#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4k h PRO 11 N 0.00 0.00 -0.20 2.98 0.13 -2.11 -3.43 132.00 129.37 1b4k h PRO 11 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1b4k h PRO 11 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1b4k h PRO 11 CO 0.00 0.35 -0.02 1.88 -0.23 0.00 0.00 178.00 179.98 1b4k h TYR 12 N 0.00 -0.05 -3.37 1.56 -1.99 -2.11 -3.34 116.97 107.66 1b4k h TYR 12 Ca -0.00 0.02 -0.74 0.00 2.00 0.00 0.00 58.73 60.01 1b4k h TYR 12 Cb 0.63 0.06 -0.29 0.00 2.00 0.00 0.00 36.73 39.12 1b4k h TYR 12 CO 0.00 -0.06 -0.30 0.99 -0.00 0.00 0.00 178.16 178.79 1b4k s THR 13 N -6.20 4.46 -0.34 -2.88 2.01 -1.26 -5.02 115.64 106.42 1b4k s THR 13 Ca -0.13 -1.99 -0.08 0.00 0.31 0.00 0.00 61.69 59.80 1b4k s THR 13 Cb 0.10 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1b4k s THR 13 CO 0.69 -0.84 0.12 -0.13 -0.69 0.00 0.00 174.62 173.77 1b4k s ARG 14 N 1.05 2.74 0.08 4.92 0.52 -1.26 0.77 118.95 127.78 1b4k s ARG 14 Ca 0.08 -1.10 0.20 0.00 -0.52 0.00 0.00 55.73 54.39 1b4k s ARG 14 Cb -0.24 -3.51 0.82 0.00 0.52 0.00 0.00 34.95 32.54 1b4k s ARG 14 CO -0.02 -0.64 1.62 1.28 0.02 0.00 0.00 175.30 177.56 1b4k n LEU 15 N 4.86 0.23 0.26 2.53 4.77 -1.26 -1.74 117.00 126.65 1b4k n LEU 15 Ca -0.13 0.55 0.15 0.00 -0.03 0.00 0.00 56.01 56.55 1b4k n LEU 15 Cb 0.45 -0.51 0.58 0.00 -2.33 0.00 0.00 43.42 41.62 1b4k n LEU 15 CO 0.33 -0.29 0.93 0.03 -1.33 0.00 0.00 177.39 177.05 1b4k h ARG 16 N 0.00 0.00 -0.09 3.23 3.08 -1.98 -3.31 114.38 115.30 1b4k h ARG 16 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1b4k h ARG 16 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1b4k h ARG 16 CO 0.00 0.07 0.01 0.00 -1.07 0.00 0.00 179.97 178.98 1b4k h ARG 17 N 0.00 0.04 0.00 0.04 3.08 -1.77 -1.51 114.38 114.27 1b4k h ARG 17 Ca -0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1b4k h ARG 17 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1b4k h ARG 17 CO 0.01 0.03 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.85 1b4k h ASN 18 N 0.04 0.00 1.37 7.04 2.35 -1.80 -1.92 115.58 122.67 1b4k h ASN 18 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1b4k h ASN 18 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1b4k h ASN 18 CO -0.06 0.17 0.00 0.03 -1.65 0.00 0.00 177.43 175.92 1b4k h ARG 19 N 0.00 0.00 -0.58 0.81 3.08 -1.47 -2.98 114.38 113.25 1b4k h ARG 19 Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1b4k h ARG 19 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 1b4k h ARG 19 CO 0.02 0.00 0.13 -0.09 -1.07 0.00 0.00 179.97 178.96 1b4k h ARG 20 N 0.00 0.26 -6.24 0.04 9.65 -0.46 -3.44 114.38 114.19 1b4k h ARG 20 Ca 0.00 -0.02 -0.58 0.00 -1.10 0.00 0.00 59.98 58.29 1b4k h ARG 20 Cb 0.69 -0.06 -0.20 0.00 -1.39 0.00 0.00 29.97 29.01 1b4k h ARG 20 CO 0.00 0.17 -0.81 -0.51 2.80 0.00 0.00 179.97 181.62 1b4k s ASP 21 N -5.31 2.86 0.24 -3.80 1.01 -1.26 -5.05 116.67 105.37 1b4k s ASP 21 Ca -0.13 -0.80 -0.05 0.00 0.71 0.00 0.00 52.55 52.27 1b4k s ASP 21 Cb 0.17 -0.18 0.32 0.00 1.01 0.00 0.00 42.92 44.24 1b4k s ASP 21 CO 0.74 0.05 1.87 -0.78 0.21 0.00 0.00 175.17 177.25 1b4k h ASP 22 N 3.54 0.90 -0.61 0.27 3.58 -1.92 -1.47 116.42 120.72 1b4k h ASP 22 Ca -0.45 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 56.97 1b4k h ASP 22 Cb 1.20 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 1b4k h ASP 22 CO 0.46 0.59 0.26 2.19 -2.88 0.00 0.00 179.24 179.85 1b4k h PHE 23 N 1.04 0.94 0.02 0.28 -5.15 -1.96 -0.98 116.94 111.13 1b4k h PHE 23 Ca 0.37 -0.06 -0.22 0.00 -0.20 0.00 0.00 57.97 57.87 1b4k h PHE 23 Cb 0.11 -0.29 -0.03 0.00 0.22 0.00 0.00 35.95 35.97 1b4k h PHE 23 CO -0.02 0.72 -1.02 0.66 -2.00 0.00 0.00 178.31 176.65 1b4k h SER 24 N 0.92 0.05 -0.71 -0.68 4.64 -1.68 -2.00 113.55 114.09 1b4k h SER 24 Ca 0.22 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1b4k h SER 24 Cb 0.18 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1b4k h SER 24 CO -0.02 1.04 0.16 0.03 -0.87 0.00 0.00 176.83 177.17 1b4k h ARG 25 N 0.01 1.14 -0.65 4.77 3.08 -1.01 -1.49 114.38 120.23 1b4k h ARG 25 Ca -0.03 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 1b4k h ARG 25 Cb 1.78 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.66 1b4k h ARG 25 CO 0.14 1.01 0.08 0.00 -1.07 0.00 0.00 179.97 180.13 1b4k h ARG 26 N 1.08 1.09 -0.22 0.04 3.08 -1.06 -1.43 114.38 116.96 1b4k h ARG 26 Ca 0.22 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1b4k h ARG 26 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1b4k h ARG 26 CO 0.00 1.02 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.70 1b4k h LEU 27 N 1.01 0.36 -1.82 3.04 3.38 -0.95 -2.99 115.31 117.33 1b4k h LEU 27 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1b4k h LEU 27 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1b4k h LEU 27 CO 0.02 0.54 -0.01 0.52 0.09 0.00 0.00 178.44 179.59 1b4k n VAL 28 N -4.21 0.00 -1.68 1.22 0.31 -0.60 -4.97 118.33 108.40 1b4k n VAL 28 Ca -0.00 -0.47 -0.44 0.00 -0.01 0.00 0.00 64.34 63.42 1b4k n VAL 28 Cb 0.32 1.41 -0.04 0.00 -0.91 0.00 0.00 33.84 34.62 1b4k n VAL 28 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1b4k n ARG 29 N 1.21 2.59 0.06 5.55 0.63 -0.55 -4.90 116.66 121.26 1b4k n ARG 29 Ca 0.14 0.95 -0.04 0.00 -0.92 0.00 0.00 57.85 57.97 1b4k n ARG 29 Cb 0.58 -2.83 -0.09 0.00 0.45 0.00 0.00 32.46 30.57 1b4k n ARG 29 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1b4k h GLU 30 N 8.96 0.00 -4.22 -0.14 5.08 -1.91 -3.47 114.58 118.87 1b4k h GLU 30 Ca -0.48 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.70 1b4k h GLU 30 Cb 1.24 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 1b4k h GLU 30 CO 0.94 0.75 -0.70 -0.80 -1.00 0.00 0.00 179.01 178.20 1b4k s ASN 31 N -6.49 0.50 0.02 1.42 0.01 -1.26 -5.08 114.94 104.06 1b4k s ASN 31 Ca 0.01 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1b4k s ASN 31 Cb 0.09 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.85 1b4k s ASN 31 CO 0.80 -0.37 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.30 1b4k s VAL 32 N -2.27 0.18 -0.15 1.60 1.01 -1.26 -5.04 120.40 114.47 1b4k s VAL 32 Ca -0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1b4k