#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbr n LEU 40 N 0.00 0.00 -4.22 -4.62 7.94 -1.20 -4.81 117.00 110.09 1xbr n LEU 40 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1xbr n LEU 40 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1xbr n LEU 40 CO 0.00 0.00 -0.55 -0.54 -1.11 0.00 0.00 177.39 175.19 1xbr s LYS 41 N 0.00 2.71 -0.20 1.96 3.01 0.40 -4.95 119.74 122.68 1xbr s LYS 41 Ca 0.00 -0.84 0.01 0.00 -1.01 0.00 0.00 55.97 54.13 1xbr s LYS 41 Cb 0.00 -2.14 0.04 0.00 -1.01 0.00 0.00 37.83 34.72 1xbr s LYS 41 CO 0.00 0.24 -0.13 0.08 0.51 0.00 0.00 175.35 176.05 1xbr s VAL 42 N 0.18 1.80 0.16 3.17 1.01 -1.26 -1.00 120.40 124.47 1xbr s VAL 42 Ca -0.13 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1xbr s VAL 42 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1xbr s VAL 42 CO 0.06 0.27 -0.03 -0.44 0.00 0.00 0.00 175.10 174.96 1xbr s SER 43 N 1.34 4.64 -0.21 3.32 0.01 0.17 -4.92 113.70 118.06 1xbr s SER 43 Ca -0.00 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 1xbr s SER 43 Cb -0.16 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1xbr s SER 43 CO -0.09 0.11 0.60 -0.22 0.41 0.00 0.00 173.24 174.04 1xbr s LEU 44 N -2.80 4.13 0.48 2.44 2.96 -1.26 -0.14 118.68 124.49 1xbr s LEU 44 Ca 0.26 0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 1xbr s LEU 44 Cb -0.10 -2.83 -0.07 0.00 0.50 0.00 0.00 46.19 43.70 1xbr s LEU 44 CO 0.17 -0.26 0.89 -1.61 -1.32 0.00 0.00 176.35 174.23 1xbr s GLU 45 N 1.90 3.84 -1.47 1.98 0.41 0.27 -4.03 118.70 121.60 1xbr s GLU 45 Ca 0.27 0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 55.43 1xbr s GLU 45 Cb -0.16 -2.24 0.06 0.00 -1.78 0.00 0.00 34.13 30.01 1xbr s GLU 45 CO 0.10 -0.20 1.00 0.39 -0.49 0.00 0.00 175.26 176.06 1xbr n GLU 46 N -1.59 -6.02 -0.27 1.61 1.02 -1.26 -4.65 120.64 109.48 1xbr n GLU 46 Ca 0.05 0.65 0.07 0.00 -0.02 0.00 0.00 57.16 57.91 1xbr n GLU 46 Cb 0.54 -5.55 0.30 0.00 -0.02 0.00 0.00 31.44 26.71 1xbr n GLU 46 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1xbr h ARG 47 N -2.20 0.86 -0.16 3.49 2.43 -1.96 -2.70 114.38 114.14 1xbr h ARG 47 Ca -0.58 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1xbr h ARG 47 Cb 1.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1xbr h ARG 47 CO 0.63 0.57 0.08 -0.44 -1.51 0.00 0.00 179.97 179.30 1xbr h ASP 48 N 0.88 0.20 -0.69 -3.80 5.19 -1.94 -1.40 116.42 114.87 1xbr h ASP 48 Ca 0.40 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.66 1xbr h ASP 48 Cb 0.37 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 1xbr h ASP 48 CO -0.16 0.25 0.24 0.25 -3.12 0.00 0.00 179.24 176.69 1xbr h LEU 49 N 0.14 0.98 -0.63 1.55 5.85 -1.89 -2.36 115.31 118.94 1xbr h LEU 49 Ca 0.05 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1xbr h LEU 49 Cb 0.10 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1xbr h LEU 49 CO -0.01 0.91 0.30 -0.50 -0.34 0.00 0.00 178.44 178.80 1xbr h TRP 50 N 0.99 0.92 -0.95 1.25 4.06 -1.35 -2.65 115.95 118.22 1xbr h TRP 50 Ca 0.22 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.17 1xbr h TRP 50 Cb 0.26 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 28.08 1xbr h TRP 50 CO 0.02 0.70 0.61 1.15 -3.56 0.00 0.00 178.44 177.36 1xbr h THR 51 N 0.87 1.14 -0.34 1.49 2.02 -0.98 -0.24 112.91 116.87 1xbr h THR 51 Ca 0.22 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1xbr h THR 51 Cb 0.13 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1xbr h THR 51 CO -0.03 0.21 -0.09 -0.09 0.37 0.00 0.00 175.52 175.90 1xbr h ARG 52 N 1.17 0.58 -0.29 6.66 9.65 -1.16 -1.31 114.38 129.67 1xbr h ARG 52 Ca 0.39 -0.16 -0.18 0.00 -1.10 0.00 0.00 59.98 58.93 1xbr h ARG 52 Cb 0.05 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1xbr h ARG 52 CO -0.14 0.67 -0.52 0.74 2.80 0.00 0.00 179.97 183.52 1xbr h PHE 53 N 0.54 1.08 -0.32 2.20 0.04 -0.96 -3.17 116.94 116.35 1xbr h PHE 53 Ca 0.10 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1xbr h PHE 53 Cb 0.48 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1xbr h PHE 53 CO 0.02 1.21 0.21 -0.22 -0.60 0.00 0.00 178.31 178.92 1xbr h LYS 54 N 0.65 0.43 -0.07 1.51 1.63 -0.74 -1.58 116.57 118.40 1xbr h LYS 54 Ca 0.02 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1xbr h LYS 54 Cb 1.12 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1xbr h LYS 54 CO 0.12 0.30 0.11 0.93 -3.45 0.00 0.00 179.45 177.46 1xbr h GLU 55 N 0.43 0.00 -0.02 1.90 5.08 -1.25 0.59 114.58 121.31 1xbr h GLU 55 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xbr h GLU 55 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1xbr h GLU 55 CO -0.02 0.00 -0.45 1.28 -1.00 0.00 0.00 179.01 178.82 1xbr n LEU 56 N -3.56 2.09 -1.78 1.33 4.77 -0.95 -5.02 117.00 113.87 1xbr n LEU 56 Ca -0.01 -0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 55.19 1xbr n LEU 56 Cb 0.20 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xbr n LEU 56 CO 0.24 0.39 -0.14 0.41 -1.33 0.00 0.00 177.39 176.96 1xbr n THR 57 N 0.06 -4.79 -1.84 -5.08 -1.04 0.20 -4.96 114.28 96.82 1xbr n THR 57 Ca 0.09 0.53 -0.37 0.00 -2.04 0.00 0.00 64.05 62.27 1xbr n THR 57 Cb 0.48 -4.55 0.05 0.00 -1.82 0.00 0.00 70.33 64.49 1xbr n THR 57 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1xbr s ASN 58 N -0.31 5.06 -0.03 8.00 3.84 -0.67 -4.91 114.94 125.93 1xbr s ASN 58 Ca -0.03 2.61 0.02 0.00 0.21 0.00 0.00 52.86 55.68 1xbr s ASN 58 Cb 0.00 -2.62 0.01 0.00 -0.55 0.00 0.00 41.25 38.09 1xbr s ASN 58 CO 0.19 -1.70 -0.08 -1.61 -2.79 0.00 0.00 177.10 171.12 1xbr s GLU 59 N -3.15 0.90 -0.09 0.43 2.02 -1.26 -0.92 118.70 116.63 1xbr s GLU 59 Ca 0.76 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 55.52 1xbr s GLU 59 Cb -0.37 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.02 1xbr s GLU 59 CO 0.41 0.08 -0.21 -1.64 0.02 0.00 0.00 175.26 173.92 1xbr s MET 60 N 0.28 2.74 0.35 1.61 -1.94 -0.66 -4.88 119.30 116.79 1xbr s MET 60 Ca -0.04 -0.77 -0.26 0.00 -1.71 0.00 0.00 55.69 52.91 1xbr s MET 60 Cb -0.09 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.56 1xbr s MET 60 CO 0.00 0.14 1.04 0.42 -0.01 0.00 0.00 175.02 176.61 1xbr s ILE 61 N 0.43 3.75 -0.04 2.53 -1.09 -1.25 -0.28 121.20 125.25 1xbr s ILE 61 Ca -0.18 1.48 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1xbr s ILE 61 Cb -0.17 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1xbr s ILE 61 CO 0.07 0.14 -0.05 0.68 -1.23 0.00 0.00 174.94 174.55 1xbr s VAL 62 N -1.50 0.58 0.37 2.92 -7.23 0.01 -4.73 