#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it6 s ASN 8 N 0.00 6.27 0.15 1.96 2.47 -1.26 -4.93 114.94 119.60 1it6 s ASN 8 Ca 0.00 -2.25 -0.20 0.00 0.42 0.00 0.00 52.86 50.83 1it6 s ASN 8 Cb 0.00 -2.15 0.05 0.00 -1.45 0.00 0.00 41.25 37.70 1it6 s ASN 8 CO 0.00 -0.68 1.65 0.40 -3.72 0.00 0.00 177.10 174.75 1it6 h ILE 9 N 5.44 0.50 -0.95 -5.21 1.08 -1.99 -1.80 117.51 114.57 1it6 h ILE 9 Ca -0.10 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.52 1it6 h ILE 9 Cb 1.06 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 35.22 1it6 h ILE 9 CO 0.87 0.00 0.60 0.44 -0.69 0.00 0.00 178.15 179.38 1it6 h ASP 10 N -0.14 0.73 0.07 1.72 3.45 -1.97 0.25 116.42 120.53 1it6 h ASP 10 Ca 0.16 0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.51 1it6 h ASP 10 Cb 0.38 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1it6 h ASP 10 CO -0.38 0.34 -0.59 -1.28 -1.57 0.00 0.00 179.24 175.76 1it6 h SER 11 N 0.76 0.59 -0.40 6.45 0.87 -1.78 0.28 113.55 120.32 1it6 h SER 11 Ca 0.50 -0.33 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 1it6 h SER 11 Cb 0.76 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1it6 h SER 11 CO -0.26 1.05 -0.24 0.40 -0.53 0.00 0.00 176.83 177.24 1it6 h ILE 12 N 0.40 1.28 -0.29 2.23 2.04 -0.16 -1.65 117.51 121.36 1it6 h ILE 12 Ca -0.00 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1it6 h ILE 12 Cb 1.14 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1it6 h ILE 12 CO 0.11 0.47 -0.04 0.40 0.00 0.00 0.00 178.15 179.08 1it6 h ILE 13 N 0.69 1.27 -0.81 -0.67 2.04 -0.46 -1.56 117.51 118.01 1it6 h ILE 13 Ca 0.08 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1it6 h ILE 13 Cb 0.81 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1it6 h ILE 13 CO 0.07 0.33 0.39 0.06 0.00 0.00 0.00 178.15 179.00 1it6 h GLN 14 N 0.30 1.17 -0.56 2.37 3.07 -0.90 0.39 115.11 120.95 1it6 h GLN 14 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 58.65 58.58 1it6 h GLN 14 Cb 0.50 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 1it6 h GLN 14 CO 0.02 0.90 0.11 0.00 0.09 0.00 0.00 178.83 179.95 1it6 h ARG 15 N 1.15 0.88 -0.27 0.06 3.08 -1.13 0.12 114.38 118.27 1it6 h ARG 15 Ca 0.28 -0.20 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 1it6 h ARG 15 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1it6 h ARG 15 CO -0.03 0.81 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.10 1it6 h LEU 16 N 0.84 0.83 -0.23 3.04 3.38 -0.68 -3.17 115.31 119.32 1it6 h LEU 16 Ca 0.18 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1it6 h LEU 16 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1it6 h LEU 16 CO 0.00 1.19 -0.17 -0.07 0.09 0.00 0.00 178.44 179.48 1it6 h LEU 17 N 0.59 0.00 -1.57 1.67 3.38 -0.60 -3.30 115.31 115.47 1it6 h LEU 17 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1it6 h LEU 17 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1it6 h LEU 17 CO 0.11 0.17 0.45 -0.33 0.09 0.00 0.00 178.44 178.92 1it6 h GLU 18 N 0.00 0.00 -0.53 1.13 5.08 -0.95 -0.82 114.58 118.49 1it6 h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1it6 h GLU 18 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1it6 h GLU 18 CO 0.02 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.36 1it6 n VAL 19 N -2.76 0.90 -1.95 3.13 0.24 -1.25 -4.88 118.33 111.76 1it6 n VAL 19 Ca -0.02 -0.69 -0.40 0.00 -2.04 0.00 0.00 64.34 61.20 1it6 n VAL 19 Cb 0.49 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1it6 n VAL 19 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1it6 s ARG 20 N -1.55 3.95 0.00 7.34 0.52 -0.31 -1.90 118.95 126.99 1it6 s ARG 20 Ca 0.32 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 1it6 s ARG 20 Cb 0.19 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1it6 s ARG 20 CO 0.19 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1it6 n GLY 21 N 0.62 2.42 3.76 -3.53 0.00 -1.26 -4.97 105.19 102.24 1it6 n GLY 21 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1it6 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1it6 s SER 22 N -0.61 5.77 -0.08 1.61 0.15 -0.80 -4.89 113.70 114.86 1it6 s SER 22 Ca 0.00 2.60 -0.36 0.00 0.70 0.00 0.00 55.95 58.89 1it6 s SER 22 Cb 0.00 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.55 1it6 s SER 22 CO 0.00 -1.21 1.76 2.29 1.20 0.00 0.00 173.24 177.27 1it6 n LYS 23 N -0.62 1.84 -1.60 5.44 0.00 -1.26 -4.84 118.16 117.13 1it6 n LYS 23 Ca 0.08 0.67 -0.55 0.00 -0.00 0.00 0.00 58.31 58.51 1it6 n LYS 23 Cb 0.46 -2.45 -0.07 0.00 -0.00 0.00 0.00 35.03 32.97 1it6 n LYS 23 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1it6 n PRO 24 N 5.48 0.87 0.00 -1.58 -0.02 -1.26 -3.02 135.00 135.46 1it6 n PRO 24 Ca 0.22 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1it6 n PRO 24 Cb 0.25 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1it6 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it6 n GLY 25 N 2.66 1.66 3.71 -1.23 0.00 -1.26 -5.10 105.19 105.63 1it6 n GLY 25 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1it6 n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1it6 s LYS 26 N -0.04 4.34 0.54 1.61 2.20 -1.17 -5.01 119.74 122.22 1it6 s LYS 26 Ca 0.00 1.97 -0.06 0.00 -0.36 0.00 0.00 55.97 57.53 1it6 s LYS 26 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1it6 s LYS 26 CO 0.00 -0.43 0.85 -0.80 -0.36 0.00 0.00 175.35 174.61 1it6 s ASN 27 N 1.28 5.92 -0.21 1.43 0.01 -1.26 -5.08 114.94 117.03 1it6 s ASN 27 Ca 0.63 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 53.61 1it6 s ASN 27 Cb -0.34 -1.97 0.05 0.00 0.41 0.00 0.00 41.25 39.40 1it6 s ASN 27 CO 0.29 -0.84 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.30 1it6 s VAL 28 N -2.88 1.37 -0.53 1.60 1.01 -1.26 -5.09 120.40 114.62 1it6 s VAL 28 Ca 0.51 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1it6 s VAL 28 Cb -0.10 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1it6 s VAL 28 CO 0.45 0.01 0.56 -1.58 0.00 0.00 0.00 175.10 174.54 1it6 s GLN 29 N 1.49 3.03 0.37 2.72 2.00 -1.26 -4.92 119.66 123.09 1it6 s GLN 29 Ca -0.03 -1.34 -0.01 0.00 -2.00 0.00 0.00 55.36 51.99 1it6 s GLN 29 Cb -0.17 -4.21 -0.03 0.00 0.80 0.00 0.00 33.01 29.40 1it6 s GLN 29 CO -0.07 -1.29 0.60 -0.51 -0.50 0.00 0.00 175.29 173.51 1it6 s LEU 30 N 2.14 3.93 0.59 3.68 1.43 -1.26 -5.07 118.68 124.12 1it6 s LEU 30 Ca 0.08 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 1it6 s LEU 30 Cb -0.25 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1it6 s LEU 30 CO 0.07 -0.36 1.07 -1.10 0.23 0.00 0.00 176.35 176.26 1it6 s GLN 31 N -4.40 3.30 0.16 1.70 -1.52 -1.26 -4.92 119.66 112.72 1it6 s GLN 31 Ca 0.41 1.27 -0.16 0.00 -1.95 0.00 0.00 55.36 54.93 1it6 s GLN 31 Cb -0.10 -2.03 0.05 0.00 -0.22 0.00 0.00 33.01 30.72 1it6 s GLN 31 CO 0.38 -0.83 1.79 1.49 -0.25 0.00 0.00 175.29 177.86 1it6 h GLU 32 N 0.54 0.42 0.00 2.91 4.81 -2.00 -1.28 114.58 119.98 1it6 h GLU 32 Ca -0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1it6 h GLU 32 Cb 1.23 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1it6 h GLU 32 CO 0.57 0.28 -0.10 -2.95 -0.73 0.00 0.00 179.01 176.08 1it6 h ASN 33 N 0.43 0.00 0.11 1.04 -1.07 -1.98 -0.74 115.58 113.37 1it6 h ASN 33 Ca 0.17 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.31 1it6 h ASN 33 Cb 0.05 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.31 1it6 h ASN 33 CO -0.10 0.10 -0.87 -0.33 0.07 0.00 0.00 177.43 176.29 1it6 h GLU 34 N 0.00 0.58 -0.07 4.14 5.08 -1.62 -0.62 114.58 122.07 1it6 h GLU 34 Ca -0.00 -0.55 -0.07 0.00 -1.00 0.00 0.00 59.36 57.75 1it6 h GLU 34 Cb 0.25 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1it6 h GLU 34 CO 0.01 1.17 -0.22 0.82 -1.00 0.00 0.00 179.01 179.79 1it6 h ILE 35 N 0.37 1.43 -0.93 3.13 2.04 -0.88 -2.03 117.51 120.63 1it6 h ILE 35 Ca -0.07 -1.61 0.08 0.00 1.00 0.00 0.00 64.86 64.26 1it6 h ILE 35 Cb 1.50 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 39.81 1it6 h ILE 35 CO 0.16 0.45 0.60 -0.09 0.00 0.00 0.00 178.15 179.28 1it6 h ARG 36 N -0.24 1.00 -0.58 2.37 2.43 -1.20 -0.43 114.38 117.72 1it6 h ARG 36 Ca -0.01 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1it6 h ARG 36 Cb 0.85 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1it6 h ARG 36 CO 0.05 0.66 0.29 0.78 -1.51 0.00 0.00 179.97 180.24 1it6 h GLY 37 N 1.03 0.89 0.94 2.80 0.00 -1.00 -1.40 103.07 106.33 1it6 h GLY 37 Ca 0.41 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1it6 h GLY 37 CO -0.17 0.41 0.34 1.41 0.00 0.00 0.00 176.54 178.53 1it6 h LEU 38 N 0.79 0.57 -0.16 3.11 3.38 -0.37 -0.96 115.31 121.68 1it6 h LEU 38 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1it6 h LEU 38 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1it6 h LEU 38 CO -0.03 0.41 0.09 0.00 0.09 0.00 0.00 178.44 179.00 1it6 h LEU 40 N 0.17 0.82 -0.09 0.00 3.38 -1.04 -0.57 115.31 117.98 1it6 h LEU 40 Ca 0.06 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 1it6 h LEU 40 Cb 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1it6 h LEU 40 CO -0.01 1.04 -0.49 0.50 0.09 0.00 0.00 178.44 179.57 1it6 h LYS 41 N 0.68 0.49 -0.28 1.13 3.11 -1.16 -2.92 116.57 117.63 1it6 h LYS 41 Ca 0.08 -0.41 -0.07 0.00 -2.81 0.00 0.00 60.65 57.44 1it6 h LYS 41 Cb 0.80 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.10 1it6 h LYS 41 CO 0.07 1.04 -0.14 0.66 -2.81 0.00 0.00 179.45 178.27 1it6 h SER 42 N 0.06 0.46 -0.70 4.20 4.64 -1.29 -2.82 113.55 118.11 1it6 h SER 42 Ca -0.04 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1it6 h SER 42 Cb 1.14 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 1it6 h SER 42 CO 0.10 0.62 0.41 -0.09 -0.87 0.00 0.00 176.83 177.01 1it6 h ARG 43 N 0.44 0.76 -0.01 4.77 2.43 -1.03 -0.18 114.38 121.56 1it6 h ARG 43 Ca 0.08 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1it6 h ARG 43 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1it6 h ARG 43 CO 0.03 0.50 -0.53 1.05 -1.51 0.00 0.00 179.97 179.51 