0.03 -1.25 1.20 -1.25 -1.11 0.00 0.00 175.55 173.11 1itb s PRO 313 N -3.86 2.54 -0.05 -1.71 0.04 -1.26 -4.75 135.00 125.95 1itb s PRO 313 Ca 0.66 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1itb s PRO 313 Cb -0.18 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1itb s PRO 313 CO 0.34 -1.53 1.04 0.08 0.04 0.00 0.00 177.00 176.97 1itb s VAL 314 N -1.85 4.68 -2.00 -0.36 1.01 -1.26 -5.07 120.40 115.54 1itb s VAL 314 Ca 0.75 1.94 0.09 0.00 0.00 0.00 0.00 61.98 64.76 1itb s VAL 314 Cb -0.29 -4.25 0.25 0.00 0.00 0.00 0.00 36.38 32.09 1itb s VAL 314 CO 0.40 0.06 0.97 0.41 0.00 0.00 0.00 175.10 176.94