120.40 110.82 1xbr s VAL 62 Ca 0.52 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.58 1xbr s VAL 62 Cb -0.24 -0.58 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 1xbr s VAL 62 CO 0.31 0.22 -0.00 0.42 -0.31 0.00 0.00 175.10 175.74 1xbr s THR 63 N 0.72 1.82 0.55 5.32 -4.23 -1.24 -4.45 115.64 114.12 1xbr s THR 63 Ca -0.10 -2.04 0.26 0.00 -1.18 0.00 0.00 61.69 58.63 1xbr s THR 63 Cb -0.13 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1xbr s THR 63 CO 0.00 -0.06 2.21 0.50 -0.54 0.00 0.00 174.62 176.73 1xbr h LYS 64 N 1.94 0.00 -0.00 3.99 3.64 -1.97 -2.42 116.57 121.75 1xbr h LYS 64 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1xbr h LYS 64 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1xbr h LYS 64 CO 0.75 0.02 -0.83 0.09 -2.27 0.00 0.00 179.45 177.22 1xbr n ASN 65 N -3.97 1.00 0.00 4.20 3.02 -1.26 -4.76 115.26 113.48 1xbr n ASN 65 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1xbr n ASN 65 Cb 0.11 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1xbr n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbr n GLY 66 N 1.42 1.99 3.16 7.41 0.00 -0.91 -5.01 105.19 113.25 1xbr n GLY 66 Ca 0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1xbr n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xbr s ARG 67 N -5.04 1.08 0.61 1.61 6.06 0.79 -4.75 118.95 119.30 1xbr s ARG 67 Ca 0.00 -0.75 -0.10 0.00 -2.50 0.00 0.00 55.73 52.38 1xbr s ARG 67 Cb 0.00 -1.10 -0.04 0.00 0.06 0.00 0.00 34.95 33.87 1xbr s ARG 67 CO 0.00 0.28 1.01 1.03 -2.50 0.00 0.00 175.30 175.12 1xbr s ARG 68 N -0.99 3.54 0.38 5.12 0.52 -1.26 -0.14 118.95 126.13 1xbr s ARG 68 Ca 0.04 0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 55.78 1xbr s ARG 68 Cb -0.08 -2.11 -0.08 0.00 0.52 0.00 0.00 34.95 33.21 1xbr s ARG 68 CO 0.01 -0.56 0.78 -1.64 0.02 0.00 0.00 175.30 173.91 1xbr s MET 69 N -5.14 3.89 -0.20 3.54 -1.94 -1.26 -4.88 119.30 113.31 1xbr s MET 69 Ca 0.54 0.61 -0.09 0.00 -1.71 0.00 0.00 55.69 55.04 1xbr s MET 69 Cb -0.11 -2.38 0.08 0.00 2.01 0.00 0.00 34.83 34.44 1xbr s MET 69 CO 0.53 0.01 0.45 0.12 -0.01 0.00 0.00 175.02 176.12 1xbr s PHE 70 N -2.25 -0.78 1.11 -0.03 5.36 -1.26 -4.11 117.98 116.03 1xbr s PHE 70 Ca 0.53 1.53 -0.13 0.00 -0.96 0.00 0.00 56.93 57.91 1xbr s PHE 70 Cb -0.10 0.35 0.25 0.00 -0.34 0.00 0.00 43.02 43.18 1xbr s PHE 70 CO 0.26 -0.44 1.05 -2.14 -1.46 0.00 0.00 175.22 172.48 1xbr s PRO 71 N 2.10 -0.51 0.05 10.12 0.02 -1.26 -4.95 135.00 140.58 1xbr s PRO 71 Ca -0.06 0.66 -0.28 0.00 0.02 0.00 0.00 61.00 61.34 1xbr s PRO 71 Cb -0.10 -1.62 -0.05 0.00 0.02 0.00 0.00 34.50 32.76 1xbr s PRO 71 CO -0.14 -3.40 0.90 0.08 -0.33 0.00 0.00 177.00 174.11 1xbr s VAL 72 N -2.67 4.70 -0.29 3.83 1.01 -1.26 -4.99 120.40 120.73 1xbr s VAL 72 Ca 0.67 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 64.27 1xbr s VAL 72 Cb -0.22 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1xbr s VAL 72 CO 0.62 0.28 1.53 -0.22 0.00 0.00 0.00 175.10 177.31 1xbr s LEU 73 N 0.33 3.77 -0.04 3.92 2.96 -1.26 -4.93 118.68 123.43 1xbr s LEU 73 Ca 0.45 1.33 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1xbr s LEU 73 Cb -0.21 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1xbr s LEU 73 CO 0.27 -1.32 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.29 1xbr s LYS 74 N 4.76 1.54 0.07 1.98 1.02 -1.26 -0.69 119.74 127.15 1xbr s LYS 74 Ca 0.67 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1xbr s LYS 74 Cb -0.20 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1xbr s LYS 74 CO 0.29 0.19 -0.04 0.14 -0.92 0.00 0.00 175.35 175.01 1xbr s VAL 75 N 0.14 0.35 -0.11 3.17 -7.23 -0.06 -0.57 120.40 116.09 1xbr s VAL 75 Ca -0.05 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1xbr s VAL 75 Cb -0.11 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1xbr s VAL 75 CO 0.02 -0.94 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.30 1xbr s SER 76 N -2.96 4.10 0.07 4.85 0.01 0.81 0.14 113.70 120.72 1xbr s SER 76 Ca 0.09 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.16 1xbr s SER 76 Cb 0.07 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 1xbr s SER 76 CO -0.08 0.21 -0.23 0.00 0.41 0.00 0.00 173.24 173.55 1xbr s MET 77 N 0.11 1.40 0.15 12.44 0.23 -1.26 -0.66 119.30 131.71 1xbr s MET 77 Ca -0.06 -1.10 -0.09 0.00 -1.03 0.00 0.00 55.69 53.42 1xbr s MET 77 Cb -0.15 -1.63 -0.01 0.00 -1.53 0.00 0.00 34.83 31.52 1xbr s MET 77 CO 0.04 0.40 0.26 -1.54 -2.03 0.00 0.00 175.02 172.16 1xbr s SER 78 N -1.53 0.06 0.00 -1.18 1.04 -0.17 -4.38 113.70 107.54 1xbr s SER 78 Ca 0.09 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1xbr s SER 78 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1xbr s SER 78 CO 0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1xbr n GLY 79 N -0.19 0.56 3.88 7.32 0.00 -1.26 -0.45 105.19 115.06 1xbr n GLY 79 Ca -0.09 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1xbr n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xbr s LEU 80 N 0.00 4.28 -0.18 0.99 1.43 -1.26 -3.60 118.68 120.33 1xbr s LEU 80 Ca 0.00 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 1xbr s LEU 80 Cb 0.00 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1xbr s LEU 80 CO 0.00 0.07 1.81 -0.62 0.23 0.00 0.00 176.35 177.84 1xbr s ASP 81 N -2.20 6.17 0.55 2.29 -1.08 -1.26 -4.82 116.67 116.32 1xbr s ASP 81 Ca 0.40 1.83 0.30 0.00 -0.52 0.00 0.00 52.55 54.56 1xbr s ASP 81 Cb -0.13 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.27 1xbr s ASP 81 CO 0.22 -1.39 1.89 -0.65 0.52 0.00 0.00 175.17 175.76 1xbr h PRO 82 N 11.71 0.00 -0.01 4.34 0.11 -1.95 -0.90 132.00 145.30 1xbr h PRO 82 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xbr h PRO 82 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xbr h PRO 82 CO 0.99 0.00 -0.47 0.09 -0.21 0.00 0.00 178.00 178.40 1xbr n ASN 83 N -4.13 1.86 -4.84 -2.05 3.02 -1.26 -0.93 115.26 106.93 1xbr n ASN 83 Ca 0.15 -1.43 -0.32 0.00 -0.03 0.00 0.00 54.58 52.95 1xbr n ASN 83 Cb 0.87 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.52 1xbr n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xbr s ALA 84 N -2.35 3.05 -0.18 5.41 0.00 -0.35 -4.81 121.76 122.53 1xbr s ALA 84 Ca 0.16 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1xbr s ALA 84 Cb 0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1xbr s ALA 84 CO 0.54 -0.25 0.32 1.41 0.00 0.00 0.00 175.76 177.79 1xbr s MET 85 N -4.03 4.21 0.09 0.00 1.75 -1.26 -1.08 119.30 