1it6 h GLU 44 N 0.78 0.02 -0.24 0.20 4.11 -1.31 -2.70 114.58 115.44 1it6 h GLU 44 Ca 0.30 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.65 1it6 h GLU 44 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1it6 h GLU 44 CO -0.15 0.54 -0.12 0.82 0.07 0.00 0.00 179.01 180.17 1it6 h ILE 45 N 0.01 1.30 -0.75 -1.06 2.04 -1.11 -2.45 117.51 115.49 1it6 h ILE 45 Ca -0.00 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.72 1it6 h ILE 45 Cb 0.93 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 1it6 h ILE 45 CO 0.07 0.37 0.44 -0.26 0.00 0.00 0.00 178.15 178.77 1it6 h PHE 46 N 0.21 0.81 0.00 1.37 0.04 -0.94 -1.76 116.94 116.67 1it6 h PHE 46 Ca 0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1it6 h PHE 46 Cb 0.62 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1it6 h PHE 46 CO 0.06 0.39 -0.08 -0.07 -0.60 0.00 0.00 178.31 178.02 1it6 h LEU 47 N 0.80 0.00 0.00 1.54 3.38 -1.41 -2.98 115.31 116.64 1it6 h LEU 47 Ca 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1it6 h LEU 47 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1it6 h LEU 47 CO -0.18 0.08 -0.57 0.77 0.09 0.00 0.00 178.44 178.63 1it6 h SER 48 N 0.00 0.00 -2.94 -0.43 4.64 -0.84 -3.45 113.55 110.52 1it6 h SER 48 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1it6 h SER 48 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1it6 h SER 48 CO 0.01 0.13 -0.31 -1.10 -0.87 0.00 0.00 176.83 174.69 1it6 s GLN 49 N -3.20 3.55 0.72 4.77 -0.21 -0.88 -5.07 119.66 119.34 1it6 s GLN 49 Ca 0.03 -0.26 -0.16 0.00 0.02 0.00 0.00 55.36 54.99 1it6 s GLN 49 Cb 0.07 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.29 1it6 s GLN 49 CO 0.74 0.39 1.17 -2.30 -2.12 0.00 0.00 175.29 173.16 1it6 n PRO 50 N -0.56 0.64 0.17 2.91 -0.02 -1.26 -4.91 135.00 131.97 1it6 n PRO 50 Ca -0.04 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1it6 n PRO 50 Cb 0.53 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.99 1it6 n PRO 50 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1it6 h ILE 51 N -0.15 0.00 -3.49 4.25 2.10 -1.92 -3.37 117.51 114.93 1it6 h ILE 51 Ca -0.48 -0.61 -0.64 0.00 1.08 0.00 0.00 64.86 64.21 1it6 h ILE 51 Cb 1.33 1.56 -0.40 0.00 -1.09 0.00 0.00 36.82 38.22 1it6 h ILE 51 CO 0.49 0.00 -0.71 -0.22 -1.08 0.00 0.00 178.15 176.63 1it6 s LEU 52 N -5.27 4.07 0.34 2.19 2.96 -1.26 -1.20 118.68 120.52 1it6 s LEU 52 Ca 0.07 -2.23 -0.28 0.00 -0.22 0.00 0.00 54.13 51.48 1it6 s LEU 52 Cb 0.09 -1.44 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1it6 s LEU 52 CO 0.58 -0.36 1.19 -0.76 -1.32 0.00 0.00 176.35 175.68 1it6 s LEU 53 N 0.81 4.37 -0.32 -0.68 1.43 0.03 -4.90 118.68 119.42 1it6 s LEU 53 Ca 0.12 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 1it6 s LEU 53 Cb -0.20 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.32 1it6 s LEU 53 CO -0.09 -0.47 0.02 -1.61 0.23 0.00 0.00 176.35 174.42 1it6 s GLU 54 N -1.89 1.64 0.41 1.70 2.02 -1.26 0.06 118.70 121.38 1it6 s GLU 54 Ca 0.51 -1.76 0.08 0.00 0.02 0.00 0.00 54.97 53.81 1it6 s GLU 54 Cb -0.34 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1it6 s GLU 54 CO 0.44 -0.86 0.34 -0.51 0.02 0.00 0.00 175.26 174.68 1it6 s LEU 55 N 0.95 3.36 0.08 1.80 1.43 -0.03 -4.97 118.68 121.29 1it6 s LEU 55 Ca 0.07 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 1it6 s LEU 55 Cb -0.19 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1it6 s LEU 55 CO -0.07 -0.62 -0.17 -1.61 0.23 0.00 0.00 176.35 174.11 1it6 s GLU 56 N -4.08 0.99 0.57 1.70 2.02 -1.26 -0.71 118.70 117.91 1it6 s GLU 56 Ca 0.47 -1.01 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 1it6 s GLU 56 Cb -0.02 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.12 1it6 s GLU 56 CO 0.27 0.26 0.86 0.00 0.02 0.00 0.00 175.26 176.66 1it6 s ALA 57 N -1.14 3.39 0.59 5.21 0.00 -1.26 -4.60 121.76 123.94 1it6 s ALA 57 Ca 0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 1it6 s ALA 57 Cb -0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1it6 s ALA 57 CO 0.03 -0.73 1.03 -1.25 0.00 0.00 0.00 175.76 174.83 1it6 s PRO 58 N -4.91 3.52 -0.08 0.00 0.04 -1.26 -4.71 135.00 127.60 1it6 s PRO 58 Ca 0.53 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1it6 s PRO 58 Cb -0.10 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.48 1it6 s PRO 58 CO 0.44 -0.63 0.94 -0.48 0.04 0.00 0.00 177.00 177.30 1it6 s LEU 59 N -4.60 -0.37 -0.10 -3.56 2.34 -0.57 -4.53 118.68 107.29 1it6 s LEU 59 Ca 0.60 0.20 -0.02 0.00 0.06 0.00 0.00 54.13 54.97 1it6 s LEU 59 Cb -0.13 1.96 -0.03 0.00 -0.56 0.00 0.00 46.19 47.42 1it6 s LEU 59 CO 0.40 -0.49 -0.00 -0.54 -1.06 0.00 0.00 176.35 174.66 1it6 s LYS 60 N -2.18 3.08 -0.12 1.48 1.02 0.20 -0.92 119.74 122.30 1it6 s LYS 60 Ca 0.02 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1it6 s LYS 60 Cb -0.01 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1it6 s LYS 60 CO -0.04 0.64 -0.17 0.42 -0.92 0.00 0.00 175.35 175.29 1it6 s ILE 61 N -0.71 2.71 0.10 2.17 1.01 0.11 -1.14 121.20 125.45 1it6 s ILE 61 Ca 0.11 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.08 1it6 s ILE 61 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1it6 s ILE 61 CO 0.02 0.54 -0.24 0.00 0.00 0.00 0.00 174.94 175.26 1it6 n GLY 63 N 1.10 1.39 3.72 0.00 0.00 -1.26 -1.31 105.19 108.83 1it6 n GLY 63 Ca -0.17 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1it6 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1it6 n ASP 64 N 0.00 3.26 -0.05 1.61 9.92 -1.26 -4.28 116.55 125.75 1it6 n ASP 64 Ca 0.00 1.19 -0.07 0.00 -0.53 0.00 0.00 54.79 55.38 1it6 n ASP 64 Cb 0.00 -1.53 -0.05 0.00 -0.64 0.00 0.00 41.12 38.90 1it6 n ASP 64 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1it6 n ILE 65 N 1.00 0.61 -3.81 0.53 2.08 -0.82 -1.29 119.36 117.66 1it6 n ILE 65 Ca 0.06 -0.23 -0.32 0.00 0.56 0.00 0.00 62.75 62.82 1it6 n ILE 65 Cb 0.36 -0.87 0.02 0.00 -0.75 0.00 0.00 39.64 38.40 1it6 n ILE 65 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1it6 n HIS 66 N -2.81 -1.77 -1.56 1.39 8.25 -0.37 -2.56 115.22 115.79 1it6 n HIS 66 Ca -0.19 0.49 -0.19 0.00 -0.26 0.00 0.00 57.72 57.57 1it6 n HIS 66 Cb 0.70 -3.45 -0.08 0.00 1.12 0.00 0.00 29.99 28.28 1it6 n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1it6 n GLY 67 N -1.82 1.85 2.89 -1.41 0.00 0.44 -1.25 105.19 105.88 1it6 n GLY 67 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1it6 n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1it6 n GLN 68 N -2.20 4.01 -0.28 1.61 6.02 -1.06 -1.34 117.38 124.13 1it6 n GLN 68 Ca -0.19 -3.90 0.03 0.00 -0.01 0.00 0.00 57.00 52.93 1it6 n GLN 68 Cb 0.66 -2.76 0.12 0.00 1.02 0.00 0.00 30.24 29.27 1it6 n GLN 68 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1it6 h TYR 69 N 5.54 -0.35 0.00 1.08 3.20 -1.89 0.48 116.97 125.03 1it6 h TYR 69 Ca 0.34 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 1it6 h TYR 69 Cb 0.60 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1it6 h TYR 69 CO 1.19 -0.34 -0.13 1.88 -1.64 0.00 0.00 178.16 179.12 1it6 h TYR 70 N 0.01 0.00 0.00 -3.82 -1.99 -1.95 -1.03 116.97 108.19 1it6 h TYR 70 Ca 0.40 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.98 1it6 h TYR 70 Cb 0.64 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 1it6 h TYR 70 CO -0.60 0.13 -0.72 -0.44 -0.00 0.00 0.00 178.16 176.54 1it6 h ASP 71 N 0.00 0.00 -0.39 3.88 3.32 -1.34 -2.16 116.42 119.73 1it6 h ASP 71 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1it6 h ASP 71 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1it6 h ASP 71 CO 0.02 0.72 -0.21 0.25 -1.72 0.00 0.00 179.24 178.29 1it6 h LEU 72 N 0.00 0.86 -0.91 1.55 5.85 -0.51 -1.35 115.31 120.81 1it6 h LEU 72 Ca -0.01 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1it6 h LEU 72 Cb 1.50 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1it6 h LEU 72 CO 0.09 1.09 0.44 -0.07 -0.34 0.00 0.00 178.44 179.65 1it6 h LEU 73 N 0.63 1.10 -1.36 2.25 3.38 -1.13 -1.39 115.31 118.79 1it6 h LEU 73 Ca 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1it6 h LEU 73 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1it6 h LEU 73 CO 0.06 0.91 0.03 0.03 0.09 0.00 0.00 178.44 179.56 1it6 h ARG 74 N 1.22 0.46 -0.39 1.13 3.08 -0.98 -0.42 114.38 118.48 1it6 h ARG 74 Ca 0.30 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1it6 h ARG 74 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1it6 h ARG 74 CO -0.04 0.46 0.20 -0.07 -1.07 0.00 0.00 179.97 179.45 1it6 h LEU 75 N 0.45 0.50 -0.71 3.04 3.38 -0.14 -0.07 115.31 121.76 1it6 h LEU 75 Ca 0.10 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1it6 h LEU 75 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1it6 h LEU 75 CO 0.00 0.47 -0.48 -0.26 0.09 0.00 0.00 178.44 178.26 1it6 h PHE 76 N 0.50 0.48 -0.78 1.13 0.04 -1.09 0.27 116.94 117.49 1it6 h PHE 76 Ca 0.14 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1it6 h PHE 76 Cb 0.10 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1it6 h PHE 76 CO -0.02 0.81 0.50 1.49 -0.60 0.00 0.00 178.31 180.48 1it6 h GLU 77 N 0.32 1.04 0.01 1.51 4.81 -0.71 0.55 114.58 122.11 1it6 h GLU 77 Ca 0.02 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1it6 h GLU 77 Cb 0.97 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1it6 h GLU 77 CO 0.08 0.71 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.15 1it6 h TYR 78 N 1.06 -0.01 -0.00 0.92 5.03 -0.79 -3.37 116.97 119.81 1it6 h TYR 78 Ca 0.28 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.59 1it6 h TYR 78 Cb -0.