s VAL 32 Cb -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1b4k s VAL 32 CO -0.03 -0.32 0.21 -0.22 0.00 0.00 0.00 175.10 174.73 1b4k s LEU 33 N -1.04 4.29 0.28 3.92 2.96 -1.26 -4.99 118.68 122.84 1b4k s LEU 33 Ca -0.10 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1b4k s LEU 33 Cb -0.07 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 1b4k s LEU 33 CO -0.00 0.22 0.06 0.42 -1.32 0.00 0.00 176.35 175.73 1b4k s THR 34 N -0.07 0.89 -0.09 3.68 -4.23 -1.26 -5.04 115.64 109.52 1b4k s THR 34 Ca 0.14 -2.01 0.30 0.00 -1.18 0.00 0.00 61.69 58.95 1b4k s THR 34 Cb -0.12 -2.66 0.34 0.00 1.34 0.00 0.00 72.50 71.40 1b4k s THR 34 CO 0.03 -0.05 1.90 0.58 -0.54 0.00 0.00 174.62 176.53 1b4k h VAL 35 N 2.29 0.00 -0.01 2.29 2.07 -1.95 -1.95 116.25 118.99 1b4k h VAL 35 Ca -0.39 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1b4k h VAL 35 Cb 1.24 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1b4k h VAL 35 CO 0.65 0.00 0.03 0.44 0.02 0.00 0.00 177.57 178.71 1b4k h ASP 36 N 0.00 0.00 0.06 0.57 3.32 -1.96 -2.40 116.42 116.00 1b4k h ASP 36 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1b4k h ASP 36 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1b4k h ASP 36 CO 0.00 0.00 -0.06 0.47 -1.72 0.00 0.00 179.24 177.93 1b4k n ASP 37 N -3.49 1.24 -4.70 6.45 8.00 -0.73 -4.88 116.55 118.45 1b4k n ASP 37 Ca -0.03 -1.29 -0.35 0.00 0.71 0.00 0.00 54.79 53.83 1b4k n ASP 37 Cb 0.10 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 1b4k n ASP 37 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1b4k s LEU 38 N -2.13 3.79 -0.10 0.64 1.43 -0.90 -0.59 118.68 120.81 1b4k s LEU 38 Ca 0.35 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1b4k s LEU 38 Cb 0.21 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1b4k s LEU 38 CO 0.38 0.31 -0.14 -0.63 0.23 0.00 0.00 176.35 176.50 1b4k s ILE 39 N -0.47 1.42 -0.29 -0.59 1.01 -0.42 -3.84 121.20 118.03 1b4k s ILE 39 Ca 0.09 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1b4k s ILE 39 Cb -0.12 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1b4k s ILE 39 CO 0.02 0.43 0.16 -0.22 0.00 0.00 0.00 174.94 175.32 1b4k s LEU 40 N 1.00 3.97 0.24 2.97 2.96 -0.70 -1.38 118.68 127.74 1b4k s LEU 40 Ca -0.07 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 1b4k s LEU 40 Cb -0.15 -2.04 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 1b4k s LEU 40 CO -0.01 -0.11 1.00 -2.84 -1.32 0.00 0.00 176.35 173.06 1b4k s PRO 41 N 1.68 4.77 -0.01 0.98 0.02 -1.26 -0.94 135.00 140.24 1b4k s PRO 41 Ca 0.06 1.59 0.02 0.00 0.02 0.00 0.00 61.00 62.69 1b4k s PRO 41 Cb -0.16 -3.26 -0.00 0.00 0.02 0.00 0.00 34.50 31.10 1b4k s PRO 41 CO 0.08 0.39 -0.07 0.14 -0.33 0.00 0.00 177.00 177.21 1b4k s VAL 42 N -1.06 0.57 -0.28 3.83 -7.23 -0.06 -4.86 120.40 111.31 1b4k s VAL 42 Ca 0.43 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 1b4k s VAL 42 Cb -0.28 -0.49 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 1b4k s VAL 42 CO 0.35 0.17 0.25 -0.36 -0.31 0.00 0.00 175.10 175.20 1b4k s PHE 43 N -0.03 3.23 -0.16 2.82 0.08 -1.26 -1.00 117.98 121.67 1b4k s PHE 43 Ca 0.01 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 1b4k s PHE 43 Cb -0.04 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1b4k s PHE 43 CO -0.00 -0.18 -0.06 0.08 -0.10 0.00 0.00 175.22 174.96 1b4k s VAL 44 N 1.84 3.59 0.35 -0.44 1.01 -0.23 -1.36 120.40 125.15 1b4k s VAL 44 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1b4k s VAL 44 Cb -0.16 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1b4k s VAL 44 CO 0.10 0.49 0.55 -0.76 0.00 0.00 0.00 175.10 175.49 1b4k s LEU 45 N 0.49 4.00 0.89 3.92 1.43 -0.03 -0.82 118.68 128.56 1b4k s LEU 45 Ca -0.05 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.33 1b4k s LEU 45 Cb -0.15 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 42.93 1b4k s LEU 45 CO 0.03 -0.32 1.24 -0.62 0.23 0.00 0.00 176.35 176.92 1b4k s ASP 46 N -4.05 3.77 0.05 2.29 2.15 -1.26 -3.86 116.67 115.76 1b4k s ASP 46 Ca 0.40 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.94 1b4k s ASP 46 Cb -0.10 -0.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 1b4k s ASP 46 CO 0.36 -2.35 0.00 0.61 -0.17 0.00 0.00 175.17 173.62 1b4k n GLY 47 N -3.43 -2.10 3.18 2.66 0.00 -1.26 -4.74 105.19 99.50 1b4k n GLY 47 Ca 0.11 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1b4k n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4k s VAL 48 N -0.30 1.44 -1.30 1.61 1.01 -1.26 -4.28 120.40 117.33 1b4k s VAL 48 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1b4k s VAL 48 Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1b4k s VAL 48 CO 0.00 0.41 0.71 -3.20 0.00 0.00 0.00 175.10 173.02 1b4k n ASN 49 N 2.64 -1.31 -4.30 3.32 4.05 -1.26 -5.00 115.26 113.40 1b4k n ASN 49 Ca -0.15 -0.82 -0.32 0.00 0.45 0.00 0.00 54.58 53.75 1b4k n ASN 49 Cb 0.54 -4.09 -0.16 0.00 1.23 0.00 0.00 39.78 37.29 1b4k n ASN 49 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1b4k s GLN 50 N -5.94 2.66 -0.13 1.20 -1.52 -1.26 -5.01 119.66 109.67 1b4k s GLN 50 Ca 0.01 -0.85 -0.05 0.00 -1.95 0.00 0.00 55.36 52.52 1b4k s GLN 50 Cb -0.00 -2.25 0.06 0.00 -0.22 0.00 0.00 33.01 30.60 1b4k s GLN 50 CO 0.81 0.38 0.26 1.03 -0.25 0.00 0.00 175.29 177.52 1b4k s ARG 51 N -0.15 0.16 -0.05 2.91 0.52 -1.26 -1.15 118.95 119.93 1b4k s ARG 51 Ca -0.03 0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1b4k s ARG 51 Cb -0.14 -0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.29 1b4k s ARG 51 CO 0.04 -0.26 -0.11 -1.21 0.02 0.00 0.00 175.30 173.78 1b4k s GLU 52 N 2.21 1.40 0.50 3.54 2.02 -0.60 -4.96 118.70 122.81 1b4k s GLU 52 Ca -0.01 -0.35 -0.19 0.00 0.02 0.00 0.00 54.97 54.44 1b4k s GLU 52 Cb -0.12 -1.21 -0.08 0.00 0.10 0.00 0.00 34.13 32.82 1b4k s GLU 52 CO -0.09 0.05 1.00 -1.12 0.02 0.00 0.00 175.26 175.12 1b4k s SER 53 N 0.55 6.51 -0.31 -0.19 0.01 -1.26 -0.29 113.70 118.72 1b4k s SER 53 Ca -0.11 1.73 0.03 0.00 1.31 0.00 0.00 55.95 58.91 1b4k s SER 53 Cb -0.14 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.64 1b4k s SER 53 CO 0.02 -0.66 -0.01 -0.63 0.41 0.00 0.00 173.24 172.37 1b4k s ILE 54 N -2.31 2.34 0.34 1.44 1.01 -1.20 -4.88 121.20 117.95 1b4k s ILE 54 Ca 0.63 -1.96 0.08 0.00 0.00 0.00 0.00 60.65 59.40 1b4k s ILE 54 Cb -0.12 -2.55 0.32 0.00 0.01 0.00 0.00 42.46 40.12 1b4k s ILE 54 CO 0.24 -0.33 1.84 -0.65 0.00 0.00 0.00 174.94 176.04 1b4k h PRO 55 N 7.73 0.70 -0.04 2.79 0.11 -1.97 -1.35 132.00 139.98 1b4k h PRO 55 Ca -0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1b4k h PRO 55 Cb 1.