118.97 1xbr s MET 85 Ca 0.59 0.10 0.05 0.00 -1.25 0.00 0.00 55.69 55.19 1xbr s MET 85 Cb -0.10 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.05 1xbr s MET 85 CO 0.31 0.11 -0.14 0.71 -0.65 0.00 0.00 175.02 175.36 1xbr s TYR 86 N 0.87 1.27 -0.09 4.11 2.02 0.69 0.28 117.35 126.49 1xbr s TYR 86 Ca 0.17 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1xbr s TYR 86 Cb -0.14 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.73 1xbr s TYR 86 CO 0.06 0.08 -0.20 0.99 -1.57 0.00 0.00 175.55 174.91 1xbr s THR 87 N -1.66 1.75 -0.20 -0.71 2.01 -0.15 -0.29 115.64 116.39 1xbr s THR 87 Ca 0.02 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 1xbr s THR 87 Cb -0.08 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1xbr s THR 87 CO 0.02 0.49 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 1xbr s VAL 88 N 0.47 5.35 0.15 3.82 1.01 -1.26 -0.75 120.40 129.19 1xbr s VAL 88 Ca -0.17 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1xbr s VAL 88 Cb -0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1xbr s VAL 88 CO 0.07 0.44 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 1xbr s LEU 89 N 0.37 2.39 -0.04 3.92 1.43 0.57 -0.83 118.68 126.49 1xbr s LEU 89 Ca 0.07 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1xbr s LEU 89 Cb -0.11 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1xbr s LEU 89 CO -0.02 0.05 -0.06 -0.22 0.23 0.00 0.00 176.35 176.33 1xbr s LEU 90 N -2.43 1.48 0.22 1.79 2.96 -0.10 0.12 118.68 122.72 1xbr s LEU 90 Ca 0.15 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1xbr s LEU 90 Cb -0.08 -0.50 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 1xbr s LEU 90 CO 0.07 -0.02 0.23 1.51 -1.32 0.00 0.00 176.35 176.82 1xbr s ASP 91 N 0.71 0.15 -0.11 3.68 -4.77 -0.39 -0.00 116.67 115.94 1xbr s ASP 91 Ca -0.10 -1.29 0.02 0.00 -3.30 0.00 0.00 52.55 47.88 1xbr s ASP 91 Cb -0.13 0.44 0.01 0.00 -1.09 0.00 0.00 42.92 42.15 1xbr s ASP 91 CO 0.01 -0.93 -0.17 -0.36 0.70 0.00 0.00 175.17 174.42 1xbr s PHE 92 N -4.08 2.11 -0.07 2.11 0.40 -1.26 -0.35 117.98 116.83 1xbr s PHE 92 Ca 0.35 -0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1xbr s PHE 92 Cb 0.05 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1xbr s PHE 92 CO 0.12 -0.48 0.04 0.54 0.70 0.00 0.00 175.22 176.14 1xbr s VAL 93 N 0.89 4.63 0.09 -0.44 0.11 -0.52 -0.77 120.40 124.39 1xbr s VAL 93 Ca -0.08 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.46 1xbr s VAL 93 Cb -0.15 -3.00 -0.09 0.00 -1.53 0.00 0.00 36.38 31.61 1xbr s VAL 93 CO -0.00 0.55 1.74 0.00 -3.33 0.00 0.00 175.10 174.05 1xbr s ALA 94 N -0.98 3.72 0.21 1.54 0.00 -1.26 -0.92 121.76 124.07 1xbr s ALA 94 Ca 0.16 1.31 0.33 0.00 0.00 0.00 0.00 51.96 53.76 1xbr s ALA 94 Cb -0.12 -3.73 1.46 0.00 0.00 0.00 0.00 23.12 20.73 1xbr s ALA 94 CO 0.05 -1.17 2.02 0.00 0.00 0.00 0.00 175.76 176.67 1xbr h ALA 95 N 8.49 1.03 -2.26 0.00 0.00 -1.40 -3.47 119.26 121.66 1xbr h ALA 95 Ca -0.44 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 54.68 1xbr h ALA 95 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1xbr h ALA 95 CO 0.94 0.06 0.72 0.16 0.00 0.00 0.00 179.25 181.13 1xbr s ASP 96 N -5.74 -0.01 -0.45 0.00 1.47 -1.26 -5.03 116.67 105.65 1xbr s ASP 96 Ca -0.00 -0.43 0.04 0.00 1.18 0.00 0.00 52.55 53.34 1xbr s ASP 96 Cb 0.10 0.33 0.53 0.00 -0.34 0.00 0.00 42.92 43.55 1xbr s ASP 96 CO 0.54 -0.65 1.73 -0.46 0.68 0.00 0.00 175.17 177.01 1xbr n ASN 97 N -1.04 4.69 -4.58 2.11 0.23 -1.26 -4.79 115.26 110.62 1xbr n ASN 97 Ca -0.01 -3.73 -0.31 0.00 -0.53 0.00 0.00 54.58 49.99 1xbr n ASN 97 Cb 0.60 -0.76 -0.10 0.00 -2.08 0.00 0.00 39.78 37.43 1xbr n ASN 97 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1xbr s HIS 98 N -3.48 2.81 -0.07 -2.53 3.76 -1.26 -0.73 115.29 113.79 1xbr s HIS 98 Ca 0.55 -0.10 -0.17 0.00 -0.15 0.00 0.00 55.06 55.19 1xbr s HIS 98 Cb 0.46 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.57 1xbr s HIS 98 CO 0.03 0.38 0.45 0.50 -0.85 0.00 0.00 174.74 175.25 1xbr s ARG 99 N -1.71 4.20 0.19 1.40 3.52 -1.26 -4.49 118.95 120.79 1xbr s ARG 99 Ca 0.19 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1xbr s ARG 99 Cb -0.11 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1xbr s ARG 99 CO 0.10 0.36 0.22 -1.58 -0.81 0.00 0.00 175.30 173.59 1xbr s TRP 100 N -0.03 3.28 0.00 5.12 0.52 0.37 -2.27 118.94 125.94 1xbr s TRP 100 Ca 0.25 0.00 -0.02 0.00 0.02 0.00 0.00 56.10 56.35 1xbr s TRP 100 Cb -0.16 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 1xbr s TRP 100 CO 0.11 0.51 0.04 0.21 0.02 0.00 0.00 176.95 177.84 1xbr s LYS 101 N -3.39 0.26 -0.53 4.98 2.20 -0.10 -4.81 119.74 118.35 1xbr s LYS 101 Ca 0.33 -0.32 -0.21 0.00 -0.36 0.00 0.00 55.97 55.41 1xbr s LYS 101 Cb -0.10 0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.38 1xbr s LYS 101 CO 0.26 -0.05 0.75 -0.47 -0.36 0.00 0.00 175.35 175.48 1xbr s TYR 102 N -0.91 2.94 -0.16 4.03 5.04 -1.26 -0.57 117.35 126.46 1xbr s TYR 102 Ca -0.10 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 1xbr s TYR 102 Cb -0.06 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.50 1xbr s TYR 102 CO -0.00 -1.17 -0.21 0.08 -1.34 0.00 0.00 175.55 172.91 1xbr s VAL 103 N 3.16 2.08 -1.39 3.14 1.01 0.31 -4.75 120.40 123.96 1xbr s VAL 103 Ca 0.21 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1xbr s VAL 103 Cb -0.17 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1xbr s VAL 103 CO 0.15 0.54 0.65 0.59 0.00 0.00 0.00 175.10 177.03 1xbr n ASN 104 N 4.37 -1.50 -1.51 3.32 3.02 -1.26 -1.83 115.26 119.88 1xbr n ASN 104 Ca -0.21 -0.89 -0.14 0.00 -0.03 0.00 0.00 54.58 53.32 1xbr n ASN 104 Cb 0.51 -3.63 -0.02 0.00 -0.61 0.00 0.00 39.78 36.03 1xbr n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbr n GLY 105 N -1.72 0.08 3.18 7.41 0.00 -1.26 -5.01 105.19 107.86 1xbr n GLY 105 Ca -0.24 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1xbr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xbr s GLU 106 N -4.44 0.43 -0.10 1.61 2.56 -0.76 -5.07 118.70 112.93 1xbr s GLU 106 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 54.97 54.82 1xbr s GLU 106 Cb 0.00 0.20 -0.02 0.00 2.00 0.00 0.00 34.13 36.31 1xbr s GLU 106 CO 0.00 -0.08 1.05 -1.58 -0.56 0.00 0.00 175.26 174.08 1xbr s TRP 107 N -0.41 3.45 -0.03 5.30 0.52 -1.26 -0.53 118.94 125.98 1xbr s TRP 107 Ca -0.05 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1xbr s TRP 107 Cb -0.03 -3.