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1it6 h TYR 78 CO -0.01 0.78 -0.58 0.41 -1.32 0.00 0.00 178.16 177.43 1it6 n GLY 79 N 1.10 -1.16 0.00 1.82 0.00 0.92 -5.05 105.19 102.83 1it6 n GLY 79 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1it6 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it6 n GLY 80 N 1.49 2.17 3.78 -0.02 0.00 0.19 -4.68 105.19 108.12 1it6 n GLY 80 Ca 0.06 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1it6 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1it6 s PHE 81 N -0.42 3.33 0.48 1.61 0.40 -1.14 -4.50 117.98 117.74 1it6 s PHE 81 Ca 0.00 1.66 -0.24 0.00 -0.60 0.00 0.00 56.93 57.75 1it6 s PHE 81 Cb 0.00 -3.15 -0.08 0.00 0.51 0.00 0.00 43.02 40.31 1it6 s PHE 81 CO 0.00 -0.58 1.31 -2.30 0.70 0.00 0.00 175.22 174.35 1it6 n PRO 82 N 0.15 1.85 -0.23 0.24 -0.02 -1.26 -0.93 135.00 134.80 1it6 n PRO 82 Ca 0.04 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 1it6 n PRO 82 Cb 0.49 -2.49 0.17 0.00 -0.02 0.00 0.00 33.50 31.65 1it6 n PRO 82 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1it6 n PRO 83 N -0.42 2.05 -0.15 0.52 -0.04 -1.26 -4.95 135.00 130.74 1it6 n PRO 83 Ca 0.08 -1.39 0.28 0.00 -0.04 0.00 0.00 63.50 62.43 1it6 n PRO 83 Cb 0.42 -1.39 0.72 0.00 -0.04 0.00 0.00 33.50 33.22 1it6 n PRO 83 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1it6 h GLU 84 N 2.16 0.00 -3.71 0.54 5.08 -1.34 -3.40 114.58 113.91 1it6 h GLU 84 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1it6 h GLU 84 Cb 0.62 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.65 1it6 h GLU 84 CO 0.04 0.00 -0.61 -1.12 -1.00 0.00 0.00 179.01 176.32 1it6 s SER 85 N -5.65 0.09 0.23 1.42 0.01 -1.26 -5.01 113.70 103.52 1it6 s SER 85 Ca -0.05 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 56.84 1it6 s SER 85 Cb 0.21 0.15 -0.08 0.00 0.21 0.00 0.00 66.02 66.52 1it6 s SER 85 CO 0.76 -0.26 0.61 0.20 0.41 0.00 0.00 173.24 174.95 1it6 s ASN 86 N -1.09 6.76 0.10 2.44 0.02 -1.26 -4.53 114.94 117.37 1it6 s ASN 86 Ca -0.12 1.10 0.06 0.00 -1.02 0.00 0.00 52.86 52.88 1it6 s ASN 86 Cb -0.07 -2.30 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 1it6 s ASN 86 CO 0.00 -0.05 -0.16 -0.31 0.02 0.00 0.00 177.10 176.60 1it6 s TYR 87 N -1.74 1.44 -0.16 2.20 2.02 -0.99 -0.63 117.35 119.51 1it6 s TYR 87 Ca 0.46 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.65 1it6 s TYR 87 Cb -0.12 -0.78 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 1it6 s TYR 87 CO 0.20 0.13 0.06 -1.17 -1.57 0.00 0.00 175.55 173.20 1it6 s LEU 88 N -2.03 0.66 -0.12 -1.29 2.96 -0.29 -1.13 118.68 117.44 1it6 s LEU 88 Ca 0.04 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1it6 s LEU 88 Cb -0.08 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.18 1it6 s LEU 88 CO 0.03 -0.31 0.20 -0.36 -1.32 0.00 0.00 176.35 174.60 1it6 s PHE 89 N 2.02 3.57 -1.96 5.38 0.40 0.33 -1.21 117.98 126.51 1it6 s PHE 89 Ca 0.02 0.58 0.11 0.00 -0.60 0.00 0.00 56.93 57.04 1it6 s PHE 89 Cb -0.16 -2.08 0.32 0.00 0.51 0.00 0.00 43.02 41.62 1it6 s PHE 89 CO -0.08 0.59 1.26 1.28 0.70 0.00 0.00 175.22 178.98 1it6 n LEU 90 N 2.40 1.99 0.00 -0.37 4.77 -0.43 -0.95 117.00 124.42 1it6 n LEU 90 Ca -0.17 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1it6 n LEU 90 Cb 0.54 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1it6 n LEU 90 CO 0.34 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1it6 n GLY 91 N 1.06 1.15 3.03 -0.72 0.00 -1.23 -4.22 105.19 104.27 1it6 n GLY 91 Ca 0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 1it6 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1it6 n ASP 92 N 0.00 -7.42 0.02 1.61 9.92 -1.26 -4.08 116.55 115.35 1it6 n ASP 92 Ca 0.00 -0.17 0.02 0.00 -0.53 0.00 0.00 54.79 54.11 1it6 n ASP 92 Cb 0.00 -5.15 -0.09 0.00 -0.64 0.00 0.00 41.12 35.24 1it6 n ASP 92 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1it6 n TYR 93 N -1.98 0.75 -4.27 1.24 4.01 -1.26 -1.24 117.16 114.41 1it6 n TYR 93 Ca -0.01 0.24 -0.28 0.00 -0.16 0.00 0.00 57.90 57.69 1it6 n TYR 93 Cb 0.52 -0.99 -0.05 0.00 -0.31 0.00 0.00 39.34 38.51 1it6 n TYR 93 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1it6 s VAL 94 N -3.01 1.65 0.11 -0.72 -7.23 -1.26 -0.42 120.40 109.53 1it6 s VAL 94 Ca -0.04 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1it6 s VAL 94 Cb 0.09 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1it6 s VAL 94 CO 0.82 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 176.08 1it6 n ASP 95 N -1.44 -1.72 0.00 4.85 8.00 -1.26 -4.53 116.55 120.45 1it6 n ASP 95 Ca -0.08 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1it6 n ASP 95 Cb 0.65 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1it6 n ASP 95 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1it6 n ARG 96 N -2.70 0.00 -1.42 -1.24 5.12 0.07 -3.94 116.66 112.56 1it6 n ARG 96 Ca -0.01 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 1it6 n ARG 96 Cb 0.14 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 31.64 1it6 n ARG 96 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1it6 s GLY 97 N 0.00 1.63 0.02 -0.13 0.00 -0.38 -4.90 107.32 103.57 1it6 s GLY 97 Ca 0.00 -0.88 0.23 0.00 0.00 0.00 0.00 44.72 44.07 1it6 s GLY 97 CO 0.00 -0.12 0.98 0.28 0.00 0.00 0.00 173.10 174.24 1it6 n LYS 98 N -4.23 0.22 -2.91 2.90 4.01 -1.23 -4.53 118.16 112.38 1it6 n LYS 98 Ca 0.12 -0.02 -0.25 0.00 -0.51 0.00 0.00 58.31 57.65 1it6 n LYS 98 Cb 0.59 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 1it6 n LYS 98 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1it6 n GLN 99 N -1.82 2.81 -0.25 1.97 6.02 -0.45 -4.87 117.38 120.79 1it6 n GLN 99 Ca 0.02 -4.51 -0.07 0.00 -0.01 0.00 0.00 57.00 52.44 1it6 n GLN 99 Cb 0.41 -2.12 0.04 0.00 1.02 0.00 0.00 30.24 29.60 1it6 n GLN 99 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1it6 h SER 100 N 2.93 0.93 -0.49 1.08 0.02 -1.80 -2.81 113.55 113.42 1it6 h SER 100 Ca 0.14 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1it6 h SER 100 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1it6 h SER 100 CO 0.76 0.84 0.30 -0.07 -1.14 0.00 0.00 176.83 177.52 1it6 h LEU 101 N 0.97 0.58 -0.60 5.07 3.38 -1.93 -0.69 115.31 122.09 1it6 h LEU 101 Ca 0.23 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1it6 h LEU 101 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1it6 h LEU 101 CO -0.02 0.46 0.16 -0.33 0.09 0.00 0.00 178.44 178.79 1it6 h GLU 102 N 0.65 0.96 0.90 1.13 3.07 -1.90 -1.20 114.58 118.19 1it6 h GLU 102 Ca 0.18 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1it6 h GLU 102 Cb -0.02 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1it6 h GLU 102 CO -0.03 0.87 -0.45 1.15 -1.40 0.00 0.00 179.01 179.15 1it6 h THR 103 N 0.87 0.09 -0.72 1.13 2.02 -1.22 -1.52 112.91 113.56 1it6 h THR 103 Ca 0.19 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 1it6 h THR 103 Cb 0.34 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1it6 h THR 103 CO 0.00 0.00 0.32 -0.29 0.37 0.00 0.00 175.52 175.92 1it6 h ILE 104 N -1.23 1.23 -0.75 3.11 6.09 -1.14 -2.22 117.51 122.60 1it6 h ILE 104 Ca -0.12 -0.68 -0.04 0.00 -1.37 0.00 0.00 64.86 62.64 1it6 h ILE 104 Cb 0.95 0.34 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 1it6 h ILE 104 CO 0.19 0.28 0.29 0.00 -3.07 0.00 0.00 178.15 175.85 1it6 h LEU 106 N 1.09 1.04 -0.38 0.00 5.85 -0.85 -1.30 115.31 120.76 1it6 h LEU 106 Ca 0.25 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1it6 h LEU 106 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1it6 h LEU 106 CO -0.02 1.16 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.14 1it6 h LEU 107 N 0.91 0.69 -0.53 2.25 3.38 -1.01 -1.65 115.31 119.36 1it6 h LEU 107 Ca 0.14 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1it6 h LEU 107 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1it6 h LEU 107 CO 0.05 0.86 0.08 -0.07 0.09 0.00 0.00 178.44 179.45 1it6 h LEU 108 N 0.51 0.85 -0.55 1.67 3.38 -0.88 -0.45 115.31 119.85 1it6 h LEU 108 Ca 0.10 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1it6 h LEU 108 Cb 0.52 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1it6 h LEU 108 CO 0.03 0.90 0.35 0.00 0.09 0.00 0.00 178.44 179.80 1it6 h ALA 109 N 0.98 0.70 -0.55 1.53 0.00 -1.14 -0.52 119.26 120.26 1it6 h ALA 109 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1it6 h ALA 109 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1it6 h ALA 109 CO 0.01 0.09 -0.03 1.88 0.00 0.00 0.00 179.25 181.20 1it6 h TYR 110 N 0.70 1.05 -0.57 0.00 0.05 -1.09 -0.77 116.97 116.33 1it6 h TYR 110 Ca 0.21 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1it6 h TYR 110 Cb -0.03 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.40 1it6 h TYR 110 CO -0.05 0.95 0.35 -0.22 -1.05 0.00 0.00 178.16 178.14 1it6 h LYS 111 N 0.88 0.67 -0.50 4.88 1.63 -0.36 0.48 116.57 124.25 1it6 h LYS 111 Ca 0.16 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.83 1it6 h LYS 111 Cb 0.56 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 1it6 h LYS 111 CO 0.03 0.44 -0.01 0.82 -3.45 0.00 0.00 179.45 177.28 1it6 h ILE 112 N 0.69 1.26 -0.18 2.00 2.04 -0.77 -1.64 117.51 120.92 1it6 h ILE 112 Ca 0.23 -1.09 -0.22 0.00 1.00 0.00 0.00 64.86 64.78 1it6 h ILE 112 Cb 0.02 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1it6 h ILE 112 CO -0.10 0.38 -0.74 0.50 0.00 0.00 0.00 178.15 178.20 1it6 h LYS 113 N 0.74 0.80 -2.18 2.37 3.64 -0.77 -3.36 116.57 117.81 1it6 h LYS 113 Ca 0.14 -0.63 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 1it6 h LYS 113 Cb 0.53 0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 32.06 1it6 h LYS 113 CO 0.03 1.24 -0.76 0.66 -2.27 0.00 0.00 179.45 178.34 1it6 n TYR 114 N -3.95 2.88 0.19 1.91 4.01 0.13 -4.94 117.16 117.39 1it6 n TYR 114 Ca -0.07 -3.97 0.12 0.00 -0.16 0.00 0.00 57.90 53.82 1it6 n TYR 114 Cb 0.73 -0.49 0.63 0.00 -0.31 0.00 0.00 39.34 39.90 1it6 n TYR 114 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1it6 h PRO 115 N 3.45 0.00 -0.12 -0.72 0.13 -1.45 -1.12 132.00 132.17 1it6 h PRO 115 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1it6 h PRO 115 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1it6 h PRO 115 CO 0.74 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 1it6 n GLU 116 N -2.34 1.33 0.00 0.86 -0.58 -1.26 -4.56 120.64 114.09 1it6 n GLU 116 Ca -0.02 -1.50 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 1it6 n GLU 116 Cb 0.11 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1it6 n GLU 116 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1it6 n ASN 117 N 0.71 0.38 -3.74 1.62 4.13 -0.52 -5.03 115.26 112.81 1it6 n ASN 117 Ca 0.09 -1.15 -0.21 0.00 1.68 0.00 0.00 54.58 54.99 1it6 n ASN 117 Cb 0.36 0.00 -0.18 0.00 -1.54 0.00 0.00 39.78 38.42 1it6 n ASN 117 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1it6 s PHE 118 N -0.15 0.41 -0.01 3.10 5.36 -0.66 -2.33 117.98 123.70 1it6 s PHE 118 Ca 0.00 0.00 0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1it6 s PHE 118 Cb 0.00 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 42.03 1it6 s PHE 118 CO 0.00 -0.25 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.32 1it6 s PHE 119 N 1.91 1.18 -0.08 10.12 0.08 -0.28 -4.75 117.98 126.16 1it6 s PHE 119 Ca 0.03 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1it6 s PHE 119 Cb -0.12 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1it6 s PHE 119 CO -0.04 -0.03 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.36 1it6 s LEU 120 N -0.27 1.86 0.39 -0.37 1.43 -1.26 -0.51 118.68 119.96 1it6 s LEU 120 Ca 0.04 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1it6 s LEU 120 Cb -0.06 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1it6 s LEU 120 CO -0.00 0.10 0.51 -0.76 0.23 0.00 0.00 176.35 176.43 1it6 s LEU 121 N 0.47 3.71 -0.01 1.79 1.43 -0.12 -4.31 118.68 121.64 1it6 s LEU 121 Ca -0.16 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1it6 s LEU 121 Cb -0.17 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1it6 s LEU 121 CO 0.06 -0.64 0.49 -0.60 0.23 0.00 0.00 176.35 175.88 1it6 s ARG 122 N -4.27 4.15 0.45 1.70 3.52 -0.74 -3.55 118.95 120.20 1it6 s ARG 122 Ca 0.51 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.72 1it6 s ARG 122 Cb -0.09 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1it6 s ARG 122 CO 0.32 0.50 0.25 0.20 -0.81 0.00 0.00 175.30 175.76 1it6 s GLY 123 N -0.55 2.36 0.40 8.12 0.00 -1.26 -4.50 107.32 111.89 1it6 s GLY 123 Ca 0.26 -1.78 0.29 0.00 0.00 0.00 0.00 44.72 43.49 1it6 s GLY 123 CO 0.14 -1.90 1.85 3.45 0.00 0.00 0.00 173.10 176.64 1it6 h ASN 124 N 1.22 0.00 0.85 1.64 -1.07 -1.95 -2.35 115.58 113.92 1it6 h ASN 124 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.96 1it6 h ASN 124 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 1it6 h ASN 124 CO 0.66 0.00 -0.30 1.41 0.07 0.00 0.00 177.43 179.26 1it6 n HIS 125 N -2.60 0.22 -1.82 4.14 8.25 -1.26 -3.94 115.22 118.22 1it6 n HIS 125 Ca 0.01 0.07 -0.37 0.00 -0.26 0.00 0.00 57.72 57.17 1it6 n HIS 125 Cb 0.22 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 1it6 n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1it6 n GLU 126 N -1.71 4.03 -3.70 -0.41 4.71 -0.88 -4.17 120.64 118.50 1it6 n GLU 126 Ca 0.06 -3.10 -0.12 0.00 -0.01 0.00 0.00 57.16 53.99 1it6 n GLU 126 Cb 0.37 -2.52 -0.12 0.00 -1.01 0.00 0.00 31.44 28.15 1it6 n GLU 126 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1it6 h ALA 128 N 7.45 0.43 0.00 0.00 0.00 -1.92 -0.19 119.26 125.02 1it6 h ALA 128 Ca -0.33 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1it6 h ALA 128 Cb 1.15 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1it6 h ALA 128 CO 0.29 -0.42 -0.03 0.66 0.00 0.00 0.00 179.25 179.74 1it6 h SER 129 N -0.00 0.00 0.00 0.00 4.64 -1.96 -1.35 113.55 114.88 1it6 h SER 129 Ca 0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 1it6 h SER 129 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1it6 h SER 129 CO -0.68 0.03 -1.48 -0.38 -0.87 0.00 0.00 176.83 173.45 1it6 n ILE 130 N -3.23 1.53 0.97 0.95 2.08 -0.40 -4.13 119.36 117.12 1it6 n ILE 130 Ca -0.01 -0.09 0.09 0.00 0.56 0.00 0.00 62.75 63.31 1it6 n ILE 130 Cb 0.20 -2.02 0.50 0.00 -0.75 0.00 0.00 39.64 37.57 1it6 n ILE 130 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1it6 n ASN 131 N -4.40 0.00 0.06 4.38 0.23 -0.22 -1.43 115.26 113.88 1it6 n ASN 131 Ca -0.36 -0.12 -0.15 0.00 -0.53 0.00 0.00 54.58 53.42 1it6 n ASN 131 Cb 0.71 -0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.12 1it6 n ASN 131 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1it6 h ARG 132 N 0.00 0.49 0.01 -3.83 9.65 -1.41 -1.04 114.38 118.26 1it6 h ARG 132 Ca 0.00 -0.53 -0.15 0.00 -1.10 0.00 0.00 59.98 58.20 1it6 h ARG 132 Cb 0.14 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1it6 h ARG 132 CO 0.00 1.16 -0.81 0.82 2.80 0.00 0.00 179.97 183.95 1it6 h ILE 133 N 0.28 1.26 -0.18 1.20 2.04 -1.40 -3.42 117.51 117.30 1it6 h ILE 133 Ca -0.09 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1it6 h ILE 133 Cb 1.60 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 40.41 1it6 h ILE 133 CO 0.17 0.47 0.00 -1.22 0.00 0.00 0.00 178.15 177.58 1it6 n TYR 134 N -4.44 0.54 0.00 1.37 4.01 -0.67 -4.92 117.16 113.05 1it6 n TYR 134 Ca -0.23 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1it6 n TYR 134 Cb 0.63 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1it6 n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1it6 n GLY 135 N 0.33 3.77 0.19 2.72 0.00 -1.25 -0.75 105.19 110.20 1it6 n GLY 135 Ca 0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1it6 n GLY 135 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1it6 h PHE 136 N 0.00 0.42 -0.09 1.61 3.57 -1.88 -1.14 116.94 119.43 1it6 h PHE 136 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1it6 h PHE 136 Cb 0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1it6 h PHE 136 CO 0.00 0.21 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.27 1it6 h TYR 137 N 0.46 -0.23 -1.00 0.41 3.20 -1.44 -0.77 116.97 117.60 1it6 h TYR 137 Ca 0.21 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1it6 h TYR 137 Cb 0.12 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1it6 h TYR 137 CO -0.11 -0.14 0.65 -0.44 -1.64 0.00 0.00 178.16 176.48 1it6 h ASP 138 N -0.12 1.09 -0.33 -2.11 3.32 -1.73 -1.07 116.42 115.47 1it6 h ASP 138 Ca 0.07 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1it6 h ASP 138 Cb 0.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1it6 h ASP 138 CO -0.16 0.74 0.06 -0.08 -1.72 0.00 0.00 179.24 178.08 1it6 h GLU 139 N 1.26 0.54 -0.50 3.56 4.81 -0.71 -1.37 114.58 122.17 1it6 h GLU 139 Ca 0.40 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1it6 h GLU 139 Cb 0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1it6 h GLU 139 CO -0.13 0.62 0.18 0.00 -0.73 0.00 0.00 179.01 178.95 1it6 h LYS 141 N 0.68 0.75 -0.29 0.00 3.64 -1.11 0.46 116.57 120.70 1it6 h LYS 141 Ca 0.16 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 1it6 h LYS 141 Cb 0.24 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1it6 h LYS 141 CO -0.01 0.55 -0.52 -0.09 -2.27 0.00 0.00 179.45 177.12 1it6 h ARG 142 N 0.74 0.83 0.00 1.90 2.43 -1.13 -3.34 114.38 115.81 1it6 h ARG 142 Ca 0.20 -0.51 -0.27 0.00 -0.81 0.00 0.00 59.98 58.58 1it6 h ARG 142 Cb 0.00 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1it6 h ARG 142 CO -0.04 1.14 -1.73 0.54 -1.51 0.00 0.00 179.97 178.38 1it6 n ARG 143 N -4.01 0.64 0.00 0.20 1.74 -0.68 -4.97 116.66 109.58 1it6 n ARG 143 Ca -0.04 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1it6 n ARG 143 Cb 0.61 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1it6 n ARG 143 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1it6 n TYR 144 N -2.98 0.00 -3.67 -1.55 4.01 0.15 -5.08 117.16 108.04 1it6 n TYR 144 Ca -0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.53 1it6 n TYR 144 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.03 1it6 n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1it6 s ASN 145 N 1.00 -0.21 0.37 7.72 2.20 -0.25 -4.79 114.94 120.98 1it6 s ASN 145 Ca 0.00 -0.26 0.06 0.00 -0.94 0.00 0.00 52.86 51.73 1it6 s ASN 145 Cb 0.00 0.42 0.77 0.00 -2.00 0.00 0.00 41.25 40.43 1it6 s ASN 145 CO 0.00 -0.75 1.97 0.40 -2.94 0.00 0.00 177.10 175.78 1it6 h ILE 146 N 2.00 1.03 -0.84 0.54 1.08 -1.87 -2.33 117.51 117.11 1it6 h ILE 146 Ca -0.24 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1it6 h ILE 146 Cb 1.23 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1it6 h ILE 146 CO 0.27 0.13 0.56 0.50 -0.69 0.00 0.00 178.15 178.92 1it6 h LYS 147 N 0.72 1.07 -0.24 2.37 3.64 -1.96 -1.32 116.57 120.85 1it6 h LYS 147 Ca 0.29 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1it6 h LYS 147 Cb 0.24 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1it6 h LYS 147 CO -0.09 0.71 -0.41 1.25 -2.27 0.00 0.00 179.45 178.63 1it6 h LEU 148 N 1.10 0.59 -0.94 5.20 5.85 -1.81 -2.45 115.31 122.85 1it6 h LEU 148 Ca 0.32 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1it6 h LEU 148 Cb -0.05 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1it6 h LEU 148 CO -0.08 0.93 0.48 -0.25 -0.34 0.00 0.00 178.44 179.18 1it6 h TRP 149 N 0.46 1.21 -0.08 1.25 7.01 -1.17 -1.34 115.95 123.29 1it6 h TRP 149 Ca 0.04 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 1it6 h TRP 149 Cb 0.91 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1it6 h TRP 149 CO 0.04 0.84 -0.30 0.87 -2.79 0.00 0.00 178.44 177.10 1it6 h LYS 150 N 1.24 0.14 -0.45 2.65 1.57 -0.89 -0.82 116.57 120.00 1it6 h LYS 150 Ca 0.31 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1it6 h LYS 150 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1it6 h LYS 150 CO -0.05 0.43 -0.01 1.15 -0.57 0.00 0.00 179.45 180.40 1it6 h THR 151 N 0.12 1.26 -0.36 -0.16 2.02 -0.84 -2.22 112.91 112.73 1it6 h THR 151 Ca 0.02 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 1it6 h THR 151 Cb 0.59 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1it6 h THR 151 CO 0.04 0.37 0.17 -0.26 0.37 0.00 0.00 175.52 176.20 1it6 h PHE 152 N 0.65 0.53 -0.59 3.16 0.04 -0.74 -2.44 116.94 117.56 1it6 h PHE 152 Ca 0.13 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.95 1it6 