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1b4k h PRO 55 CO 0.51 0.46 0.00 -1.13 -0.21 0.00 0.00 178.00 177.63 1b4k n SER 56 N -4.61 0.69 -3.26 -2.05 3.41 -1.26 -4.05 113.62 102.50 1b4k n SER 56 Ca 0.19 -1.39 -0.25 0.00 -0.26 0.00 0.00 58.87 57.17 1b4k n SER 56 Cb 0.51 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1b4k n SER 56 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1b4k n MET 57 N -0.39 1.20 -1.62 4.33 2.81 -0.51 -4.66 117.12 118.28 1b4k n MET 57 Ca 0.18 -3.62 -0.53 0.00 -1.81 0.00 0.00 57.70 51.92 1b4k n MET 57 Cb 0.20 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 1b4k n MET 57 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1b4k n PRO 58 N 1.28 1.22 0.00 0.03 -0.02 -1.24 -1.56 135.00 134.71 1b4k n PRO 58 Ca 0.24 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1b4k n PRO 58 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1b4k n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4k n GLY 59 N 2.99 1.68 3.84 -1.23 0.00 -1.26 -5.02 105.19 106.18 1b4k n GLY 59 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1b4k n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4k s VAL 60 N -2.33 5.45 0.13 1.61 1.01 -0.60 -5.10 120.40 120.57 1b4k s VAL 60 Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1b4k s VAL 60 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1b4k s VAL 60 CO 0.00 0.57 -0.23 -1.61 0.00 0.00 0.00 175.10 173.83 1b4k s GLU 61 N -0.64 1.27 0.08 2.72 2.02 -1.26 -3.21 118.70 119.67 1b4k s GLU 61 Ca 0.14 -1.29 -0.24 0.00 0.02 0.00 0.00 54.97 53.59 1b4k s GLU 61 Cb -0.12 -1.60 -0.06 0.00 0.10 0.00 0.00 34.13 32.44 1b4k s GLU 61 CO 0.03 0.37 0.75 1.03 0.02 0.00 0.00 175.26 177.46 1b4k s ARG 62 N -2.13 4.49 -0.02 1.61 0.52 0.60 -4.51 118.95 119.51 1b4k s ARG 62 Ca 0.11 1.05 0.04 0.00 -0.52 0.00 0.00 55.73 56.41 1b4k s ARG 62 Cb -0.09 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 1b4k s ARG 62 CO 0.06 0.38 -0.12 -0.51 0.02 0.00 0.00 175.30 175.13 1b4k s LEU 63 N -0.41 1.97 0.86 2.53 1.43 -0.47 -1.56 118.68 123.03 1b4k s LEU 63 Ca 0.37 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1b4k s LEU 63 Cb -0.21 -0.66 0.11 0.00 0.03 0.00 0.00 46.19 45.45 1b4k s LEU 63 CO 0.23 0.14 1.10 -0.94 0.23 0.00 0.00 176.35 177.11 1b4k s SER 64 N -0.17 3.92 0.24 2.29 1.04 -0.30 -0.85 113.70 119.86 1b4k s SER 64 Ca 0.03 1.29 -0.06 0.00 0.48 0.00 0.00 55.95 57.69 1b4k s SER 64 Cb -0.06 -1.98 0.32 0.00 0.10 0.00 0.00 66.02 64.39 1b4k s SER 64 CO -0.00 -2.33 1.85 0.40 0.98 0.00 0.00 173.24 174.14 1b4k h ILE 65 N -1.34 1.03 -0.94 -1.02 2.04 -1.74 0.21 117.51 115.75 1b4k h ILE 65 Ca -0.49 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1b4k h ILE 65 Cb 1.29 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1b4k h ILE 65 CO 0.58 0.17 0.62 -2.24 0.00 0.00 0.00 178.15 177.29 1b4k h ASP 66 N 0.94 1.07 0.08 1.72 2.03 -1.92 -0.47 116.42 119.87 1b4k h ASP 66 Ca 0.36 -0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.48 1b4k h ASP 66 Cb 0.17 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1b4k h ASP 66 CO -0.17 0.76 -0.59 1.56 -1.03 0.00 0.00 179.24 179.77 1b4k h GLN 67 N 1.26 0.51 -0.41 4.15 1.08 -1.68 -2.73 115.11 117.29 1b4k h GLN 67 Ca 0.35 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1b4k h GLN 67 Cb -0.11 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1b4k h GLN 67 CO -0.08 0.95 0.20 1.25 -0.95 0.00 0.00 178.83 180.20 1b4k h LEU 68 N 0.39 0.53 -1.08 1.46 5.85 -0.43 -0.96 115.31 121.06 1b4k h LEU 68 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1b4k h LEU 68 Cb 1.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1b4k h LEU 68 CO 0.11 0.51 0.44 -0.07 -0.34 0.00 0.00 178.44 179.09 1b4k h LEU 69 N 0.52 0.96 -0.31 2.25 3.38 -1.06 0.93 115.31 121.98 1b4k h LEU 69 Ca 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1b4k h LEU 69 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1b4k h LEU 69 CO -0.02 0.76 0.02 0.40 0.09 0.00 0.00 178.44 179.70 1b4k h ILE 70 N 1.09 1.25 -0.16 1.22 2.04 -1.11 -2.98 117.51 118.86 1b4k h ILE 70 Ca 0.28 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 1b4k h ILE 70 Cb 0.00 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1b4k h ILE 70 CO -0.05 0.29 -0.34 -0.33 0.00 0.00 0.00 178.15 177.72 1b4k h GLU 71 N 0.34 0.32 0.00 2.37 4.39 -0.89 -2.67 114.58 118.43 1b4k h GLU 71 Ca 0.09 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1b4k h GLU 71 Cb 0.39 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1b4k h GLU 71 CO 0.01 0.62 -0.07 0.00 -1.16 0.00 0.00 179.01 178.41 1b4k h ALA 72 N 1.37 1.15 -0.87 3.43 0.00 -0.72 -2.19 119.26 121.43 1b4k h ALA 72 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1b4k h ALA 72 Cb 0.73 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1b4k h ALA 72 CO 0.06 0.09 0.57 1.49 0.00 0.00 0.00 179.25 181.46 1b4k h GLU 73 N 0.00 1.11 0.04 0.00 4.81 -1.33 -0.82 114.58 118.39 1b4k h GLU 73 Ca -0.00 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 1b4k h GLU 73 Cb 0.32 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1b4k h GLU 73 CO 0.01 0.73 -1.00 1.49 -0.73 0.00 0.00 179.01 179.51 1b4k h GLU 74 N 1.14 0.18 -0.76 1.92 4.57 -1.57 -1.84 114.58 118.23 1b4k h GLU 74 Ca 0.33 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1b4k h GLU 74 Cb -0.08 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1b4k h GLU 74 CO -0.08 1.04 0.27 -1.49 -1.18 0.00 0.00 179.01 177.56 1b4k h TRP 75 N 0.08 1.19 -0.24 0.92 6.55 -1.25 -0.69 115.95 122.51 1b4k h TRP 75 Ca -0.06 -0.10 -0.07 0.00 0.95 0.00 0.00 58.89 59.60 1b4k h TRP 75 Cb 1.68 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 29.63 1b4k h TRP 75 CO 0.03 0.92 -0.13 0.28 -1.05 0.00 0.00 178.44 178.49 