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.06 1xbr s TRP 107 CO 0.01 -0.45 -0.06 0.08 0.02 0.00 0.00 176.95 176.55 1xbr s VAL 108 N 2.06 0.59 0.57 4.03 1.01 0.26 -4.95 120.40 123.98 1xbr s VAL 108 Ca 0.50 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 1xbr s VAL 108 Cb -0.20 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1xbr s VAL 108 CO 0.19 0.21 1.04 -2.16 0.00 0.00 0.00 175.10 174.38 1xbr s PRO 109 N 0.50 3.49 0.10 2.72 0.04 -1.26 -0.92 135.00 139.67 1xbr s PRO 109 Ca -0.07 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1xbr s PRO 109 Cb -0.11 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.45 1xbr s PRO 109 CO 0.00 -0.66 0.91 0.20 0.04 0.00 0.00 177.00 177.49 1xbr s GLY 110 N -2.93 -0.32 0.02 0.56 0.00 -0.96 -4.90 107.32 98.79 1xbr s GLY 110 Ca 0.62 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1xbr s GLY 110 CO 0.36 0.12 0.00 0.61 0.00 0.00 0.00 173.10 174.19 1xbr n GLY 111 N -0.39 -1.81 3.62 0.20 0.00 -1.26 -4.13 105.19 101.42 1xbr n GLY 111 Ca -0.07 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1xbr n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbr s LYS 112 N -0.27 3.74 0.26 1.61 3.01 -1.26 -4.97 119.74 121.86 1xbr s LYS 112 Ca 0.00 1.28 -0.30 0.00 -1.01 0.00 0.00 55.97 55.94 1xbr s LYS 112 Cb 0.00 -3.99 -0.10 0.00 -1.01 0.00 0.00 37.83 32.73 1xbr s LYS 112 CO 0.00 -1.35 1.49 -1.25 0.51 0.00 0.00 175.35 174.75 1xbr s PRO 113 N 4.64 4.22 0.03 -1.68 0.04 -1.26 -4.89 135.00 136.10 1xbr s PRO 113 Ca 0.64 2.39 0.04 0.00 0.04 0.00 0.00 61.00 64.10 1xbr s PRO 113 Cb -0.18 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1xbr s PRO 113 CO 0.28 -0.49 -0.11 -1.21 0.04 0.00 0.00 177.00 175.51 1xbr s GLU 114 N -0.38 0.76 0.29 4.56 2.02 0.09 -5.03 118.70 121.02 1xbr s GLU 114 Ca 0.61 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 1xbr s GLU 114 Cb -0.44 -0.71 -0.10 0.00 0.10 0.00 0.00 34.13 32.99 1xbr s GLU 114 CO 0.44 0.17 1.26 -2.14 0.02 0.00 0.00 175.26 175.02 1xbr s PRO 115 N -0.97 4.43 -0.14 0.39 0.02 -1.26 -4.49 135.00 132.98 1xbr s PRO 115 Ca -0.01 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.13 1xbr s PRO 115 Cb -0.07 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1xbr s PRO 115 CO 0.01 -0.11 -0.19 -1.14 -0.33 0.00 0.00 177.00 175.24 1xbr s GLN 116 N -1.38 2.67 0.47 5.54 0.74 -1.26 -5.10 119.66 121.33 1xbr s GLN 116 Ca 0.49 -0.72 -0.23 0.00 0.05 0.00 0.00 55.36 54.96 1xbr s GLN 116 Cb -0.37 -2.24 -0.07 0.00 1.10 0.00 0.00 33.01 31.42 1xbr s GLN 116 CO 0.47 -0.09 1.18 0.00 -0.55 0.00 0.00 175.29 176.30 1xbr s ALA 117 N 1.04 2.96 0.34 1.58 0.00 -1.26 -4.53 121.76 121.90 1xbr s ALA 117 Ca -0.03 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1xbr s ALA 117 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1xbr s ALA 117 CO -0.05 -0.71 1.37 -2.14 0.00 0.00 0.00 175.76 174.23 1xbr s PRO 118 N -2.71 4.27 1.19 0.00 0.02 -1.26 -4.71 135.00 131.80 1xbr s PRO 118 Ca 0.64 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.86 1xbr s PRO 118 Cb -0.30 -3.04 0.28 0.00 0.02 0.00 0.00 34.50 31.46 1xbr s PRO 118 CO 0.36 -0.31 0.89 -1.13 -0.33 0.00 0.00 177.00 176.47 1xbr n SER 119 N 0.82 -1.93 -4.77 2.53 3.41 0.05 -4.96 113.62 108.77 1xbr n SER 119 Ca 0.01 -0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.12 1xbr n SER 119 Cb 0.41 -1.21 0.09 0.00 -0.26 0.00 0.00 64.21 63.23 1xbr n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xbr s VAL 121 N -2.92 4.75 -0.22 0.00 0.11 -1.26 -4.59 120.40 116.26 1xbr s VAL 121 Ca 0.61 1.02 -0.03 0.00 -2.93 0.00 0.00 61.98 60.64 1xbr s VAL 121 Cb -0.17 -3.79 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1xbr s VAL 121 CO 0.56 0.25 -0.06 -0.47 -3.33 0.00 0.00 175.10 172.05 1xbr s TYR 122 N -1.46 2.94 -0.17 1.54 5.04 0.99 -4.95 117.35 121.28 1xbr s TYR 122 Ca 0.39 -1.00 -0.28 0.00 -2.44 0.00 0.00 57.07 53.74 1xbr s TYR 122 Cb -0.16 -2.09 -0.00 0.00 0.35 0.00 0.00 41.96 40.06 1xbr s TYR 122 CO 0.20 -0.57 0.96 0.42 -1.34 0.00 0.00 175.55 175.22 1xbr s ILE 123 N 1.45 4.78 0.18 3.14 1.01 -1.26 -0.92 121.20 129.58 1xbr s ILE 123 Ca 0.06 1.91 -0.32 0.00 0.00 0.00 0.00 60.65 62.30 1xbr s ILE 123 Cb -0.14 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 1xbr s ILE 123 CO -0.04 -0.06 1.74 1.57 0.00 0.00 0.00 174.94 178.16 1xbr n HIS 124 N 5.56 2.69 0.27 3.97 -0.00 -0.01 -4.84 115.22 122.86 1xbr n HIS 124 Ca 0.09 0.01 0.10 0.00 -0.00 0.00 0.00 57.72 57.92 1xbr n HIS 124 Cb 0.48 -2.68 0.55 0.00 -0.00 0.00 0.00 29.99 28.34 1xbr n HIS 124 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xbr h PRO 125 N 7.15 0.00 -0.01 1.57 0.13 -1.94 -1.06 132.00 137.84 1xbr h PRO 125 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xbr h PRO 125 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xbr h PRO 125 CO 0.95 0.00 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 1xbr n ASP 126 N -2.52 0.72 -4.81 1.44 9.92 -1.26 -4.90 116.55 115.13 1xbr n ASP 126 Ca -0.01 -1.23 -0.37 0.00 -0.53 0.00 0.00 54.79 52.65 1xbr n ASP 126 Cb 0.44 -0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.86 1xbr n ASP 126 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1xbr s SER 127 N -2.01 7.08 0.44 -2.24 0.01 -0.40 -3.93 113.70 112.65 1xbr s SER 127 Ca 0.43 1.40 -0.11 0.00 1.31 0.00 0.00 55.95 58.98 1xbr s SER 127 Cb 0.21 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.97 1xbr s SER 127 CO 0.36 0.09 0.82 -2.16 0.41 0.00 0.00 173.24 172.76 1xbr s PRO 128 N -1.77 3.77 0.17 12.44 0.04 -1.26 -5.04 135.00 143.34 1xbr s PRO 128 Ca 0.40 0.54 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1xbr s PRO 128 Cb -0.18 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1xbr s PRO 128 CO 0.21 -0.13 0.59 1.21 0.04 0.00 0.00 177.00 178.93 1xbr s ASN 129 N -3.31 -0.51 0.61 6.66 3.84 0.60 -4.94 114.94 117.89 1xbr s ASN 129 Ca 0.52 -0.08 -0.18 0.00 0.21 0.00 0.00 52.86 53.33 1xbr s ASN 129 Cb -0.10 0.60 -0.03 0.00 -0.55 0.00 0.00 41.25 41.17 1xbr s ASN 129 CO 0.34 -0.99 1.21 -0.36 -2.79 0.00 0.00 177.10 174.51 1xbr s PHE 130 N -3.77 2.34 0.23 0.43 0.08 -1.26 -0.23 117.98 115.80 1xbr s PHE 130 Ca 0.02 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 1xbr s PHE 130 Cb -0.01 -3.49 0.33 0.00 -0.57 0.00 0.00 43.02 39.27 1xbr s PHE 130 CO -0.11 -2.30 1.82 0.78 -0.10 0.00 0.00 175.22 175.30 1xbr h GLY 131 N 0.73 1.18 0.52 4.36 0.00 -0.86 -0.36 103.07 108.63 1xbr h GLY 131 Ca -0.50 -0.31 0.12 0.00 0.00 0.00 0.00 47.33 46.63 1xbr h GLY 131 CO 