h PHE 152 Cb 0.51 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 1it6 h PHE 152 CO 0.04 0.46 0.23 1.15 -0.60 0.00 0.00 178.31 179.59 1it6 h THR 153 N 0.44 0.80 -0.69 -1.55 2.02 -0.96 0.16 112.91 113.14 1it6 h THR 153 Ca 0.12 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1it6 h THR 153 Cb 0.14 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1it6 h THR 153 CO -0.01 0.08 0.39 -0.78 0.37 0.00 0.00 175.52 175.56 1it6 h ASP 154 N 0.42 0.85 -0.09 4.18 3.58 -1.16 -1.01 116.42 123.18 1it6 h ASP 154 Ca 0.29 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1it6 h ASP 154 Cb 0.33 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1it6 h ASP 154 CO -0.28 0.68 -0.06 0.00 -2.88 0.00 0.00 179.24 176.70 1it6 h PHE 156 N -0.17 0.71 0.00 0.00 0.04 -0.28 -1.04 116.94 116.20 1it6 h PHE 156 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1it6 h PHE 156 Cb 0.54 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1it6 h PHE 156 CO 0.08 0.35 0.00 0.09 -0.60 0.00 0.00 178.31 178.22 1it6 n ASN 157 N -4.49 0.15 -0.75 2.17 3.02 -0.42 -2.11 115.26 112.83 1it6 n ASN 157 Ca 0.12 0.55 0.08 0.00 -0.03 0.00 0.00 54.58 55.30 1it6 n ASN 157 Cb 0.31 -0.58 0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1it6 n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1it6 s LEU 159 N -1.16 4.05 0.70 0.00 1.43 -0.90 -4.46 118.68 118.34 1it6 s LEU 159 Ca 0.25 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.68 1it6 s LEU 159 Cb 0.15 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1it6 s LEU 159 CO 0.21 -0.99 1.10 -2.16 0.23 0.00 0.00 176.35 174.73 1it6 s PRO 160 N -2.59 2.65 -0.21 1.29 0.04 -1.26 -4.77 135.00 130.15 1it6 s PRO 160 Ca 0.63 1.28 0.12 0.00 0.04 0.00 0.00 61.00 63.06 1it6 s PRO 160 Cb -0.33 -1.94 -0.22 0.00 0.04 0.00 0.00 34.50 32.05 1it6 s PRO 160 CO 0.40 -1.35 0.01 -0.89 0.04 0.00 0.00 177.00 175.21 1it6 n ILE 161 N -2.82 1.45 -4.01 0.56 2.08 -0.34 -1.80 119.36 114.48 1it6 n ILE 161 Ca 0.10 -0.75 -0.10 0.00 0.56 0.00 0.00 62.75 62.55 1it6 n ILE 161 Cb 0.52 -0.85 -0.07 0.00 -0.75 0.00 0.00 39.64 38.50 1it6 n ILE 161 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1it6 s ALA 162 N -2.51 0.06 0.02 -1.39 0.00 -1.16 -4.49 121.76 112.29 1it6 s ALA 162 Ca -0.18 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1it6 s ALA 162 Cb 0.07 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 1it6 s ALA 162 CO 0.75 -0.73 0.09 0.00 0.00 0.00 0.00 175.76 175.87 1it6 s ALA 163 N -4.02 -0.14 -0.15 0.00 0.00 -0.01 -0.79 121.76 116.65 1it6 s ALA 163 Ca 0.23 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1it6 s ALA 163 Cb 0.02 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1it6 s ALA 163 CO 0.06 -0.25 -0.07 0.42 0.00 0.00 0.00 175.76 175.92 1it6 s ILE 164 N -1.95 1.15 -0.26 0.00 1.01 0.11 0.18 121.20 121.44 1it6 s ILE 164 Ca -0.11 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 1it6 s ILE 164 Cb -0.05 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1it6 s ILE 164 CO -0.02 0.22 0.36 -0.69 0.00 0.00 0.00 174.94 174.82 1it6 s VAL 165 N 1.63 5.19 -1.39 2.92 1.01 0.29 -0.85 120.40 129.20 1it6 s VAL 165 Ca 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.45 1it6 s VAL 165 Cb -0.14 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1it6 s VAL 165 CO -0.08 0.17 0.60 0.47 0.00 0.00 0.00 175.10 176.26 1it6 n ASP 166 N 5.24 -4.02 -0.33 3.32 8.00 0.11 -1.29 116.55 127.57 1it6 n ASP 166 Ca -0.09 -0.51 -0.04 0.00 0.71 0.00 0.00 54.79 54.87 1it6 n ASP 166 Cb 0.51 -3.30 -0.02 0.00 -0.02 0.00 0.00 41.12 38.29 1it6 n ASP 166 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1it6 n GLU 167 N -3.96 -1.87 0.00 -1.24 1.02 -1.26 -4.73 120.64 108.60 1it6 n GLU 167 Ca -0.00 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1it6 n GLU 167 Cb 0.54 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 1it6 n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1it6 n LYS 168 N 0.21 2.71 -4.10 3.49 4.76 -0.41 -4.64 118.16 120.17 1it6 n LYS 168 Ca -0.04 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.06 1it6 n LYS 168 Cb 0.47 -0.92 -0.14 0.00 -1.84 0.00 0.00 35.03 32.60 1it6 n LYS 168 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1it6 s ILE 169 N -1.79 3.14 -0.19 -0.18 1.01 -0.73 -0.18 121.20 122.27 1it6 s ILE 169 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1it6 s ILE 169 Cb 0.00 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 1it6 s ILE 169 CO 0.00 0.46 0.26 0.12 0.00 0.00 0.00 174.94 175.78 1it6 s PHE 170 N 1.23 3.40 -0.04 3.97 5.36 -0.38 -0.54 117.98 130.97 1it6 s PHE 170 Ca 0.03 0.47 0.06 0.00 -0.96 0.00 0.00 56.93 56.53 1it6 s PHE 170 Cb -0.14 -2.34 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 1it6 s PHE 170 CO -0.03 0.15 -0.22 0.00 -1.46 0.00 0.00 175.22 173.66 1it6 h HIS 173 N 2.00 -0.43 0.00 0.00 2.76 -1.73 -3.35 115.15 114.40 1it6 h HIS 173 Ca -0.21 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 1it6 h HIS 173 Cb 1.26 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.36 1it6 h HIS 173 CO 0.40 -0.22 0.00 0.41 -1.30 0.00 0.00 177.93 177.23 1it6 n GLY 174 N 0.54 -0.41 0.00 5.26 0.00 0.12 -1.67 105.19 109.02 1it6 n GLY 174 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1it6 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it6 n GLY 175 N 1.84 -0.63 3.81 -0.02 0.00 -0.99 -4.57 105.19 104.63 1it6 n GLY 175 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1it6 n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1it6 s LEU 176 N 0.00 2.82 0.01 0.99 1.43 -1.26 -3.90 118.68 118.77 1it6 s LEU 176 Ca 0.00 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1it6 s LEU 176 Cb 0.00 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 1it6 s LEU 176 CO 0.00 -1.73 -0.07 -0.55 0.23 0.00 0.00 176.35 174.23 1it6 s SER 177 N -3.88 0.82 0.50 2.29 0.15 -1.26 -4.58 113.70 107.74 1it6 s SER 177 Ca 0.60 -0.23 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1it6 s SER 177 Cb -0.14 -0.06 1.31 0.00 -1.71 0.00 0.00 66.02 65.42 1it6 s SER 177 CO 0.54 0.01 2.07 -0.65 1.20 0.00 0.00 173.24 176.42 1it6 h PRO 178 N 5.61 0.00 -0.01 5.44 0.11 -1.98 -2.28 132.00 138.89 1it6 h PRO 178 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1it6 h PRO 178 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1it6 h PRO 178 CO 0.48 0.12 -0.11 -0.25 -0.21 0.00 0.00 178.00 178.03 1it6 n ASP 179 N -3.99 0.71 -4.54 -2.05 8.00 -1.26 -4.77 116.55 108.65 1it6 n ASP 179 Ca -0.02 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 1it6 n ASP 179 Cb 0.21 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1it6 n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1it6 s LEU 180 N -2.36 3.40 -0.09 0.64 2.96 -0.86 -4.74 118.68 117.64 1it6 s LEU 180 Ca 0.31 -0.78 0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1it6 s LEU 180 Cb 0.20 -2.55 -0.19 0.00 0.50 0.00 0.00 46.19 44.15 1it6 s LEU 180 CO 0.45 -1.70 0.16 0.00 -1.32 0.00 0.00 176.35 173.94 1it6 n GLN 181 N 9.03 1.21 -3.84 1.98 1.13 -1.26 -4.94 117.38 120.70 1it6 n GLN 181 Ca 0.10 -0.06 -0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1it6 n GLN 181 Cb 0.49 -1.35 -0.11 0.00 0.11 0.00 0.00 30.24 29.38 1it6 n GLN 181 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1it6 s SER 182 N -4.26 -0.09 0.63 1.08 0.15 -1.26 -5.00 113.70 104.96 1it6 s SER 182 Ca -0.06 0.11 0.40 0.00 0.70 0.00 0.00 55.95 57.09 1it6 s SER 182 Cb 0.06 0.28 2.13 0.00 -1.71 0.00 0.00 66.02 66.78 1it6 s SER 182 CO 0.58 -0.18 2.28 0.24 1.20 0.00 0.00 173.24 177.36 1it6 h MET 183 N 5.26 0.00 -0.37 5.44 2.86 -2.01 -1.21 114.93 124.90 1it6 h MET 183 Ca -0.27 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1it6 h MET 183 Cb 1.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1it6 h MET 183 CO 0.41 0.01 0.15 1.49 1.06 0.00 0.00 176.91 180.02 1it6 h GLU 184 N 0.00 0.52 -0.37 1.72 4.57 -1.99 -2.31 114.58 116.71 1it6 h GLU 184 Ca -0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1it6 h GLU 184 Cb 0.10 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1it6 h GLU 184 CO 0.00 0.43 0.15 1.96 -1.18 0.00 0.00 179.01 180.37 1it6 h GLN 185 N 0.52 0.52 -0.19 1.92 4.20 -1.63 -2.08 115.11 118.37 1it6 h GLN 185 Ca 0.13 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.56 1it6 h GLN 185 Cb 0.11 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.80 1it6 h GLN 185 CO -0.01 0.44 -0.71 0.82 -0.67 0.00 0.00 178.83 178.70 1it6 h ILE 186 N 0.52 1.28 0.00 2.54 2.04 -1.56 -3.16 117.51 119.17 1it6 h ILE 186 Ca 0.13 -1.