1b4k h VAL 76 N 1.12 1.30 -0.43 1.49 2.07 -1.17 -2.21 116.25 118.42 1b4k h VAL 76 Ca 0.25 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1b4k h VAL 76 Cb 0.26 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1b4k h VAL 76 CO -0.01 0.38 0.29 0.00 0.02 0.00 0.00 177.57 178.24 1b4k h ALA 77 N 0.71 1.81 0.00 1.67 0.00 -1.01 -1.36 119.26 121.09 1b4k h ALA 77 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b4k h ALA 77 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1b4k h ALA 77 CO 0.04 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1b4k n LEU 78 N -4.48 0.39 0.00 0.00 4.77 -0.29 -4.92 117.00 112.47 1b4k n LEU 78 Ca 0.04 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1b4k n LEU 78 Cb 0.15 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1b4k n LEU 78 CO 0.35 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1b4k n GLY 79 N 0.80 0.70 3.69 -0.72 0.00 -0.51 -4.95 105.19 104.21 1b4k n GLY 79 Ca 0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1b4k n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b4k s ILE 80 N -2.00 3.06 0.28 -0.61 1.01 -0.86 -4.75 121.20 117.33 1b4k s ILE 80 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1b4k s ILE 80 Cb 0.00 -3.36 0.11 0.00 0.01 0.00 0.00 42.46 39.22 1b4k s ILE 80 CO 0.00 0.01 1.77 -0.65 0.00 0.00 0.00 174.94 176.07 1b4k h PRO 81 N 7.97 0.68 -3.32 2.79 0.11 -1.77 -3.44 132.00 135.03 1b4k h PRO 81 Ca -0.42 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.44 1b4k h PRO 81 Cb 1.20 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 1b4k h PRO 81 CO 0.92 0.73 -0.08 0.00 -0.21 0.00 0.00 178.00 179.36 1b4k s ALA 82 N -4.89 -0.94 0.16 -0.75 0.00 -1.26 -1.16 121.76 112.93 1b4k s ALA 82 Ca -0.09 0.02 0.08 0.00 0.00 0.00 0.00 51.96 51.98 1b4k s ALA 82 Cb 0.15 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1b4k s ALA 82 CO 0.80 -0.60 -0.08 -0.51 0.00 0.00 0.00 175.76 175.37 1b4k s LEU 83 N -2.63 3.06 -0.24 0.00 1.43 -0.02 -1.72 118.68 118.56 1b4k s LEU 83 Ca 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1b4k s LEU 83 Cb 0.01 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1b4k s LEU 83 CO -0.10 0.12 -0.11 0.00 0.23 0.00 0.00 176.35 176.49 1b4k s ALA 84 N -1.59 2.58 0.07 4.21 0.00 -0.12 -0.93 121.76 125.98 1b4k s ALA 84 Ca 0.25 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1b4k s ALA 84 Cb -0.09 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 1b4k s ALA 84 CO 0.16 -0.81 0.70 -0.51 0.00 0.00 0.00 175.76 175.30 1b4k s LEU 85 N 1.26 4.50 -0.22 0.00 1.43 -0.52 -0.88 118.68 124.25 1b4k s LEU 85 Ca -0.01 1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1b4k s LEU 85 Cb -0.17 -3.12 0.07 0.00 0.03 0.00 0.00 46.19 43.00 1b4k s LEU 85 CO -0.07 0.14 0.03 -0.36 0.23 0.00 0.00 176.35 176.32 1b4k s PHE 86 N -0.58 1.35 0.30 0.29 0.08 -0.17 -3.80 117.98 115.45 1b4k s PHE 86 Ca 0.34 -1.14 -0.29 0.00 0.12 0.00 0.00 56.93 55.96 1b4k s PHE 86 Cb -0.21 -1.22 -0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1b4k s PHE 86 CO 0.22 -0.68 1.16 -1.25 -0.10 0.00 0.00 175.22 174.57 1b4k s PRO 87 N 1.75 4.53 -1.06 0.24 0.04 -1.26 -1.07 135.00 138.16 1b4k s PRO 87 Ca -0.00 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1b4k s PRO 87 Cb -0.17 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.49 1b4k s PRO 87 CO -0.11 0.07 1.09 0.08 0.04 0.00 0.00 177.00 178.18 1b4k s VAL 88 N -1.18 5.72 0.27 -0.36 1.01 0.00 -4.85 120.40 121.01 1b4k s VAL 88 Ca 0.46 -3.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 1b4k s VAL 88 Cb -0.34 -4.63 -0.11 0.00 0.00 0.00 0.00 36.38 31.30 1b4k s VAL 88 CO 0.44 -1.24 1.49 -0.89 0.00 0.00 0.00 175.10 174.90 1b4k s THR 89 N -0.34 2.43 0.40 3.92 2.01 -1.26 -4.56 115.64 118.25 1b4k s THR 89 Ca 0.30 0.37 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 1b4k s THR 89 Cb -0.09 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.09 1b4k s THR 89 CO -0.07 0.06 1.47 -2.65 -0.69 0.00 0.00 174.62 172.74 1b4k n PRO 90 N 2.18 2.53 -0.31 4.92 -0.02 -1.26 -4.88 135.00 138.16 1b4k n PRO 90 Ca 0.07 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.54 1b4k n PRO 90 Cb 0.39 -2.66 0.27 0.00 -0.02 0.00 0.00 33.50 31.48 1b4k n PRO 90 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1b4k h VAL 91 N 2.72 0.67 0.00 -1.45 2.07 -1.96 -1.41 116.25 116.89 1b4k h VAL 91 Ca -0.51 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1b4k h VAL 91 Cb 1.25 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1b4k h VAL 91 CO 0.63 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 176.49 1b4k n GLU 92 N -4.87 0.11 -0.09 1.57 0.00 -1.26 -2.32 120.64 113.77 1b4k n GLU 92 Ca 0.20 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.85 1b4k n GLU 92 Cb 0.52 -1.72 0.24 0.00 0.00 0.00 0.00 31.44 30.48 1b4k n GLU 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1b4k n LYS 93 N -1.92 2.23 -3.01 3.44 5.02 -0.53 -4.91 118.16 118.48 1b4k n LYS 93 Ca 0.02 -1.83 -0.39 0.00 -2.02 0.00 0.00 58.31 54.10 1b4k n LYS 93 Cb 0.18 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1b4k n LYS 93 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b4k s LYS 94 N -1.77 4.50 0.33 1.97 1.02 -0.98 -4.60 119.74 120.21 1b4k s LYS 94 Ca 0.34 1.09 -0.09 0.00 0.02 0.00 0.00 55.97 57.33 1b4k s LYS 94 Cb 0.21 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1b4k s LYS 94 CO 0.30 0.54 0.57 -1.54 -0.92 0.00 0.00 175.35 174.31 1b4k s SER 95 N -1.23 0.39 0.23 2.83 1.04 -0.41 -4.70 113.70 111.85 1b4k s SER 95 Ca 0.37 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1b4k s SER 95 Cb -0.22 0.70 0.23 0.00 0.10 0.00 0.00 66.02 66.84 1b4k s SER 95 CO 0.25 -1.37 1.55 -0.07 0.98 0.00 0.00 173.24 174.57 1b4k h LEU 96 N 2.11 0.28 -0.32 2.42 3.38 -1.96 -2.98 115.31 118.25 1b4k h LEU 96 Ca -0.28 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1b4k h LEU 96 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1b4k h LEU 96 CO 0.38 0.83 -0.20 -0.90 0.09 0.00 0.00 178.44 178.63 1b4k n ASP 97 N -3.87 0.70 -2.73 -0.43 5.68 -1.26 -4.76 116.55 109.88 1b4k n ASP 97 Ca -0.02 -0.64 -0.18 0.00 -0.50 0.00 0.00 54.79 53.44 1b4k n ASP 97 Cb 