0.54 0.17 0.62 0.00 0.00 0.00 0.00 176.54 177.88 1xbr h ALA 132 N 1.41 1.56 -0.12 3.60 0.00 -1.23 -0.85 119.26 123.62 1xbr h ALA 132 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1xbr h ALA 132 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xbr h ALA 132 CO -0.21 0.20 -0.01 1.25 0.00 0.00 0.00 179.25 180.49 1xbr h HIS 133 N 0.96 0.24 0.00 0.00 6.17 -1.35 -1.33 115.15 119.84 1xbr h HIS 133 Ca 0.48 -0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.51 1xbr h HIS 133 Cb 0.49 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.35 1xbr h HIS 133 CO -0.00 0.48 -0.02 -1.49 0.71 0.00 0.00 177.93 177.61 1xbr h TRP 134 N -0.07 0.00 0.00 5.26 4.06 -0.59 -2.72 115.95 121.90 1xbr h TRP 134 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1xbr h TRP 134 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1xbr h TRP 134 CO 0.04 0.02 -1.29 -1.33 -3.56 0.00 0.00 178.44 172.31 1xbr n MET 135 N -4.17 0.30 0.24 0.49 2.81 -0.42 -4.41 117.12 111.96 1xbr n MET 135 Ca -0.03 -0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.71 1xbr n MET 135 Cb 0.10 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.02 1xbr n MET 135 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xbr h LYS 136 N 0.00 -0.60 -6.33 0.03 3.64 -0.90 -3.46 116.57 108.96 1xbr h LYS 136 Ca 0.00 0.04 -0.60 0.00 -1.27 0.00 0.00 60.65 58.82 1xbr h LYS 136 Cb 0.73 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.55 1xbr h LYS 136 CO 0.00 -0.40 -0.72 -0.51 -2.27 0.00 0.00 179.45 175.55 1xbr s ASP 137 N -2.91 4.06 0.43 4.20 1.01 -1.26 -5.10 116.67 117.10 1xbr s ASP 137 Ca -0.09 -0.76 -0.26 0.00 0.71 0.00 0.00 52.55 52.15 1xbr s ASP 137 Cb 0.01 -0.59 -0.09 0.00 1.01 0.00 0.00 42.92 43.26 1xbr s ASP 137 CO 0.27 0.06 1.34 -2.65 0.21 0.00 0.00 175.17 174.39 1xbr n PRO 138 N -0.41 2.08 -2.98 8.23 -0.02 -1.26 -4.87 135.00 135.77 1xbr n PRO 138 Ca -0.08 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1xbr n PRO 138 Cb 0.58 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1xbr n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xbr s VAL 139 N -1.19 4.82 -0.09 -1.45 1.01 0.12 -4.90 120.40 118.72 1xbr s VAL 139 Ca 0.61 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1xbr s VAL 139 Cb -0.49 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 1xbr s VAL 139 CO 0.58 -0.24 -0.13 -0.55 0.00 0.00 0.00 175.10 174.76 1xbr s SER 140 N 1.64 4.04 -0.77 3.32 0.15 -1.26 -0.88 113.70 119.93 1xbr s SER 140 Ca 0.31 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 1xbr s SER 140 Cb -0.14 -1.24 0.36 0.00 -1.71 0.00 0.00 66.02 63.29 1xbr s SER 140 CO 0.13 0.26 1.77 0.49 1.20 0.00 0.00 173.24 177.08 1xbr n PHE 141 N 2.91 3.09 0.47 3.44 3.01 0.14 -4.79 117.46 125.73 1xbr n PHE 141 Ca -0.18 -2.58 0.12 0.00 1.01 0.00 0.00 57.45 55.82 1xbr n PHE 141 Cb 0.52 -0.93 0.47 0.00 -0.01 0.00 0.00 39.48 39.53 1xbr n PHE 141 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xbr n SER 142 N -0.46 0.65 -0.26 4.37 3.41 -1.26 -3.30 113.62 116.77 1xbr n SER 142 Ca 0.49 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.83 1xbr n SER 142 Cb 0.33 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1xbr n SER 142 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xbr n LYS 143 N -2.19 1.16 -2.04 4.33 4.76 -1.26 -4.82 118.16 118.10 1xbr n LYS 143 Ca 0.03 -0.55 -0.41 0.00 -2.87 0.00 0.00 58.31 54.51 1xbr n LYS 143 Cb 0.28 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1xbr n LYS 143 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1xbr s VAL 144 N -2.46 2.65 -0.10 -0.18 0.11 -1.21 -5.01 120.40 114.20 1xbr s VAL 144 Ca 0.13 0.59 0.01 0.00 -2.93 0.00 0.00 61.98 59.77 1xbr s VAL 144 Cb 0.15 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1xbr s VAL 144 CO 0.61 0.11 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.83 1xbr s LYS 145 N -0.99 3.06 -0.14 1.54 -0.14 -1.26 -4.20 119.74 117.61 1xbr s LYS 145 Ca 0.55 -0.67 -0.05 0.00 -1.36 0.00 0.00 55.97 54.44 1xbr s LYS 145 Cb -0.41 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 1xbr s LYS 145 CO 0.48 0.39 0.06 -0.51 -0.76 0.00 0.00 175.35 175.00 1xbr s LEU 146 N -0.09 3.84 0.20 3.17 1.43 0.80 -0.81 118.68 127.22 1xbr s LEU 146 Ca -0.01 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1xbr s LEU 146 Cb -0.14 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1xbr s LEU 146 CO 0.03 0.29 0.16 0.28 0.23 0.00 0.00 176.35 177.34 1xbr s THR 147 N -0.31 0.00 -0.43 5.49 -1.32 0.15 -0.15 115.64 119.07 1xbr s THR 147 Ca 0.08 -1.95 0.05 0.00 -1.21 0.00 0.00 61.69 58.66 1xbr s THR 147 Cb -0.12 -2.47 0.14 0.00 -1.51 0.00 0.00 72.50 68.54 1xbr s THR 147 CO 0.02 -0.01 1.10 -0.46 -2.21 0.00 0.00 174.62 173.06 1xbr n ASN 148 N -0.28 2.38 -4.66 8.08 0.23 -1.22 -0.70 115.26 119.10 1xbr n ASN 148 Ca 0.02 -1.97 -0.23 0.00 -0.53 0.00 0.00 54.58 51.87 1xbr n ASN 148 Cb 0.66 -0.10 -0.07 0.00 -2.08 0.00 0.00 39.78 38.18 1xbr n ASN 148 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xbr s LYS 149 N -0.98 2.28 -0.67 -3.83 -0.14 -1.26 -4.89 119.74 110.24 1xbr s LYS 149 Ca 0.10 -1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 53.18 1xbr s LYS 149 Cb 0.05 -2.13 0.30 0.00 -1.68 0.00 0.00 37.83 34.37 1xbr s LYS 149 CO 0.07 0.26 2.20 -1.33 -0.76 0.00 0.00 175.35 175.79 1xbr n MET 150 N -0.97 2.57 -2.78 1.68 2.81 -1.26 -4.64 117.12 114.53 1xbr n MET 150 Ca -0.05 -3.03 -0.43 0.00 -1.81 0.00 0.00 57.70 52.38 1xbr n MET 150 Cb 0.60 -2.19 -0.04 0.00 -0.71 0.00 0.00 33.22 30.89 1xbr n MET 150 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1xbr s ASN 151 N -0.81 6.57 -0.97 7.83 2.20 -1.26 -4.94 114.94 123.56 1xbr s ASN 151 Ca 0.55 0.30 -0.21 0.00 -0.94 0.00 0.00 52.86 52.56 1xbr s ASN 151 Cb 0.43 -2.47 -0.10 0.00 -2.00 0.00 0.00 41.25 37.10 1xbr s ASN 151 CO -0.25 -1.03 1.96 0.61 -2.94 0.00 0.00 177.10 175.46 1xbr n GLY 152 N 4.76 2.60 0.07 0.45 0.00 -1.26 -4.37 105.19 107.44 1xbr n GLY 152 Ca 0.07 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.94 1xbr n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbr n GLY 153 N 4.71 4.48 1.54 -0.02 0.00 -1.26 -4.93 105.19 109.71 1xbr n GLY 153 Ca 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xbr n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbr n GLY 154 N -1.26 0.58 3.88 -0.02 0.00 -1.26 -5.04 105.19 102.06 1xbr n GLY 154 Ca 0.13 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1xbr n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xbr