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1it6 h ILE 186 Cb 0.11 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1it6 h ILE 186 CO -0.01 0.61 -0.10 0.03 0.00 0.00 0.00 178.15 178.68 1it6 h ARG 187 N 0.56 0.00 -0.00 2.37 3.08 -1.23 -2.65 114.38 116.51 1it6 h ARG 187 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1it6 h ARG 187 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1it6 h ARG 187 CO 0.15 0.10 -0.16 0.54 -1.07 0.00 0.00 179.97 179.52 1it6 n ARG 188 N -3.40 0.18 -2.09 0.04 1.74 -0.83 -4.84 116.66 107.47 1it6 n ARG 188 Ca -0.01 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 1it6 n ARG 188 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1it6 n ARG 188 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1it6 s ILE 189 N -2.86 3.54 0.03 0.55 1.01 -1.00 -4.98 121.20 117.49 1it6 s ILE 189 Ca 0.17 0.84 -0.18 0.00 0.00 0.00 0.00 60.65 61.48 1it6 s ILE 189 Cb 0.19 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 1it6 s ILE 189 CO 0.56 -0.03 0.50 -0.04 0.00 0.00 0.00 174.94 175.93 1it6 s MET 190 N 3.13 4.11 0.09 2.79 -1.94 -1.26 -5.00 119.30 121.21 1it6 s MET 190 Ca 0.69 0.60 0.07 0.00 -1.71 0.00 0.00 55.69 55.34 1it6 s MET 190 Cb -0.33 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 1it6 s MET 190 CO 0.28 0.61 -0.11 1.03 -0.01 0.00 0.00 175.02 176.83 1it6 s ARG 191 N -0.93 2.15 0.56 2.03 0.52 -1.26 -4.03 118.95 117.98 1it6 s ARG 191 Ca 0.27 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.31 1it6 s ARG 191 Cb -0.18 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 1it6 s ARG 191 CO 0.16 0.52 1.06 -1.25 0.02 0.00 0.00 175.30 175.81 1it6 s PRO 192 N -2.04 3.46 0.01 3.54 0.04 -1.26 -5.07 135.00 133.68 1it6 s PRO 192 Ca 0.20 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1it6 s PRO 192 Cb -0.11 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1it6 s PRO 192 CO 0.12 -0.71 0.25 -0.08 0.04 0.00 0.00 177.00 176.62 1it6 s THR 193 N -2.22 0.08 0.36 1.26 -1.32 -0.78 -5.01 115.64 108.02 1it6 s THR 193 Ca 0.66 -0.64 0.07 0.00 -1.21 0.00 0.00 61.69 60.57 1it6 s THR 193 Cb -0.17 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1it6 s THR 193 CO 0.30 -0.35 0.42 -0.62 -2.21 0.00 0.00 174.62 172.16 1it6 s ASP 194 N -1.60 5.57 -0.22 8.08 2.15 -1.26 -4.51 116.67 124.87 1it6 s ASP 194 Ca -0.11 -0.40 -0.21 0.00 0.43 0.00 0.00 52.55 52.25 1it6 s ASP 194 Cb -0.04 -0.96 -0.02 0.00 -0.30 0.00 0.00 42.92 41.60 1it6 s ASP 194 CO 0.01 -0.49 0.67 -0.69 -0.17 0.00 0.00 175.17 174.50 1it6 s VAL 195 N -2.29 4.97 0.92 1.11 1.01 -1.26 -5.06 120.40 119.81 1it6 s VAL 195 Ca 0.46 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 63.57 1it6 s VAL 195 Cb -0.07 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1it6 s VAL 195 CO 0.29 0.05 1.13 -2.16 0.00 0.00 0.00 175.10 174.41 1it6 s PRO 196 N 2.26 1.03 0.00 2.72 0.04 -1.26 -4.94 135.00 134.85 1it6 s PRO 196 Ca 0.29 0.36 0.20 0.00 0.04 0.00 0.00 61.00 61.89 1it6 s PRO 196 Cb -0.16 -1.82 1.09 0.00 0.04 0.00 0.00 34.50 33.65 1it6 s PRO 196 CO 0.09 -2.29 1.71 -0.40 0.04 0.00 0.00 177.00 176.16 1it6 n ASP 197 N -3.84 0.30 -3.58 6.66 5.68 -1.26 -4.59 116.55 115.92 1it6 n ASP 197 Ca 0.06 -1.45 -0.06 0.00 -0.50 0.00 0.00 54.79 52.85 1it6 n ASP 197 Cb 0.59 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 1it6 n ASP 197 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1it6 s GLN 198 N -1.97 0.41 0.00 0.11 -2.07 -1.26 -4.76 119.66 110.13 1it6 s GLN 198 Ca 0.30 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.72 1it6 s GLN 198 Cb 0.14 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1it6 s GLN 198 CO 0.23 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.44 1it6 n GLY 199 N -0.01 0.85 0.32 2.60 0.00 -1.26 -4.62 105.19 103.07 1it6 n GLY 199 Ca -0.02 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 1it6 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1it6 h LEU 200 N 0.00 -0.94 -1.77 0.99 5.85 -1.99 -0.92 115.31 116.53 1it6 h LEU 200 Ca 0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1it6 h LEU 200 Cb 0.00 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1it6 h LEU 200 CO 0.00 -0.33 0.17 0.25 -0.34 0.00 0.00 178.44 178.19 1it6 h LEU 201 N -0.34 0.27 -0.04 2.25 5.85 -1.97 -1.37 115.31 119.95 1it6 h LEU 201 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1it6 h LEU 201 Cb 0.52 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1it6 h LEU 201 CO -0.38 0.19 -0.18 0.00 -0.34 0.00 0.00 178.44 177.72 1it6 h ASP 203 N -0.35 0.60 -0.12 0.00 3.32 -0.75 0.47 116.42 119.59 1it6 h ASP 203 Ca -0.01 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1it6 h ASP 203 Cb 0.83 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1it6 h ASP 203 CO 0.04 0.50 0.10 -0.07 -1.72 0.00 0.00 179.24 178.09 1it6 h LEU 204 N 0.66 0.00 0.00 1.55 3.38 -1.36 -0.34 115.31 119.19 1it6 h LEU 204 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1it6 h LEU 204 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1it6 h LEU 204 CO -0.03 0.00 -1.44 0.18 0.09 0.00 0.00 178.44 177.24 1it6 n LEU 205 N -4.12 0.44 -0.00 1.67 4.77 -0.88 0.13 117.00 119.01 1it6 n LEU 205 Ca -0.00 -0.24 0.01 0.00 -0.03 0.00 0.00 56.01 55.75 1it6 n LEU 205 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1it6 n LEU 205 CO 0.31 0.11 -0.54 0.79 -1.33 0.00 0.00 177.39 176.72 1it6 n TRP 206 N -1.85 0.00 -1.11 -1.77 7.02 0.10 -3.92 117.44 115.92 1it6 n TRP 206 Ca -0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1it6 n TRP 206 Cb 0.42 -0.08 0.13 0.00 -2.42 0.00 0.00 31.31 29.36 1it6 n TRP 206 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1it6 s SER 207 N -2.52 3.63 0.00 -0.99 1.04 -0.19 -4.83 113.70 109.83 1it6 s SER 207 Ca -0.01 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 58.10 1it6 s SER 207 Cb 0.02 -2.37 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 1it6 s SER 207 CO 0.11 -2.58 0.06 -1.81 0.98 0.00 0.00 173.24 170.01 1it6 s ASP 208 N -3.25 0.07 0.53 7.02 1.01 -1.05 -3.88 116.67 117.13 1it6 s ASP 208 Ca 0.63 -0.22 -0.17 0.00 0.71 0.00 0.00 52.55 53.50 1it6 s ASP 208 Cb -0.19 0.16 -0.07 0.00 1.01 0.00 0.00 42.92 43.84 1it6 s ASP 208 CO 0.57 -0.26 1.02 -2.16 0.21 0.00 0.00 175.17 174.56 1it6 s PRO 209 N -1.05 3.69 -0.19 8.23 0.04 -1.26 -1.47 135.00 142.99 1it6 s PRO 209 Ca -0.11 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1it6 s PRO 209 Cb -0.07 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1it6 s PRO 209 CO 0.00 -0.50 0.30 0.34 0.04 0.00 0.00 177.00 177.18 1it6 s ASP 210 N -2.67 0.54 0.61 6.66 -1.08 -0.55 -4.77 116.67 115.41 1it6 s ASP 210 Ca 0.63 0.31 0.32 0.00 -0.52 0.00 0.00 52.55 53.28 1it6 s ASP 210 Cb -0.13 0.80 1.79 0.00 -1.46 0.00 0.00 42.92 43.92 1it6 s ASP 210 CO 0.30 -0.28 2.13 0.11 0.52 0.00 0.00 175.17 177.95 1it6 h LYS 211 N 8.25 0.00 -0.03 4.34 1.57 -1.97 -2.47 116.57 126.26 1it6 h LYS 211 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1it6 h LYS 211 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1it6 h LYS 211 CO 0.21 0.00 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.81 1it6 n ASP 212 N -3.57 2.93 -4.84 0.86 8.00 -1.26 -4.93 116.55 113.74 1it6 n ASP 212 Ca 0.00 -1.96 -0.37 0.00 0.71 0.00 0.00 54.79 53.17 1it6 n ASP 212 Cb 0.27 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 1it6 n ASP 212 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1it6 s VAL 213 N -2.02 5.03 -0.48 2.53 0.11 -0.93 -5.03 120.40 119.61 1it6 s VAL 213 Ca 0.27 0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 59.98 1it6 s VAL 213 Cb 0.20 -3.70 0.12 0.00 -1.53 0.00 0.00 36.38 31.47 1it6 s VAL 213 CO 0.32 0.49 0.36 -0.76 -3.33 0.00 0.00 175.10 172.18 1it6 s LEU 214 N -1.32 5.74 0.00 2.54 1.43 -1.26 -4.27 118.68 121.53 1it6 s LEU 214 Ca 0.27 -1.89 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1it6 s LEU 214 Cb -0.16 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1it6 s LEU 214 CO 0.15 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1it6 n GLY 215 N 4.94 1.15 3.31 -3.19 0.00 -1.26 -4.87 105.19 105.27 1it6 n GLY 215 Ca -0.09 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1it6 n GLY 215 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1it6 s TRP 216 N 0.00 1.90 0.34 1.61 0.52 -1.26 -0.51 118.94 121.55 1it6 s TRP 216 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.68 1it6 s TRP 216 Cb 0.00 -1.04 0.01 0.00 -1.15 0.00 0.00 33.47 31.29 1it6 s TRP 216 CO 0.00 0.24 0.49 0.20 0.02 0.00 0.00 176.95 177.90 1it6 s GLY 217 N -1.95 1.41 0.41 0.98 0.00 -0.49 -4.95 107.32 102.73 1it6 s GLY 217 Ca 0.08 -1.46 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 1it6 s GLY 217 CO 0.05 -0.95 1.02 -0.54 0.00 0.00 0.00 173.10 172.68 1it6 s GLU 218 N -3.02 4.14 -0.16 2.90 2.02 -1.26 -1.60 118.70 121.72 1it6 s GLU 218 Ca 0.29 1.41 -0.07 0.00 0.02 0.00 0.00 54.97 56.63 1it6 s GLU 218 Cb -0.01 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1it6 s GLU 218 CO 0.20 -0.15 0.08 1.21 0.02 0.00 0.00 175.26 176.62 1it6 s ASN 219 N -1.73 5.78 0.64 -0.19 3.84 -1.23 -4.37 114.94 117.68 1it6 s ASN 219 Ca 0.60 0.17 0.40 0.00 0.21 0.00 0.00 52.86 54.23 1it6 s ASN 219 Cb -0.19 -1.94 2.23 0.00 -0.55 0.00 0.00 41.25 40.80 1it6 s ASN 219 CO 0.24 0.23 2.33 0.44 -2.79 0.00 0.00 177.10 177.55 1it6 h ASP 220 N 6.25 0.00 0.29 -4.21 3.32 -1.94 -2.26 116.42 117.87 1it6 h ASP 220 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1it6 h ASP 220 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1it6 h ASP 220 CO 0.68 0.00 0.00 0.03 -1.72 0.00 0.00 179.24 178.23 1it6 h ARG 221 N 0.00 0.00 0.00 3.56 3.08 -1.96 -3.45 114.38 115.61 1it6 h ARG 221 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1it6 h ARG 221 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1it6 h ARG 221 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1it6 n GLY 222 N -0.79 0.75 3.42 0.04 0.00 -0.85 -5.06 105.19 102.70 1it6 n GLY 222 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1it6 n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1it6 s VAL 223 N -2.01 0.03 0.00 1.61 0.11 -1.26 -5.06 120.40 113.83 1it6 s VAL 223 Ca 0.00 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1it6 s VAL 223 Cb 0.00 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1it6 s VAL 223 CO 0.00 -0.14 0.00 -0.24 -3.33 0.00 0.00 175.10 171.39 1it6 n SER 224 N -0.32 -1.77 -3.75 3.54 2.88 -1.26 -4.44 113.62 108.50 1it6 n SER 224 Ca -0.14 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.19 1it6 n SER 224 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 1it6 n SER 224 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1it6 s PHE 225 N 0.00 1.69 0.13 0.66 0.40 -1.26 -3.54 117.98 116.06 1it6 s PHE 225 Ca 0.00 -1.48 0.11 0.00 -0.60 0.00 0.00 56.93 54.95 1it6 s PHE 225 Cb 0.00 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1it6 s PHE 225 CO 0.00 -0.63 -0.26 0.95 0.70 0.00 0.00 175.22 175.98 1it6 s THR 226 N -3.47 2.29 0.05 0.64 -4.23 -0.63 -2.52 115.64 107.78 1it6 s THR 226 Ca 0.35 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1it6 s THR 226 Cb 0.03 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1it6 s THR 226 CO 0.21 0.10 -0.14 0.72 -0.54 0.00 0.00 174.62 174.97 1it6 s PHE 227 N -1.06 1.18 0.66 3.99 -0.71 -0.54 -1.40 117.98 120.10 1it6 s PHE 227 Ca 0.14 -0.41 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 1it6 s PHE 227 Cb -0.10 -0.68 0.03 0.00 -1.21 0.00 0.00 43.02 41.06 1it6 s PHE 227 CO 0.06 0.04 0.98 0.20 -1.34 0.00 0.00 175.22 175.17 1it6 s GLY 228 N -1.43 1.64 0.23 1.99 0.00 0.34 -1.48 107.32 108.61 1it6 s GLY 228 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 1it6 s GLY 228 CO 0.02 -0.38 1.88 0.00 0.00 0.00 0.00 173.10 174.62 1it6 h ALA 229 N -0.44 1.11 0.00 3.20 0.00 -1.82 -1.91 119.26 119.39 1it6 h ALA 229 Ca -0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1it6 h ALA 229 Cb 1.