0.62 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1b4k n ASP 97 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b4k n ALA 98 N -0.89 -0.84 0.26 2.12 0.00 -1.20 -4.86 120.51 115.11 1b4k n ALA 98 Ca 0.12 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1b4k n ALA 98 Cb 0.32 -2.39 0.73 0.00 0.00 0.00 0.00 19.45 18.11 1b4k n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b4k h ALA 99 N 1.00 1.39 0.00 0.00 0.00 -1.89 -1.28 119.26 118.47 1b4k h ALA 99 Ca -0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1b4k h ALA 99 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1b4k h ALA 99 CO 0.48 0.13 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1b4k h GLU 100 N 0.00 0.00 -0.48 0.00 4.57 -1.89 -2.35 114.58 114.43 1b4k h GLU 100 Ca -0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1b4k h GLU 100 Cb 0.26 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1b4k h GLU 100 CO 0.01 0.00 0.32 0.00 -1.18 0.00 0.00 179.01 178.16 1b4k h ALA 101 N 2.00 1.83 -0.26 2.92 0.00 -1.61 -2.28 119.26 121.87 1b4k h ALA 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b4k h ALA 101 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1b4k h ALA 101 CO 0.00 0.11 0.00 2.48 0.00 0.00 0.00 179.25 181.84 1b4k n TYR 102 N -4.48 0.69 -2.05 0.00 0.18 -0.89 -4.64 117.16 105.97 1b4k n TYR 102 Ca 0.06 -0.74 -0.42 0.00 1.88 0.00 0.00 57.90 58.67 1b4k n TYR 102 Cb 0.18 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 38.91 1b4k n TYR 102 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1b4k s ASN 103 N -1.64 6.71 0.60 9.48 3.84 -0.86 -4.88 114.94 128.19 1b4k s ASN 103 Ca 0.33 2.35 0.35 0.00 0.21 0.00 0.00 52.86 56.11 1b4k s ASN 103 Cb 0.25 -2.57 1.93 0.00 -0.55 0.00 0.00 41.25 40.31 1b4k s ASN 103 CO 0.10 -0.80 2.24 -0.65 -2.79 0.00 0.00 177.10 175.20 1b4k h PRO 104 N 7.89 0.00 -0.64 0.43 0.11 -1.94 -0.17 132.00 137.68 1b4k h PRO 104 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1b4k h PRO 104 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b4k h PRO 104 CO 0.91 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 1b4k n GLU 105 N -3.47 3.64 -1.11 1.05 -0.58 -1.26 -4.43 120.64 114.48 1b4k n GLU 105 Ca -0.02 -2.86 -0.30 0.00 -0.42 0.00 0.00 57.16 53.56 1b4k n GLU 105 Cb 0.13 -1.86 0.14 0.00 -0.57 0.00 0.00 31.44 29.29 1b4k n GLU 105 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1b4k s GLY 106 N -0.95 1.63 0.18 0.62 0.00 -0.08 -4.74 107.32 103.97 1b4k s GLY 106 Ca 0.50 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 45.13 1b4k s GLY 106 CO 0.25 0.53 1.77 -2.22 0.00 0.00 0.00 173.10 173.42 1b4k h ILE 107 N -1.61 0.91 -0.75 0.90 2.04 -1.92 0.63 117.51 117.72 1b4k h ILE 107 Ca -0.49 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1b4k h ILE 107 Cb 1.28 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1b4k h ILE 107 CO 0.52 0.08 0.36 0.00 0.00 0.00 0.00 178.15 179.11 1b4k h ALA 108 N 1.29 0.96 -0.16 1.87 0.00 -1.94 0.91 119.26 122.20 1b4k h ALA 108 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1b4k h ALA 108 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1b4k h ALA 108 CO -0.18 0.53 0.01 1.96 0.00 0.00 0.00 179.25 181.56 1b4k h GLN 109 N 1.05 0.27 -0.74 0.00 7.50 -1.77 -0.23 115.11 121.20 1b4k h GLN 109 Ca 0.26 -0.08 -0.05 0.00 0.50 0.00 0.00 58.65 59.27 1b4k h GLN 109 Cb 0.12 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 1b4k h GLN 109 CO -0.03 0.48 0.25 0.00 -1.50 0.00 0.00 178.83 178.03 1b4k h ARG 110 N 0.02 1.13 -0.45 1.46 3.08 -0.52 -2.07 114.38 117.03 1b4k h ARG 110 Ca 0.04 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1b4k h ARG 110 Cb 0.36 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1b4k h ARG 110 CO 0.01 0.95 0.01 0.00 -1.07 0.00 0.00 179.97 179.86 1b4k h ALA 111 N 1.17 0.61 -0.03 0.04 0.00 -0.73 -2.11 119.26 118.22 1b4k h ALA 111 Ca 0.24 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1b4k h ALA 111 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1b4k h ALA 111 CO -0.01 0.40 -0.07 1.15 0.00 0.00 0.00 179.25 180.72 1b4k h THR 112 N 0.64 0.81 -0.90 0.00 2.02 -0.90 -1.25 112.91 113.33 1b4k h THR 112 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1b4k h THR 112 Cb 0.49 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1b4k h THR 112 CO 0.02 0.00 0.59 0.03 0.37 0.00 0.00 175.52 176.53 1b4k h ARG 113 N -0.11 1.13 -0.53 6.66 3.08 -1.23 -0.47 114.38 122.92 1b4k h ARG 113 Ca 0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1b4k h ARG 113 Cb 0.16 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1b4k h ARG 113 CO -0.09 0.75 0.21 0.00 -1.07 0.00 0.00 179.97 179.76 1b4k h ALA 114 N 1.36 0.69 -0.26 0.04 0.00 -1.19 -2.10 119.26 117.79 1b4k h ALA 114 Ca 0.35 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1b4k h ALA 114 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1b4k h ALA 114 CO -0.10 0.31 -0.54 -0.07 0.00 0.00 0.00 179.25 178.85 1b4k h LEU 115 N 0.72 0.94 -1.33 0.00 3.38 -0.94 -2.13 115.31 115.95 1b4k h LEU 115 Ca 0.18 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1b4k h LEU 115 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1b4k h LEU 115 CO -0.01 1.31 0.13 0.03 0.09 0.00 0.00 178.44 179.98 1b4k h ARG 116 N 0.60 0.58 -0.08 1.13 2.47 -1.03 -0.50 114.38 117.56 1b4k h ARG 116 Ca 0.01 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.46 1b4k h ARG 116 Cb 1.15 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1b4k h ARG 116 CO 0.12 0.51 -0.63 1.49 0.56 0.00 0.00 179.97 182.02 1b4k h GLU 117 N 0.58 0.57 -0.06 0.04 4.81 -1.29 -3.27 114.58 115.96 1b4k h GLU 117 Ca 0.14 -0.51 -0.22 0.00 -0.13 0.00 0.00 59.36 58.64 1b4k h GLU 117 Cb 0.17 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1b4k h GLU 117 CO -0.01 1.13 -0.86 -0.09 -0.73 0.00 0.00 179.01 178.46 1b4k h ARG 118 N 0.18 0.52 -2.29 1.92 9.65 -1.17 -3.39 114.38 119.80 1b4k h ARG 118 Ca -0.06 -0.49 -0.59 0.00 -1.10 0.00 0.00 59.98 57.75 1b4k h ARG 118 Cb 1.29 0.12 -0.40 0.00 -1.39 0.00 0.00 29.97 29.59 1b4k h ARG 118 CO 0.13 1.12 -0.88 1.19 2.80 0.00 0.00 179.97 184.33 1b4k n PHE 119 N -3.83 0.96 -0.13 2.20 3.72 -0.21 -5.00 