s GLN 155 N -0.78 3.48 -0.27 1.61 -0.21 -1.26 -4.73 119.66 117.50 1xbr s GLN 155 Ca 0.00 -0.10 -0.27 0.00 0.02 0.00 0.00 55.36 55.01 1xbr s GLN 155 Cb 0.00 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.84 1xbr s GLN 155 CO 0.00 0.76 0.97 0.42 -2.12 0.00 0.00 175.29 175.32 1xbr s ILE 156 N -1.07 4.68 0.05 1.08 -1.09 0.01 -4.88 121.20 119.98 1xbr s ILE 156 Ca 0.17 1.71 -0.25 0.00 -2.23 0.00 0.00 60.65 60.05 1xbr s ILE 156 Cb -0.12 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1xbr s ILE 156 CO 0.06 -0.26 0.76 -0.32 -1.23 0.00 0.00 174.94 173.95 1xbr s MET 157 N 3.23 4.49 0.09 2.79 1.75 -1.26 -0.67 119.30 129.72 1xbr s MET 157 Ca 0.41 1.06 0.02 0.00 -1.25 0.00 0.00 55.69 55.92 1xbr s MET 157 Cb -0.14 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 1xbr s MET 157 CO 0.10 0.29 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.18 1xbr s LEU 158 N -0.07 2.48 -0.24 4.11 1.43 0.12 -4.69 118.68 121.82 1xbr s LEU 158 Ca 0.38 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1xbr s LEU 158 Cb -0.20 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 1xbr s LEU 158 CO 0.23 -0.44 0.15 0.20 0.23 0.00 0.00 176.35 176.73 1xbr s ASN 159 N -2.87 6.04 0.79 2.29 0.01 -1.26 -4.28 114.94 115.66 1xbr s ASN 159 Ca 0.09 0.09 -0.12 0.00 -0.71 0.00 0.00 52.86 52.21 1xbr s ASN 159 Cb 0.03 -2.09 0.07 0.00 0.41 0.00 0.00 41.25 39.68 1xbr s ASN 159 CO -0.04 0.06 1.13 -0.94 -1.51 0.00 0.00 177.10 175.79 1xbr s SER 160 N 1.11 4.05 -1.11 -1.22 1.04 -1.26 -3.40 113.70 112.90 1xbr s SER 160 Ca 0.07 2.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.53 1xbr s SER 160 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1xbr s SER 160 CO 0.05 -2.34 0.19 0.18 0.98 0.00 0.00 173.24 172.29 1xbr n LEU 161 N -3.48 -1.94 -3.90 2.42 4.77 0.13 -4.94 117.00 110.06 1xbr n LEU 161 Ca 0.11 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1xbr n LEU 161 Cb 0.52 -2.13 -0.14 0.00 -2.33 0.00 0.00 43.42 39.35 1xbr n LEU 161 CO 0.50 -0.01 -0.37 -1.00 -1.33 0.00 0.00 177.39 175.19 1xbr s HIS 162 N -2.81 0.12 0.26 -1.77 3.76 -1.22 -0.48 115.29 113.15 1xbr s HIS 162 Ca 0.09 -0.06 -0.22 0.00 -0.15 0.00 0.00 55.06 54.72 1xbr s HIS 162 Cb -0.04 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.49 1xbr s HIS 162 CO 0.11 -0.02 0.81 0.15 -0.85 0.00 0.00 174.74 174.95 1xbr s LYS 163 N -0.14 4.39 0.07 1.40 1.02 -1.26 -1.96 119.74 123.25 1xbr s LYS 163 Ca -0.01 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.04 1xbr s LYS 163 Cb -0.01 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1xbr s LYS 163 CO -0.00 0.35 -0.05 0.71 -0.92 0.00 0.00 175.35 175.44 1xbr s TYR 164 N -1.56 0.68 -0.08 3.18 2.02 -0.33 -1.08 117.35 120.18 1xbr s TYR 164 Ca 0.46 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1xbr s TYR 164 Cb -0.17 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 1xbr s TYR 164 CO 0.22 -0.22 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.98 1xbr s GLU 165 N -3.31 0.72 0.58 -0.62 2.12 -0.10 -2.04 118.70 116.05 1xbr s GLU 165 Ca 0.04 0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.22 1xbr s GLU 165 Cb 0.02 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.31 1xbr s GLU 165 CO -0.05 -0.31 1.32 -2.14 -0.54 0.00 0.00 175.26 173.54 1xbr s PRO 166 N 1.94 2.98 -0.06 4.30 0.02 -1.26 -1.44 135.00 141.47 1xbr s PRO 166 Ca 0.05 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.17 1xbr s PRO 166 Cb -0.12 -2.11 0.04 0.00 0.02 0.00 0.00 34.50 32.32 1xbr s PRO 166 CO -0.06 -1.28 0.14 0.50 -0.33 0.00 0.00 177.00 175.98 1xbr s ARG 167 N -3.07 0.09 -0.10 5.54 3.52 0.52 -3.99 118.95 121.46 1xbr s ARG 167 Ca 0.75 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 56.68 1xbr s ARG 167 Cb -0.38 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 32.80 1xbr s ARG 167 CO 0.43 -0.16 0.04 0.42 -0.81 0.00 0.00 175.30 175.22 1xbr s ILE 168 N 1.15 4.64 -0.07 4.11 1.01 -0.84 -1.26 121.20 129.94 1xbr s ILE 168 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1xbr s ILE 168 Cb -0.11 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1xbr s ILE 168 CO -0.06 0.60 -0.14 -1.00 0.00 0.00 0.00 174.94 174.34 1xbr s HIS 169 N -0.82 1.62 -0.33 3.97 3.76 0.12 -1.75 115.29 121.86 1xbr s HIS 169 Ca 0.13 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.34 1xbr s HIS 169 Cb -0.12 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.42 1xbr s HIS 169 CO 0.03 -0.31 0.12 0.42 -0.85 0.00 0.00 174.74 174.15 1xbr s ILE 170 N 0.64 4.11 -0.20 0.60 1.01 -0.24 -0.32 121.20 126.81 1xbr s ILE 170 Ca -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1xbr s ILE 170 Cb -0.16 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1xbr s ILE 170 CO 0.04 -0.06 -0.04 -0.69 0.00 0.00 0.00 174.94 174.20 1xbr s VAL 171 N 1.50 3.59 0.19 2.92 1.01 0.07 -1.59 120.40 128.09 1xbr s VAL 171 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1xbr s VAL 171 Cb -0.18 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1xbr s VAL 171 CO 0.04 0.44 1.37 -0.60 0.00 0.00 0.00 175.10 176.35 1xbr s ARG 172 N 1.09 4.34 -0.11 2.72 6.06 -0.76 -0.98 118.95 131.30 1xbr s ARG 172 Ca 0.01 2.12 -0.03 0.00 -2.50 0.00 0.00 55.73 55.33 1xbr s ARG 172 Cb -0.15 -3.19 -0.03 0.00 0.06 0.00 0.00 34.95 31.64 1xbr s ARG 172 CO 0.00 -0.35 0.01 0.08 -2.50 0.00 0.00 175.30 172.54 1xbr s VAL 173 N 0.38 4.34 0.00 7.11 1.01 0.14 -4.79 120.40 128.60 1xbr s VAL 173 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1xbr s VAL 173 Cb -0.38 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1xbr s VAL 173 CO 0.37 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.64 1xbr n GLY 174 N 2.60 -1.16 1.77 4.51 0.00 -1.26 -4.33 105.19 107.32 1xbr n GLY 174 Ca -0.18 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.29 1xbr n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbr n GLY 175 N -1.10 -2.08 0.17 -0.02 0.00 -1.26 -4.65 105.19 96.25 1xbr n GLY 175 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.65 1xbr n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xbr n THR 176 N -1.69 0.00 -3.89 2.61 -2.24 -1.26 -4.99 114.28 102.81 1xbr n THR 176 Ca 0.00 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1xbr n THR 176 Cb 0.16 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1xbr n THR 176 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xbr s GLN 177 N -0.95 3.43 0.06 -0.78 -0.21 -1.26 -5.10 119.66 114.85 1xbr s GLN 177 Ca 0.06 -0.17 -0.10 