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1it6 h ALA 229 CO 0.61 0.41 -0.14 0.93 0.00 0.00 0.00 179.25 181.06 1it6 h GLU 230 N 1.09 0.00 -0.04 0.00 3.07 -1.94 -1.30 114.58 115.46 1it6 h GLU 230 Ca 0.33 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.00 1it6 h GLU 230 Cb -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1it6 h GLU 230 CO -0.10 0.14 -0.82 0.28 -1.40 0.00 0.00 179.01 177.11 1it6 h VAL 231 N 0.00 1.41 0.07 3.13 2.07 -1.68 -2.06 116.25 119.18 1it6 h VAL 231 Ca -0.00 -2.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 1it6 h VAL 231 Cb 0.41 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1it6 h VAL 231 CO 0.02 0.69 -0.03 0.58 0.02 0.00 0.00 177.57 178.85 1it6 h VAL 232 N 0.22 1.09 -0.83 2.57 2.07 -1.03 -1.53 116.25 118.81 1it6 h VAL 232 Ca -0.05 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1it6 h VAL 232 Cb 1.42 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 1it6 h VAL 232 CO 0.14 0.14 0.50 0.00 0.02 0.00 0.00 177.57 178.36 1it6 h ALA 233 N 0.58 1.16 -0.77 1.67 0.00 -1.39 0.31 119.26 120.82 1it6 h ALA 233 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1it6 h ALA 233 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1it6 h ALA 233 CO 0.02 0.18 0.34 -0.22 0.00 0.00 0.00 179.25 179.56 1it6 h LYS 234 N 0.87 1.13 -0.14 0.00 3.64 -1.18 -1.80 116.57 119.09 1it6 h LYS 234 Ca 0.38 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1it6 h LYS 234 Cb 0.26 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1it6 h LYS 234 CO -0.20 0.90 -0.04 0.35 -2.27 0.00 0.00 179.45 178.18 1it6 h PHE 235 N 1.09 0.31 -0.74 1.91 3.57 -0.41 -2.22 116.94 120.45 1it6 h PHE 235 Ca 0.26 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1it6 h PHE 235 Cb 0.17 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1it6 h PHE 235 CO 0.01 0.57 0.48 -0.07 -2.23 0.00 0.00 178.31 177.07 1it6 h LEU 236 N -0.03 0.80 -0.41 0.59 3.38 -0.81 -2.33 115.31 116.50 1it6 h LEU 236 Ca 0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1it6 h LEU 236 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1it6 h LEU 236 CO 0.01 0.57 -0.18 -0.74 0.09 0.00 0.00 178.44 178.19 1it6 h HIS 237 N 0.95 0.96 -0.44 1.13 2.76 -1.33 0.10 115.15 119.28 1it6 h HIS 237 Ca 0.29 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1it6 h HIS 237 Cb -0.03 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1it6 h HIS 237 CO -0.03 1.00 0.11 -0.22 -1.30 0.00 0.00 177.93 177.49 1it6 h LYS 238 N 0.65 0.65 -0.19 5.26 3.64 -1.13 -3.10 116.57 122.35 1it6 h LYS 238 Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1it6 h LYS 238 Cb 0.74 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1it6 h LYS 238 CO 0.06 0.59 0.00 0.72 -2.27 0.00 0.00 179.45 178.55 1it6 n HIS 239 N -4.32 0.23 -3.43 1.91 8.25 -0.90 -5.00 115.22 111.97 1it6 n HIS 239 Ca 0.03 -0.16 -0.18 0.00 -0.26 0.00 0.00 57.72 57.16 1it6 n HIS 239 Cb 0.20 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.39 1it6 n HIS 239 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1it6 n ASP 240 N 1.05 -2.56 -4.74 0.41 -0.08 -0.14 -5.03 116.55 105.46 1it6 n ASP 240 Ca 0.13 -0.60 -0.23 0.00 -1.51 0.00 0.00 54.79 52.58 1it6 n ASP 240 Cb 0.47 -5.05 -0.06 0.00 2.34 0.00 0.00 41.12 38.82 1it6 n ASP 240 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1it6 s LEU 241 N -6.41 3.27 -0.09 -2.67 1.43 -0.27 -4.77 118.68 109.16 1it6 s LEU 241 Ca 0.07 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1it6 s LEU 241 Cb -0.03 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 1it6 s LEU 241 CO 0.72 -0.31 0.06 0.47 0.23 0.00 0.00 176.35 177.52 1it6 n ASP 242 N -1.16 2.50 -3.76 2.29 8.00 0.74 -4.62 116.55 120.54 1it6 n ASP 242 Ca -0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 1it6 n ASP 242 Cb 0.61 0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 42.45 1it6 n ASP 242 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1it6 s LEU 243 N -4.65 0.84 -0.14 0.64 2.96 -1.02 -4.81 118.68 112.50 1it6 s LEU 243 Ca -0.05 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1it6 s LEU 243 Cb 0.03 1.30 -0.01 0.00 0.50 0.00 0.00 46.19 48.01 1it6 s LEU 243 CO 0.42 -0.48 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.22 1it6 s ILE 244 N -1.53 3.06 -0.17 6.68 1.01 -0.39 -1.25 121.20 128.61 1it6 s ILE 244 Ca -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1it6 s ILE 244 Cb -0.04 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1it6 s ILE 244 CO 0.03 0.51 -0.20 0.00 0.00 0.00 0.00 174.94 175.29 1it6 s ARG 246 N 1.16 1.43 0.00 0.00 1.04 -0.20 -2.29 118.95 120.09 1it6 s ARG 246 Ca 0.02 -1.71 0.00 0.00 -1.04 0.00 0.00 55.73 53.00 1it6 s ARG 246 Cb -0.14 0.32 0.00 0.00 -2.04 0.00 0.00 34.95 33.09 1it6 s ARG 246 CO -0.09 -0.51 0.00 0.00 -0.04 0.00 0.00 175.30 174.65 1it6 n ALA 247 N -0.40 0.00 0.00 7.88 0.00 -0.67 0.08 120.51 127.40 1it6 n ALA 247 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1it6 n ALA 247 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1it6 n ALA 247 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1it6 n HIS 248 N 0.00 0.00 -4.51 0.00 -0.00 -1.23 -4.64 115.22 104.84 1it6 n HIS 248 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 1it6 n HIS 248 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 1it6 n HIS 248 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1it6 s GLN 249 N 0.00 3.47 -0.01 1.57 0.74 -1.26 -5.08 119.66 119.09 1it6 s GLN 249 Ca 0.00 -0.62 -0.30 0.00 0.05 0.00 0.00 55.36 54.48 1it6 s GLN 249 Cb 0.00 -2.78 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 1it6 s GLN 249 CO 0.00 0.15 1.27 0.54 -0.55 0.00 0.00 175.29 176.70 1it6 s VAL 250 N 0.55 3.99 -0.02 1.34 0.11 -1.26 -4.70 120.40 120.41 1it6 s VAL 250 Ca -0.06 1.37 0.06 0.00 -2.93 0.00 0.00 61.98 60.42 1it6 s VAL 250 Cb -0.15 -3.88 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 1it6 s VAL 250 CO 0.03 0.02 -0.19 0.68 -3.33 0.00 0.00 175.10 172.32 1it6 s VAL 251 N 2.00 1.53 0.31 2.04 -7.23 -1.26 -5.06 120.40 112.73 1it6 s VAL 251 Ca 0.59 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 60.01 1it6 s VAL 251 Cb -0.28 -1.28 0.30 0.00 0.56 0.00 0.00 36.38 35.68 1it6 s VAL 251 CO 0.25 0.43 1.81 -0.08 -0.31 0.00 0.00 175.10 177.20 1it6 h GLU 252 N 5.81 0.78 -0.04 4.82 4.81 -1.91 -2.34 114.58 126.51 1it6 h GLU 252 Ca -0.37 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1it6 h GLU 252 Cb 1.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1it6 h GLU 252 CO 0.48 0.51 0.00 -0.25 -0.73 0.00 0.00 179.01 179.02 1it6 n ASP 253 N -4.68 1.38 0.00 1.04 10.43 -1.26 -0.88 116.55 122.57 1it6 n ASP 253 Ca 0.21 -1.49 0.00 0.00 2.57 0.00 0.00 54.79 56.08 1it6 n ASP 253 Cb 0.51 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.45 1it6 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1it6 n GLY 254 N 1.15 2.56 3.10 0.44 0.00 -0.88 -4.71 105.19 106.85 1it6 n GLY 254 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1it6 n GLY 254 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1it6 s TYR 255 N -1.20 0.64 -0.28 1.61 1.13 -1.26 -1.24 117.35 116.75 1it6 s TYR 255 Ca 0.00 -0.88 -0.13 0.00 -1.41 0.00 0.00 57.07 54.64 1it6 s TYR 255 Cb 0.00 -0.41 0.10 0.00 -1.10 0.00 0.00 41.96 40.55 1it6 s TYR 255 CO 0.00 -0.24 0.66 -2.00 -2.51 0.00 0.00 175.55 171.46 1it6 s GLU 256 N -3.33 0.63 0.41 -3.49 2.12 -0.76 -4.91 118.70 109.37 1it6 s GLU 256 Ca 0.04 1.30 -0.14 0.00 0.36 0.00 0.00 54.97 56.54 1it6 s GLU 256 Cb 0.03 0.44 -0.08 0.00 0.26 0.00 0.00 34.13 34.78 1it6 s GLU 256 CO -0.06 -0.17 0.82 -0.06 -0.54 0.00 0.00 175.26 175.24 1it6 s PHE 257 N 2.17 3.43 0.01 5.30 0.08 -1.26 -0.90 117.98 126.81 1it6 s PHE 257 Ca -0.08 1.21 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 1it6 s PHE 257 Cb -0.08 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 39.80 1it6 s PHE 257 CO -0.19 -0.11 0.06 0.12 -0.10 0.00 0.00 175.22 175.01 1it6 s PHE 258 N -2.31 0.12 -0.71 0.36 5.36 0.25 -4.88 117.98 116.18 1it6 s PHE 258 Ca 0.54 -0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.20 1it6 s PHE 258 Cb -0.10 -0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1it6 s PHE 258 CO 0.26 -0.23 0.66 0.00 -1.46 0.00 0.00 175.22 174.45 1it6 n ALA 259 N 1.62 -2.63 -4.21 11.12 0.00 -1.26 -1.77 120.51 123.38 1it6 n ALA 259 Ca -0.23 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1it6 n ALA 259 Cb 0.56 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1it6 n ALA 259 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1it6 n LYS 260 N -1.71 -3.21 -1.95 0.00 5.02 -1.26 -0.93 118.16 114.12 1it6 n LYS 260 Ca -0.07 0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1it6 n LYS 260 Cb 0.55 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.46 1it6 n LYS 260 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1it6 n ARG 261 N -4.39 -1.07 0.01 1.97 1.74 -1.11 -4.90 116.66 108.91 1it6 n ARG 261 Ca 0.05 0.80 0.12 0.00 -0.77 0.00 0.00 57.85 58.05 1it6 n ARG 261 Cb 0.50 -5.01 0.25 0.00 -1.02 0.00 0.00 32.46 27.18 1it6 n ARG 261 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1it6 n GLN 262 N -2.44 0.06 -3.85 5.56 6.02 -0.10 -4.87 117.38 117.75 1it6 n GLN 262 Ca -0.16 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.73 1it6 n GLN 262 Cb 0.57 