117.46 115.18 1b4k n PHE 119 Ca -0.07 -3.75 0.22 0.00 -0.05 0.00 0.00 57.45 53.81 1b4k n PHE 119 Cb 0.78 -0.29 0.64 0.00 -0.94 0.00 0.00 39.48 39.68 1b4k n PHE 119 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1b4k h PRO 120 N 4.63 0.13 -0.00 -1.08 0.11 -1.76 -1.13 132.00 132.89 1b4k h PRO 120 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1b4k h PRO 120 Cb 0.82 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1b4k h PRO 120 CO 0.56 0.08 -0.27 0.39 -0.21 0.00 0.00 178.00 178.56 1b4k n GLU 121 N -4.38 0.47 -2.70 1.05 -0.58 -1.26 -4.89 120.64 108.35 1b4k n GLU 121 Ca 0.15 -0.23 -0.42 0.00 -0.42 0.00 0.00 57.16 56.24 1b4k n GLU 121 Cb 0.73 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.08 1b4k n GLU 121 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1b4k s LEU 122 N -2.69 4.39 0.18 -4.62 2.96 -0.43 -5.00 118.68 113.47 1b4k s LEU 122 Ca 0.20 1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 55.51 1b4k s LEU 122 Cb 0.19 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.23 1b4k s LEU 122 CO 0.56 -0.24 1.15 -0.83 -1.32 0.00 0.00 176.35 175.67 1b4k s GLY 123 N 0.87 2.76 -0.23 7.98 0.00 -0.30 -4.94 107.32 113.45 1b4k s GLY 123 Ca 0.52 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 46.12 1b4k s GLY 123 CO 0.28 1.76 -0.10 -0.42 0.00 0.00 0.00 173.10 174.63 1b4k s ILE 124 N -0.16 2.71 -0.33 0.90 -1.09 -1.26 -0.84 121.20 121.13 1b4k s ILE 124 Ca 0.51 -0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1b4k s ILE 124 Cb -0.31 -2.31 0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1b4k s ILE 124 CO 0.36 0.30 0.09 -0.63 -1.23 0.00 0.00 174.94 173.84 1b4k s ILE 125 N 1.33 3.76 0.32 2.92 1.01 -0.10 -2.62 121.20 127.81 1b4k s ILE 125 Ca 0.02 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 1b4k s ILE 125 Cb -0.16 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1b4k s ILE 125 CO -0.06 -0.13 0.59 0.42 0.00 0.00 0.00 174.94 175.76 1b4k s THR 126 N 1.41 5.00 -0.19 2.92 -4.23 -0.54 -1.43 115.64 118.57 1b4k s THR 126 Ca -0.01 0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 1b4k s THR 126 Cb -0.19 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1b4k s THR 126 CO 0.02 -0.40 0.38 -0.62 -0.54 0.00 0.00 174.62 173.47 1b4k s ASP 127 N -3.30 6.44 -0.37 3.99 2.15 -1.25 -0.11 116.67 124.22 1b4k s ASP 127 Ca 0.44 0.52 -0.09 0.00 0.43 0.00 0.00 52.55 53.85 1b4k s ASP 127 Cb -0.11 -2.22 0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1b4k s ASP 127 CO 0.31 -0.05 0.18 -0.69 -0.17 0.00 0.00 175.17 174.76 1b4k s VAL 128 N 1.17 4.30 0.00 1.11 1.01 -0.53 -4.89 120.40 122.57 1b4k s VAL 128 Ca 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1b4k s VAL 128 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1b4k s VAL 128 CO 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 174.92 1b4k n ALA 129 N 4.93 0.00 0.89 5.51 0.00 -1.26 -1.30 120.51 129.29 1b4k n ALA 129 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1b4k n ALA 129 Cb 0.45 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.00 1b4k n ALA 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b4k n LEU 130 N 0.00 2.89 0.02 0.00 4.77 -0.86 -4.61 117.00 119.21 1b4k n LEU 130 Ca 0.00 -1.03 0.04 0.00 -0.03 0.00 0.00 56.01 54.99 1b4k n LEU 130 Cb 0.00 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.51 1b4k n LEU 130 CO 0.00 0.50 1.14 -2.24 -1.33 0.00 0.00 177.39 175.46 1b4k h ASP 131 N 4.37 0.44 0.74 -1.43 2.03 -1.71 0.86 116.42 121.73 1b4k h ASP 131 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1b4k h ASP 131 Cb 0.93 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 1b4k h ASP 131 CO 0.00 0.33 0.00 -2.65 -1.03 0.00 0.00 179.24 175.89 1b4k n PRO 132 N -4.46 0.12 0.00 4.15 -0.02 -1.26 -3.77 135.00 129.76 1b4k n PRO 132 Ca 0.03 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 1b4k n PRO 132 Cb 0.07 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1b4k n PRO 132 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1b4k n PHE 133 N -1.93 0.00 -3.65 6.00 3.72 0.23 -4.55 117.46 117.27 1b4k n PHE 133 Ca 0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.12 1b4k n PHE 133 Cb 0.24 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 1b4k n PHE 133 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1b4k s THR 134 N -1.61 5.15 0.37 4.37 -4.23 -0.78 -1.29 115.64 117.62 1b4k s THR 134 Ca 0.03 0.07 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1b4k s THR 134 Cb 0.06 -3.62 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1b4k s THR 134 CO 0.29 0.03 1.84 0.71 -0.54 0.00 0.00 174.62 176.95 1b4k h THR 135 N 2.04 1.22 -0.00 3.99 1.35 -1.80 -2.83 112.91 116.88 1b4k h THR 135 Ca -0.46 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1b4k h THR 135 Cb 1.16 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1b4k h THR 135 CO 0.72 0.34 -0.40 0.00 -0.25 0.00 0.00 175.52 175.93 1b4k n HIS 136 N -4.08 0.00 -0.76 4.73 1.44 -1.26 -4.63 115.22 110.66 1b4k n HIS 136 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1b4k n HIS 136 Cb 0.39 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.26 1b4k n HIS 136 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b4k n GLY 137 N 1.46 1.34 3.87 -1.39 0.00 -1.07 -3.57 105.19 105.84 1b4k n GLY 137 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1b4k n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b4k s GLN 138 N -0.05 3.60 0.00 1.61 -1.52 -1.26 -4.69 119.66 117.35 1b4k s GLN 138 Ca 0.00 0.75 0.30 0.00 -1.95 0.00 0.00 55.36 54.46 1b4k s GLN 138 Cb 0.00 -2.08 1.49 0.00 -0.22 0.00 0.00 33.01 32.20 1b4k s GLN 138 CO 0.00 -0.56 2.03 -0.25 -0.25 0.00 0.00 175.29 176.26 1b4k n ASP 139 N -2.73 0.06 -1.53 5.90 9.92 -1.26 -3.25 116.55 123.66 1b4k n ASP 139 Ca 0.06 -0.23 -0.03 0.00 -0.53 0.00 0.00 54.79 54.06 1b4k n ASP 139 Cb 0.54 -0.24 -0.01 0.00 -0.64 0.00 0.00 41.12 40.76 1b4k n ASP 139 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4k n GLY 140 N 1.28 3.89 3.74 0.44 0.00 -1.26 -2.02 105.19 111.26 1b4k n GLY 140 Ca 0.15 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 1b4k n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b4k