0.00 0.02 0.00 0.00 55.36 55.18 1xbr s GLN 177 Cb 0.05 -3.17 -0.06 0.00 1.00 0.00 0.00 33.01 30.84 1xbr s GLN 177 CO 0.15 0.76 0.37 1.03 -2.12 0.00 0.00 175.29 175.48 1xbr s ARG 178 N -1.17 3.74 -0.21 2.91 1.81 -1.26 -4.98 118.95 119.78 1xbr s ARG 178 Ca 0.17 0.15 -0.05 0.00 -1.72 0.00 0.00 55.73 54.27 1xbr s ARG 178 Cb -0.12 -3.03 0.10 0.00 -0.45 0.00 0.00 34.95 31.45 1xbr s ARG 178 CO 0.06 0.59 0.39 -1.64 -0.68 0.00 0.00 175.30 174.03 1xbr s MET 179 N -1.80 0.32 -0.02 3.54 -1.94 -1.26 -5.07 119.30 113.06 1xbr s MET 179 Ca 0.31 0.84 -0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1xbr s MET 179 Cb -0.14 0.03 0.03 0.00 2.01 0.00 0.00 34.83 36.76 1xbr s MET 179 CO 0.17 -0.39 0.04 0.42 -0.01 0.00 0.00 175.02 175.25 1xbr s ILE 180 N 2.58 -0.06 -0.00 2.53 1.01 -1.26 -1.84 121.20 124.15 1xbr s ILE 180 Ca 0.04 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1xbr s ILE 180 Cb -0.13 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 1xbr s ILE 180 CO -0.14 0.10 -0.25 -0.89 0.00 0.00 0.00 174.94 173.76 1xbr s THR 181 N 1.16 1.98 0.09 2.92 2.01 -0.62 -4.97 115.64 118.21 1xbr s THR 181 Ca -0.08 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 60.86 1xbr s THR 181 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1xbr s THR 181 CO -0.03 0.49 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.75 1xbr s SER 182 N -0.76 2.50 -0.17 3.53 0.01 -1.26 -1.08 113.70 116.47 1xbr s SER 182 Ca 0.10 -0.64 -0.09 0.00 1.31 0.00 0.00 55.95 56.63 1xbr s SER 182 Cb -0.10 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.04 1xbr s SER 182 CO -0.00 0.08 0.40 -2.28 0.41 0.00 0.00 173.24 171.85 1xbr s HIS 183 N -1.06 -0.62 0.15 2.43 2.46 -0.72 -5.00 115.29 112.93 1xbr s HIS 183 Ca 0.07 1.30 0.08 0.00 0.47 0.00 0.00 55.06 56.97 1xbr s HIS 183 Cb -0.10 0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.57 1xbr s HIS 183 CO 0.04 -0.36 -0.10 -1.12 -2.47 0.00 0.00 174.74 170.73 1xbr s SER 184 N 1.59 4.29 -0.21 9.88 0.01 -1.26 -1.99 113.70 126.00 1xbr s SER 184 Ca -0.08 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1xbr s SER 184 Cb -0.09 -0.75 0.04 0.00 0.21 0.00 0.00 66.02 65.43 1xbr s SER 184 CO -0.13 0.13 -0.11 -0.36 0.41 0.00 0.00 173.24 173.18 1xbr s PHE 185 N -1.50 2.65 0.37 2.43 0.40 -1.26 -5.01 117.98 116.07 1xbr s PHE 185 Ca 0.23 -1.77 0.06 0.00 -0.60 0.00 0.00 56.93 54.85 1xbr s PHE 185 Cb -0.10 -1.74 0.76 0.00 0.51 0.00 0.00 43.02 42.46 1xbr s PHE 185 CO 0.14 -0.78 1.98 -1.35 0.70 0.00 0.00 175.22 175.91 1xbr h PRO 186 N 7.92 0.70 0.00 0.24 0.11 -2.00 -1.96 132.00 137.01 1xbr h PRO 186 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xbr h PRO 186 Cb 1.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xbr h PRO 186 CO 0.49 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 1xbr n GLU 187 N -4.47 0.04 -0.20 1.05 -0.58 -1.26 -2.32 120.64 112.90 1xbr n GLU 187 Ca 0.09 0.26 0.12 0.00 -0.42 0.00 0.00 57.16 57.21 1xbr n GLU 187 Cb 0.20 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.81 1xbr n GLU 187 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1xbr n THR 188 N -1.45 0.53 -1.82 2.62 -2.24 -0.74 -4.49 114.28 106.69 1xbr n THR 188 Ca 0.04 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 1xbr n THR 188 Cb 0.14 0.87 0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1xbr n THR 188 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xbr s GLN 189 N -1.47 3.36 0.21 -0.78 -0.21 -0.98 -4.56 119.66 115.23 1xbr s GLN 189 Ca 0.39 2.26 -0.17 0.00 0.02 0.00 0.00 55.36 57.86 1xbr s GLN 189 Cb 0.23 -2.39 0.02 0.00 1.00 0.00 0.00 33.01 31.86 1xbr s GLN 189 CO 0.31 -1.03 0.54 -0.59 -2.12 0.00 0.00 175.29 172.41 1xbr s PHE 190 N -1.29 -0.04 -0.20 0.91 -0.12 -0.87 -4.34 117.98 112.03 1xbr s PHE 190 Ca 0.68 -0.32 -0.05 0.00 -0.05 0.00 0.00 56.93 57.19 1xbr s PHE 190 Cb -0.41 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1xbr s PHE 190 CO 0.49 -0.97 -0.01 0.42 -0.05 0.00 0.00 175.22 175.10 1xbr s ILE 191 N -3.90 3.79 0.18 -4.49 1.01 -0.10 -1.19 121.20 116.50 1xbr s ILE 191 Ca 0.12 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 1xbr s ILE 191 Cb -0.02 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 1xbr s ILE 191 CO 0.00 0.43 1.41 0.00 0.00 0.00 0.00 174.94 176.78 1xbr s ALA 192 N 1.11 3.62 0.05 9.38 0.00 -0.83 -1.65 121.76 133.44 1xbr s ALA 192 Ca 0.02 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1xbr s ALA 192 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1xbr s ALA 192 CO 0.01 -0.66 0.00 0.14 0.00 0.00 0.00 175.76 175.26 1xbr s VAL 193 N 0.55 0.20 -1.92 0.00 -7.23 0.62 0.17 120.40 112.79 1xbr s VAL 193 Ca 0.62 -1.62 0.21 0.00 -1.81 0.00 0.00 61.98 59.38 1xbr s VAL 193 Cb -0.39 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1xbr s VAL 193 CO 0.36 -0.90 1.04 0.35 -0.31 0.00 0.00 175.10 175.64 1xbr n THR 194 N 0.25 0.00 -3.62 5.32 -2.24 -1.26 -0.81 114.28 111.91 1xbr n THR 194 Ca -0.15 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.33 1xbr n THR 194 Cb 0.61 1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 70.02 1xbr n THR 194 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbr s ALA 195 N -2.36 -2.28 0.65 6.98 0.00 -1.26 -4.88 121.76 118.61 1xbr s ALA 195 Ca 0.17 2.21 -0.17 0.00 0.00 0.00 0.00 51.96 54.17 1xbr s ALA 195 Cb 0.17 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1xbr s ALA 195 CO 0.54 -0.41 0.91 0.66 0.00 0.00 0.00 175.76 177.46 1xbr n TYR 196 N 3.89 0.58 -0.01 0.00 4.01 -1.26 -4.96 117.16 119.42 1xbr n TYR 196 Ca -0.18 0.42 -0.02 0.00 -0.16 0.00 0.00 57.90 57.95 1xbr n TYR 196 Cb 0.57 -2.10 -0.01 0.00 -0.31 0.00 0.00 39.34 37.50 1xbr n TYR 196 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1xbr n GLN 197 N -1.22 0.05 -3.02 -0.72 1.13 -1.26 -4.97 117.38 107.36 1xbr n GLN 197 Ca 0.13 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 1xbr n GLN 197 Cb 0.48 -0.65 -0.06 0.00 0.11 0.00 0.00 30.24 30.12 1xbr n GLN 197 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1xbr s ASN 198 N -5.07 6.45 0.00 1.08 2.47 -1.26 -4.92 114.94 113.69 1xbr s ASN 198 Ca -0.03 0.08 0.11 0.00 0.42 0.00 0.00 52.86 53.43 1xbr s ASN 198 Cb 0.01 -2.36 0.52 0.00 -1.45 0.00 0.00 41.25 37.97 1xbr s ASN 198 CO 0.04 -0.75 1.27 -1.84 -3.72 0.00 0.00 177.10 172.10 1xbr n GLU 199 N 6.37 0.11 0.08 0.43 0.28 -1.26 -1.35 120.64 125.30 1xbr n GLU 199 Ca 0.01 0.22 -0.09 0.00 -0.16 0.00 0.00 57.16 57.15 1xbr n GLU 199 Cb 0.48 