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 1it6 n GLN 262 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1it6 s LEU 263 N -3.24 1.56 -0.03 1.08 0.20 -0.97 -1.27 118.68 116.02 1it6 s LEU 263 Ca 0.10 0.04 0.03 0.00 0.69 0.00 0.00 54.13 54.99 1it6 s LEU 263 Cb 0.17 0.52 0.00 0.00 -0.43 0.00 0.00 46.19 46.45 1it6 s LEU 263 CO 0.70 -0.19 -0.10 0.54 -0.29 0.00 0.00 176.35 177.01 1it6 s VAL 264 N -0.58 0.83 -0.19 1.68 0.11 -0.04 -0.58 120.40 121.64 1it6 s VAL 264 Ca -0.07 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 1it6 s VAL 264 Cb -0.04 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1it6 s VAL 264 CO 0.01 0.26 0.11 -0.89 -3.33 0.00 0.00 175.10 171.25 1it6 s THR 265 N 0.17 5.24 -0.06 5.04 2.01 -0.08 -1.03 115.64 126.92 1it6 s THR 265 Ca -0.03 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1it6 s THR 265 Cb -0.09 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1it6 s THR 265 CO 0.01 0.47 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.40 1it6 s LEU 266 N 0.20 2.09 -0.05 4.42 1.43 0.11 -1.83 118.68 125.06 1it6 s LEU 266 Ca 0.07 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1it6 s LEU 266 Cb -0.11 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1it6 s LEU 266 CO -0.01 0.24 0.05 0.12 0.23 0.00 0.00 176.35 176.98 1it6 s PHE 267 N -0.13 0.19 -2.01 0.29 5.36 -0.37 -4.09 117.98 117.22 1it6 s PHE 267 Ca -0.05 0.16 0.18 0.00 -0.96 0.00 0.00 56.93 56.27 1it6 s PHE 267 Cb -0.14 -0.54 0.29 0.00 -0.34 0.00 0.00 43.02 42.29 1it6 s PHE 267 CO 0.04 -0.21 1.22 0.43 -1.46 0.00 0.00 175.22 175.23 1it6 n SER 268 N 5.21 2.93 -4.34 6.13 7.64 -0.63 -1.05 113.62 129.51 1it6 n SER 268 Ca -0.05 -1.86 -0.45 0.00 1.01 0.00 0.00 58.87 57.51 1it6 n SER 268 Cb 0.50 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1it6 n SER 268 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1it6 s ALA 269 N -1.33 3.57 0.50 -0.43 0.00 -0.41 -4.59 121.76 119.07 1it6 s ALA 269 Ca 0.28 -2.41 -0.22 0.00 0.00 0.00 0.00 51.96 49.61 1it6 s ALA 269 Cb 0.17 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1it6 s ALA 269 CO 0.24 -2.10 1.28 -2.14 0.00 0.00 0.00 175.76 173.04 1it6 s PRO 270 N 1.94 3.43 -1.30 0.00 0.02 -1.26 -3.42 135.00 134.40 1it6 s PRO 270 Ca 0.06 2.05 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 1it6 s PRO 270 Cb -0.28 -2.34 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 1it6 s PRO 270 CO 0.04 -0.90 0.57 -1.71 -0.33 0.00 0.00 177.00 174.67 1it6 n ASN 271 N -0.75 -2.22 -4.59 2.53 5.15 -0.26 -4.81 115.26 110.30 1it6 n ASN 271 Ca 0.09 -1.02 -0.51 0.00 -0.60 0.00 0.00 54.58 52.54 1it6 n ASN 271 Cb 0.46 -3.14 -0.05 0.00 -0.53 0.00 0.00 39.78 36.52 1it6 n ASN 271 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1it6 n TYR 272 N -4.36 1.43 -0.94 1.20 -0.00 -1.21 -0.92 117.16 112.37 1it6 n TYR 272 Ca -0.23 0.65 -0.04 0.00 -0.00 0.00 0.00 57.90 58.29 1it6 n TYR 272 Cb 0.65 -2.31 -0.02 0.00 -0.00 0.00 0.00 39.34 37.66 1it6 n TYR 272 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1it6 n GLY 274 N 0.55 0.72 0.00 0.00 0.00 -0.09 -4.87 105.19 101.50 1it6 n GLY 274 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1it6 n GLY 274 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1it6 n GLU 275 N -2.45 0.09 -2.82 1.61 0.28 -0.64 -5.06 120.64 111.64 1it6 n GLU 275 Ca -0.10 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.50 1it6 n GLU 275 Cb 0.39 -0.63 -0.06 0.00 1.43 0.00 0.00 31.44 32.58 1it6 n GLU 275 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1it6 s PHE 276 N -1.26 3.92 -0.48 -1.84 0.40 -1.13 -4.92 117.98 112.67 1it6 s PHE 276 Ca 0.00 1.79 -0.01 0.00 -0.60 0.00 0.00 56.93 58.11 1it6 s PHE 276 Cb 0.00 -2.92 0.35 0.00 0.51 0.00 0.00 43.02 40.96 1it6 s PHE 276 CO 0.00 0.42 1.99 -0.25 0.70 0.00 0.00 175.22 178.08 1it6 n ASP 277 N 1.81 6.70 -4.78 1.36 9.92 -1.26 -3.34 116.55 126.95 1it6 n ASP 277 Ca -0.02 -3.41 -0.33 0.00 -0.53 0.00 0.00 54.79 50.50 1it6 n ASP 277 Cb 0.48 -0.99 0.04 0.00 -0.64 0.00 0.00 41.12 40.01 1it6 n ASP 277 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1it6 s ASN 278 N -0.83 5.28 0.55 -2.24 4.22 -1.26 -4.77 114.94 115.88 1it6 s ASN 278 Ca 0.48 1.93 0.03 0.00 -2.14 0.00 0.00 52.86 53.16 1it6 s ASN 278 Cb 0.38 -2.54 0.05 0.00 1.28 0.00 0.00 41.25 40.41 1it6 s ASN 278 CO 0.00 -1.51 0.76 0.00 -2.04 0.00 0.00 177.10 174.31 1it6 s ALA 279 N -2.42 4.11 0.09 3.54 0.00 -0.06 -1.11 121.76 125.90 1it6 s ALA 279 Ca 0.65 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1it6 s ALA 279 Cb -0.19 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1it6 s ALA 279 CO 0.41 -0.75 -0.17 0.20 0.00 0.00 0.00 175.76 175.45 1it6 s GLY 280 N -4.48 1.66 0.11 0.00 0.00 0.68 -3.48 107.32 101.81 1it6 s GLY 280 Ca 0.59 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1it6 s GLY 280 CO 0.38 -1.22 -0.08 0.00 0.00 0.00 0.00 173.10 172.18 1it6 s ALA 281 N -1.06 1.10 0.01 3.20 0.00 -0.21 0.32 121.76 125.11 1it6 s ALA 281 Ca 0.17 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1it6 s ALA 281 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1it6 s ALA 281 CO 0.08 -0.20 -0.03 1.41 0.00 0.00 0.00 175.76 177.03 1it6 s MET 282 N -3.81 0.25 -0.16 0.00 1.75 -0.52 -4.22 119.30 112.59 1it6 s MET 282 Ca 0.13 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.32 1it6 s MET 282 Cb 0.05 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.56 1it6 s MET 282 CO -0.03 0.03 -0.13 1.41 -0.65 0.00 0.00 175.02 175.65 1it6 s MET 283 N -0.46 3.30 -0.17 4.11 1.75 -0.56 -1.44 119.30 125.82 1it6 s MET 283 Ca -0.03 -0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 53.62 1it6 s MET 283 Cb -0.03 -2.69 -0.05 0.00 2.84 0.00 0.00 34.83 34.90 1it6 s MET 283 CO -0.00 0.05 0.13 -1.12 -0.65 0.00 0.00 175.02 173.42 1it6 s SER 284 N 0.76 6.22 -0.21 1.11 0.01 -0.61 0.06 113.70 121.05 1it6 s SER 284 Ca -0.05 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.53 1it6 s SER 284 Cb -0.15 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1it6 s SER 284 CO 0.01 0.26 -0.17 -0.69 0.41 0.00 0.00 173.24 173.07 1it6 s VAL 285 N -0.14 2.07 0.73 3.43 1.01 -0.09 -2.34 120.40 125.07 1it6 s VAL 285 Ca 0.10 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1it6 s VAL 285 Cb -0.11 -1.98 0.14 0.00 0.00 0.00 0.00 36.38 34.42 1it6 s VAL 285 CO 0.00 0.35 1.01 1.51 0.00 0.00 0.00 175.10 177.96 1it6 s ASP 286 N 1.24 4.28 0.56 3.32 1.47 -0.94 -1.51 116.67 125.09 1it6 s ASP 286 Ca 0.00 -0.46 0.29 0.00 1.18 0.00 0.00 52.55 53.56 1it6 s ASP 286 Cb -0.15 0.14 1.46 0.00 -0.34 0.00 0.00 42.92 44.03 1it6 s ASP 286 CO -0.10 -1.92 1.90 -0.33 0.68 0.00 0.00 175.17 175.40 1it6 h GLU 287 N -0.55 0.00 -0.69 2.11 3.07 -1.91 0.36 114.58 116.97 1it6 h GLU 287 Ca -0.35 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.45 1it6 h GLU 287 Cb 1.26 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.14 1it6 h GLU 287 CO 0.38 0.00 0.08 0.25 -1.40 0.00 0.00 179.01 178.32 1it6 n THR 288 N -3.99 2.43 -2.83 1.13 -2.24 -1.26 -4.89 114.28 102.63 1it6 n THR 288 Ca 0.12 -1.25 -0.19 0.00 -2.27 0.00 0.00 64.05 60.47 1it6 n THR 288 Cb 0.78 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1it6 n THR 288 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1it6 n LEU 289 N 0.34 -1.70 -4.69 3.22 4.77 0.12 -4.94 117.00 114.12 1it6 n LEU 289 Ca 0.27 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1it6 n LEU 289 Cb 1.12 -2.42 -0.05 0.00 -2.33 0.00 0.00 43.42 39.74 1it6 n LEU 289 CO 0.31 0.02 0.44 -0.32 -1.33 0.00 0.00 177.39 176.52 1it6 s MET 290 N -5.47 4.35 -0.14 3.23 -2.45 -1.26 -4.87 119.30 112.69 1it6 s MET 290 Ca 0.18 0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 55.43 1it6 s MET 290 Cb -0.09 -3.51 -0.03 0.00 1.25 0.00 0.00 34.83 32.45 1it6 s MET 290 CO 0.23 -0.11 -0.01 0.00 1.05 0.00 0.00 175.02 176.18 1it6 s SER 292 N 0.06 1.48 -0.02 0.00 1.04 -0.99 -4.99 113.70 110.28 1it6 s SER 292 Ca 0.02 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1it6 s SER 292 Cb -0.13 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1it6 s SER 292 CO 0.02 -0.17 -0.13 -0.36 0.98 0.00 0.00 173.24 173.58 1it6 s PHE 293 N -1.75 2.72 -0.20 5.02 0.08 -1.26 -1.57 117.98 121.02 1it6 s PHE 293 Ca -0.00 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.92 1it6 s PHE 293 Cb -0.07 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1it6 s PHE 293 CO 0.01 0.26 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.56 1it6 s GLN 294 N -1.08 2.88 -0.14 0.44 -0.21 -0.52 -4.99 119.66 116.05 1it6 s GLN 294 Ca 0.14 -0.91 -0.07 0.00 0.02 0.00 0.00 55.36 54.53 1it6 s GLN 294 Cb -0.11 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 1it6 s GLN 294 CO 0.03 -0.27 0.13 0.42 -2.12 0.00 0.00 175.29 173.48 1it6 s ILE 295 N 1.27 5.42 -0.27 1.08 -1.09 -1.26 -1.44 121.20 124.91 1it6 s ILE 295 Ca 0.03 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.57 1it6 s ILE 295 Cb -0.14 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1it6 s ILE 295 CO -0.11 0.58 0.04 -0.76 -1.23 0.00 0.00 174.94 173.46 1it6 s LEU 296 N -0.70 3.58 0.27 2.97 1.43 0.15 -4.96 118.68 121.41 1it6 s LEU 296 Ca 0.13 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1it6 s LEU 296 Cb -0.12 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 1it6 s LEU 296 CO 0.03 -0.14 0.63 -0.54 0.23 0.00 0.00 176.35 176.56 1it6 s LYS 297 N 1.48 3.90 0.02 1.70 3.01 -1.26 -0.23 119.74 128.37 1it6 s LYS 297 Ca 0.03 0.46 -0.35 0.00 -1.01 0.00 0.00 55.97 55.11 1it6 s LYS 297 Cb -0.16 -2.56 -0.14 0.00 -1.01 0.00 0.00 37.83 33.96 1it6 s LYS 297 CO 0.01 0.25 1.68 -0.35 0.51 0.00 0.00 175.35 177.45 1it6 n PRO 298 N -0.20 1.96 0.00 -1.68 -0.04 -1.26 -4.93 135.00 128.85 1it6 n PRO 298 Ca 0.02 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1it6 n PRO 298 Cb 0.53 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1it6 n PRO 298 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46