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.78 1xbr n GLU 199 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1xbr h GLU 200 N 0.00 0.11 0.02 3.44 4.81 -1.99 -2.58 114.58 118.39 1xbr h GLU 200 Ca 0.00 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1xbr h GLU 200 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xbr h GLU 200 CO 0.00 1.01 -0.01 0.97 -0.73 0.00 0.00 179.01 180.25 1xbr h ILE 201 N 0.04 1.44 -0.97 2.32 6.09 -1.59 -2.67 117.51 122.17 1xbr h ILE 201 Ca -0.04 -1.52 0.22 0.00 -1.37 0.00 0.00 64.86 62.15 1xbr h ILE 201 Cb 1.70 2.45 -0.08 0.00 0.47 0.00 0.00 36.82 41.36 1xbr h ILE 201 CO 0.14 0.38 0.63 0.74 -3.07 0.00 0.00 178.15 176.97 1xbr h THR 202 N -0.70 0.63 -0.04 2.19 2.02 -1.57 0.61 112.91 116.05 1xbr h THR 202 Ca -0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1xbr h THR 202 Cb 0.65 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xbr h THR 202 CO 0.00 0.08 -0.58 0.00 0.37 0.00 0.00 175.52 175.40 1xbr h ALA 203 N 1.61 0.96 -0.05 6.16 0.00 -1.39 -0.98 119.26 125.57 1xbr h ALA 203 Ca 0.53 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1xbr h ALA 203 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xbr h ALA 203 CO -0.25 0.71 -0.82 -0.07 0.00 0.00 0.00 179.25 178.83 1xbr h LEU 204 N 0.10 0.52 0.46 0.00 3.38 0.45 -1.60 115.31 118.62 1xbr h LEU 204 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1xbr h LEU 204 Cb 1.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xbr h LEU 204 CO 0.08 1.14 -0.22 0.11 0.09 0.00 0.00 178.44 179.65 1xbr h LYS 205 N 0.27 -0.59 -0.67 1.13 1.79 -0.65 -2.31 116.57 115.53 1xbr h LYS 205 Ca -0.05 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 1xbr h LYS 205 Cb 1.43 0.13 -0.07 0.00 -1.58 0.00 0.00 32.23 32.14 1xbr h LYS 205 CO 0.14 -0.29 0.31 0.82 -1.08 0.00 0.00 179.45 179.35 1xbr h ILE 206 N -0.86 0.82 0.00 1.86 2.04 -1.23 0.21 117.51 120.36 1xbr h ILE 206 Ca -0.06 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1xbr h ILE 206 Cb 0.57 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1xbr h ILE 206 CO 0.10 0.10 -0.12 0.50 0.00 0.00 0.00 178.15 178.73 1xbr h LYS 207 N 0.53 0.00 0.00 2.37 3.64 -1.28 -3.36 116.57 118.47 1xbr h LYS 207 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1xbr h LYS 207 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1xbr h LYS 207 CO -0.28 0.12 -1.20 0.72 -2.27 0.00 0.00 179.45 176.55 1xbr n HIS 208 N -3.27 0.00 -3.31 1.91 8.25 -0.63 -4.96 115.22 113.21 1xbr n HIS 208 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1xbr n HIS 208 Cb 0.38 -0.15 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 1xbr n HIS 208 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xbr s ASN 209 N -2.69 6.38 0.26 0.41 3.84 0.66 -4.97 114.94 118.83 1xbr s ASN 209 Ca -0.02 0.45 -0.01 0.00 0.21 0.00 0.00 52.86 53.49 1xbr s ASN 209 Cb 0.05 -2.25 0.51 0.00 -0.55 0.00 0.00 41.25 39.01 1xbr s ASN 209 CO 0.31 -0.22 1.78 -0.65 -2.79 0.00 0.00 177.10 175.53 1xbr h PRO 210 N 7.94 0.67 0.00 0.43 0.11 -1.89 -0.59 132.00 138.68 1xbr h PRO 210 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xbr h PRO 210 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xbr h PRO 210 CO 0.69 0.45 0.00 1.19 -0.21 0.00 0.00 178.00 180.12 1xbr n PHE 211 N -4.82 0.00 -1.03 0.65 3.72 -1.26 -1.35 117.46 113.36 1xbr n PHE 211 Ca 0.17 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.63 1xbr n PHE 211 Cb 0.40 -0.38 0.27 0.00 -0.94 0.00 0.00 39.48 38.83 1xbr n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xbr n ALA 212 N -1.38 3.24 -0.29 4.37 0.00 -0.23 -4.68 120.51 121.54 1xbr n ALA 212 Ca 0.03 -2.36 -0.01 0.00 0.00 0.00 0.00 53.44 51.10 1xbr n ALA 212 Cb 0.08 -0.77 0.18 0.00 0.00 0.00 0.00 19.45 18.94 1xbr n ALA 212 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xbr h LYS 213 N 1.91 1.15 -0.70 0.00 1.63 -1.29 -2.67 116.57 116.61 1xbr h LYS 213 Ca 0.03 -0.08 0.15 0.00 -0.85 0.00 0.00 60.65 59.91 1xbr h LYS 213 Cb 1.55 -0.26 -0.12 0.00 -0.60 0.00 0.00 32.23 32.80 1xbr h LYS 213 CO 0.28 0.77 -0.00 0.00 -3.45 0.00 0.00 179.45 177.05 1xbr h ALA 214 N 1.44 0.70 -0.27 5.00 0.00 -1.84 0.31 119.26 124.59 1xbr h ALA 214 Ca 0.32 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 1xbr h ALA 214 Cb -0.12 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xbr h ALA 214 CO -0.07 -0.41 -0.45 0.74 0.00 0.00 0.00 179.25 179.06 1xbr h PHE 215 N 0.11 0.86 -0.09 0.00 0.04 -1.86 -1.77 116.94 114.22 1xbr h PHE 215 Ca 0.37 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1xbr h PHE 215 Cb 0.63 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 1xbr h PHE 215 CO -0.40 1.03 -0.00 1.25 -0.60 0.00 0.00 178.31 179.59 1xbr h LEU 216 N 0.56 0.16 -0.71 1.54 5.85 -0.88 -2.78 115.31 119.06 1xbr h LEU 216 Ca 0.03 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.55 1xbr h LEU 216 Cb 1.01 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1xbr h LEU 216 CO 0.09 0.43 0.32 0.44 -0.34 0.00 0.00 178.44 179.39 1xbr h ASP 217 N -0.11 0.38 -0.97 1.25 3.32 -0.46 0.19 116.42 120.02 1xbr h ASP 217 Ca 0.03 0.08 0.17 0.00 0.02 0.00 0.00 57.03 57.33 1xbr h ASP 217 Cb 0.35 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.83 1xbr h ASP 217 CO 0.00 0.20 0.61 0.00 -1.72 0.00 0.00 179.24 178.33 1xbr h ALA 218 N 1.46 1.79 0.02 3.45 0.00 -1.06 -2.28 119.26 122.64 1xbr h ALA 218 Ca 0.36 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 1xbr h ALA 218 Cb 0.44 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xbr h ALA 218 CO -0.31 -0.11 -0.60 0.87 0.00 0.00 0.00 179.25 179.11 1xbr h LYS 219 N 0.71 0.37 0.00 0.00 1.57 -0.76 -2.64 116.57 115.82 1xbr h LYS 219 Ca 0.52 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xbr h LYS 219 Cb 0.86 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1xbr h LYS 219 CO -0.29 1.11 0.00 0.39 -0.57 0.00 0.00 179.45 180.09 1xbr n GLU 220 N -4.23 0.04 0.00 3.15 1.02 -0.58 -2.81 120.64 117.23 1xbr n GLU 220 Ca -0.11 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1xbr n GLU 220 Cb 0.68 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1xbr n GLU 220 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1xbr n ARG 221 N -1.28 3.31 0.00 3.49 1.85 -1.13 -5.09 116.66 117.81 1xbr n ARG 221 Ca 0.01 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 57.01 1xbr n ARG 221 Cb 0.02 -0.96 0.59 0.00 -1.05 0.00 0.00 32.46 31.06 1xbr n ARG 221 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89