s ILE 141 N -2.06 4.74 0.14 -0.61 -1.09 -1.26 -4.91 121.20 116.15 1b4k s ILE 141 Ca 0.05 1.63 -0.14 0.00 -2.23 0.00 0.00 60.65 59.96 1b4k s ILE 141 Cb 0.00 -4.12 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1b4k s ILE 141 CO 0.04 0.36 0.54 -0.76 -1.23 0.00 0.00 174.94 173.88 1b4k s LEU 142 N -0.01 4.34 0.00 2.97 1.43 -1.26 -1.00 118.68 125.15 1b4k s LEU 142 Ca 0.39 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 54.51 1b4k s LEU 142 Cb -0.20 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.90 1b4k s LEU 142 CO 0.23 0.11 0.80 -0.90 0.23 0.00 0.00 176.35 176.82 1b4k n ASP 143 N 0.84 0.65 0.10 2.29 5.68 -0.27 -4.89 116.55 120.94 1b4k n ASP 143 Ca -0.06 -1.65 0.11 0.00 -0.50 0.00 0.00 54.79 52.69 1b4k n ASP 143 Cb 0.52 -0.56 0.45 0.00 -1.14 0.00 0.00 41.12 40.39 1b4k n ASP 143 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1b4k n ASP 144 N -3.17 0.52 -0.70 -1.12 8.00 -1.26 -1.56 116.55 117.26 1b4k n ASP 144 Ca 0.12 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.37 1b4k n ASP 144 Cb 0.42 -0.74 0.34 0.00 -0.02 0.00 0.00 41.12 41.12 1b4k n ASP 144 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1b4k n ASP 145 N -2.07 2.17 0.00 -2.24 8.00 -1.26 -4.93 116.55 116.21 1b4k n ASP 145 Ca 0.03 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1b4k n ASP 145 Cb 0.22 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1b4k n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4k n GLY 146 N 1.25 0.58 3.81 0.44 0.00 -0.60 -5.04 105.19 105.64 1b4k n GLY 146 Ca 0.17 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1b4k n GLY 146 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b4k s TYR 147 N -2.00 3.69 -0.64 1.61 5.04 -1.26 -4.79 117.35 119.00 1b4k s TYR 147 Ca 0.00 1.35 -0.28 0.00 -2.44 0.00 0.00 57.07 55.71 1b4k s TYR 147 Cb 0.00 -2.58 0.03 0.00 0.35 0.00 0.00 41.96 39.76 1b4k s TYR 147 CO 0.00 0.40 1.22 0.08 -1.34 0.00 0.00 175.55 175.91 1b4k s VAL 148 N -1.43 3.92 0.28 3.14 1.01 -1.26 -1.12 120.40 124.95 1b4k s VAL 148 Ca 0.40 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1b4k s VAL 148 Cb -0.17 -4.79 -0.12 0.00 0.00 0.00 0.00 36.38 31.29 1b4k s VAL 148 CO 0.21 -1.52 1.56 0.18 0.00 0.00 0.00 175.10 175.53 1b4k n LEU 149 N 8.75 4.12 -0.03 3.92 4.77 -0.17 -4.94 117.00 133.42 1b4k n LEU 149 Ca 0.06 1.14 -0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1b4k n LEU 149 Cb 0.49 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1b4k n LEU 149 CO 0.71 0.03 0.00 -1.13 -1.33 0.00 0.00 177.39 175.68 1b4k h ASN 150 N 4.72 -0.00 0.19 -1.43 -0.73 -1.93 -3.24 115.58 113.16 1b4k h ASN 150 Ca -0.46 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.58 1b4k h ASN 150 Cb 1.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1b4k h ASN 150 CO 0.79 0.33 -0.45 0.44 -0.37 0.00 0.00 177.43 178.17 1b4k h ASP 151 N -0.66 0.34 -0.19 1.15 3.32 -1.93 -1.38 116.42 117.07 1b4k h ASP 151 Ca -0.00 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1b4k h ASP 151 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1b4k h ASP 151 CO 0.00 0.75 -0.12 0.58 -1.72 0.00 0.00 179.24 178.74 1b4k h VAL 152 N 0.26 1.24 -0.39 -1.35 2.07 -1.97 -2.15 116.25 113.96 1b4k h VAL 152 Ca 0.02 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1b4k h VAL 152 Cb 0.90 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1b4k h VAL 152 CO 0.07 0.35 -0.02 0.28 0.02 0.00 0.00 177.57 178.27 1b4k h SER 153 N 0.52 0.70 -0.81 0.57 0.02 -1.48 -2.76 113.55 110.31 1b4k h SER 153 Ca 0.10 -0.32 0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1b4k h SER 153 Cb 0.51 -0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.77 1b4k h SER 153 CO 0.03 0.85 0.41 0.40 -1.14 0.00 0.00 176.83 177.38 1b4k h ILE 154 N 0.53 0.75 -1.00 3.27 2.04 -0.69 -0.62 117.51 121.79 1b4k h ILE 154 Ca 0.11 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1b4k h ILE 154 Cb 0.51 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1b4k h ILE 154 CO 0.02 0.11 0.64 0.44 0.00 0.00 0.00 178.15 179.36 1b4k h ASP 155 N 0.61 0.98 0.16 1.72 3.32 -1.11 0.96 116.42 123.06 1b4k h ASP 155 Ca 0.43 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.31 1b4k h ASP 155 Cb 0.58 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1b4k h ASP 155 CO -0.34 0.57 -0.77 0.58 -1.72 0.00 0.00 179.24 177.56 1b4k h VAL 156 N 1.08 1.35 -0.35 -1.35 2.07 -1.11 -2.73 116.25 115.21 1b4k h VAL 156 Ca 0.47 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1b4k h VAL 156 Cb 0.34 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1b4k h VAL 156 CO -0.22 0.65 -0.03 -0.07 0.02 0.00 0.00 177.57 177.92 1b4k h LEU 157 N 0.34 0.53 -0.44 2.57 -0.00 -0.39 -0.57 115.31 117.35 1b4k h LEU 157 Ca -0.04 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.61 1b4k h LEU 157 Cb 1.36 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1b4k h LEU 157 CO 0.14 0.62 -0.19 0.58 -0.00 0.00 0.00 178.44 179.59 1b4k h VAL 158 N 0.53 1.27 -0.66 1.22 2.07 -0.75 0.10 116.25 120.03 1b4k h VAL 158 Ca 0.11 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1b4k h VAL 158 Cb 0.38 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1b4k h VAL 158 CO 0.02 0.45 0.31 0.03 0.02 0.00 0.00 177.57 178.40 1b4k h ARG 159 N 0.73 0.95 0.13 1.57 3.08 -1.08 -0.48 114.38 119.27 1b4k h ARG 159 Ca 0.10 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1b4k h ARG 159 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1b4k h ARG 159 CO 0.06 0.76 -0.14 0.37 -1.07 0.00 0.00 179.97 179.95 1b4k h GLN 160 N 0.91 -0.29 -0.84 0.04 4.15 -0.94 -1.24 115.11 116.90 1b4k h GLN 160 Ca 0.23 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1b4k h GLN 160 Cb 0.13 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1b4k h GLN 160 CO -0.03 -0.19 0.51 0.00 -1.93 0.00 0.00 178.83 177.18 1b4k h ALA 161 N 0.54 1.08 -0.94 3.38 0.00 -0.45 -1.34 119.26 121.53 1b4k h ALA 161 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1b4k h ALA 161 Cb 0.30 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1b4k h ALA 161 CO -0.05 0.54 0.56 -0.07 0.00 0.00 0.00 179.25 180.23 1b4k h LEU 162 N 1.16 1.13 -1.10 0.00 3.38 -0.92 -1.38 115.31 117.60 1b4k h LEU 162 Ca 0.30 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1b4k h LEU 162 Cb -0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1b4k h LEU 162 CO -0.06 0.87 0.28 0.77 0.09 0.00 0.00 178.44 180.40 1b4k h SER 163 N 1.29 0.84 -0.43 -0.43 4.64 -0.39 0.02 113.55 119.08 1b4k h SER 163 Ca 0.34 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1b4k h SER 163 Cb -0.05 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1b4k h SER 163 CO -0.06 0.73 -0.16 0.45 -0.87 0.00 0.00 176.83 176.91 1b4k h HIS 164 N 0.91 1.03 -0.63 4.77 3.86 -0.73 -1.84 115.15 122.53 1b4k h HIS 164 Ca 0.22 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1b4k h HIS 164 Cb 0.13 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1b4k h HIS 164 CO 0.01 1.00 0.18 0.00 0.86 0.00 0.00 177.93 179.99 1b4k h ALA 165 N 1.00 0.82 -0.39 2.45 0.00 -0.83 -1.94 119.26 120.37 1b4k h ALA 165 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1b4k h ALA 165 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1b4k h ALA 165 CO 0.05 0.50 0.14 0.93 0.00 0.00 0.00 179.25 180.88 1b4k h GLU 166 N 0.90 0.56 0.00 0.00 5.08 -0.86 -1.22 114.58 119.03 1b4k h GLU 166 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1b4k h GLU 166 Cb 0.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1b4k h GLU 166 CO -0.00 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 1b4k n ALA 167 N -2.47 1.88 0.00 3.43 0.00 -0.70 -4.90 120.51 117.74 1b4k n ALA 167 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1b4k n ALA 167 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1b4k n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4k n GLY 168 N 0.48 1.00 3.77 0.00 0.00 -0.46 -3.81 105.19 106.17 1b4k n GLY 168 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1b4k n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4k s ALA 169 N -2.00 3.57 -0.12 4.61 0.00 -0.78 -4.88 121.76 122.17 1b4k s ALA 169 Ca 0.00 1.41 0.14 0.00 0.00 0.00 0.00 51.96 53.52 1b4k s ALA 169 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1b4k s ALA 169 CO 0.00 -0.84 1.33 1.96 0.00 0.00 0.00 175.76 178.21 1b4k h GLN 170 N 3.70 0.00 -3.99 0.00 7.50 -1.89 -3.43 115.11 116.99 1b4k h GLN 170 Ca -0.49 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.32 1b4k h GLN 170 Cb 1.23 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.44 1b4k h GLN 170 CO 0.69 0.53 -0.75 0.08 -1.50 0.00 0.00 178.83 177.88 1b4k s VAL 171 N -2.92 0.32 -0.06 -0.54 1.01 -1.08 -0.58 120.40 116.55 1b4k s VAL 171 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1b4k s VAL 171 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1b4k s VAL 171 CO 0.76 0.14 -0.11 0.68 0.00 0.00 0.00 175.10 176.57 1b4k s VAL 172 N 0.52 3.30 -0.34 2.92 -7.23 -0.22 -1.47 120.40 117.88 1b4k s VAL 172 Ca -0.06 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1b4k s VAL 172 Cb -0.09 -2.32 0.10 0.00 0.56 0.00 0.00 36.38 34.63 1b4k s VAL 172 CO -0.01 0.59 0.08 0.00 -0.31 0.00 0.00 175.10 175.45 1b4k s ALA 173 N -0.68 2.43 -0.33 1.32 0.00 0.84 -1.65 121.76 123.69 1b4k s ALA 173 Ca 0.10 -2.28 -0.29 0.00 0.00 0.00 0.00 51.96 49.50 1b4k s ALA 173 Cb -0.11 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1b4k s ALA 173 CO 0.01 -1.70 1.56 -2.14 0.00 0.00 0.00 175.76 173.49 1b4k s PRO 174 N 1.08 3.61 -0.10 0.00 0.02 -1.23 -1.45 135.00 136.93 1b4k s PRO 174 Ca 0.11 1.30 0.15 0.00 0.02 0.00 0.00 61.00 62.58 1b4k s PRO 174 Cb -0.19 -4.06 0.53 0.00 0.02 0.00 0.00 34.50 30.80 1b4k s PRO 174 CO -0.13 -1.52 1.44 -1.13 -0.33 0.00 0.00 177.00 175.33 1b4k n SER 175 N 8.99 3.91 0.07 2.53 3.41 -0.42 -2.09 113.62 130.01 1b4k n SER 175 Ca 0.19 -2.52 -0.03 0.00 -0.26 0.00 0.00 58.87 56.25 1b4k n SER 175 Cb 0.47 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1b4k n SER 175 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1b4k h ASP 176 N 2.63 0.00 -2.73 4.04 2.03 -1.89 -3.49 116.42 117.01 1b4k h ASP 176 Ca 0.00 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.99 1b4k h ASP 176 Cb 1.24 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.75 1b4k h ASP 176 CO 0.16 0.75 -0.42 0.23 -1.03 0.00 0.00 179.24 178.93 1b4k n MET 177 N -3.16 -2.27 -3.17 4.15 2.81 -1.26 -4.90 117.12 109.32 1b4k n MET 177 Ca -0.04 0.72 -0.35 0.00 -1.81 0.00 0.00 57.70 56.22 1b4k n MET 177 Cb 0.87 -5.09 -0.06 0.00 -0.71 0.00 0.00 33.22 28.24 1b4k n MET 177 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1b4k s MET 178 N -5.04 4.12 0.40 0.03 -1.94 -1.26 -4.74 119.30 110.87 1b4k s MET 178 Ca 0.10 0.73 -0.25 0.00 -1.71 0.00 0.00 55.69 54.55 1b4k s MET 178 Cb -0.04 -2.76 -0.08 0.00 2.01 0.00 0.00 34.83 33.95 1b4k s MET 178 CO 0.12 0.34 1.20 -0.51 -0.01 0.00 0.00 175.02 176.16 1b4k s ASP 179 N -1.86 6.46 0.00 3.03 1.01 -1.26 -3.55 116.67 120.51 1b4k s ASP 179 Ca 0.45 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1b4k s ASP 179 Cb -0.14 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1b4k s ASP 179 CO 0.20 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.47 1b4k n GLY 180 N 0.65 0.56 0.15 0.21 0.00 -1.26 -4.88 105.19 100.61 1b4k n GLY 180 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1b4k n GLY 180 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b4k h ARG 181 N 1.62 0.00 -0.39 1.61 -0.00 -1.98 -2.85 114.38 112.38 1b4k h ARG 181 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 59.99 1b4k h ARG 181 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.02 1b4k h ARG 181 CO 0.00 0.54 0.24 0.82 -0.00 0.00 0.00 179.97 181.57 1b4k h ILE 182 N 0.00 1.07 -0.32 0.08 1.08 -1.90 -0.20 117.51 117.32 1b4k h ILE 182 Ca -0.01 -0.17 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1b4k h ILE 182 Cb 0.99 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 1b4k h ILE 182 CO 0.07 0.09 -0.19 1.23 -0.69 0.00 0.00 178.15 178.66 1b4k h GLY 183 N 0.50 0.64 0.87 5.37 0.00 -1.63 0.10 103.07 108.90 1b4k h GLY 183 Ca 0.15 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1b4k h GLY 183 CO -0.06 0.46 0.04 0.00 0.00 0.00 0.00 176.54 176.98 1b4k h ALA 184 N 1.26 0.35 -0.58 3.60 0.00 -1.28 -0.87 119.26 121.75 1b4k h ALA 184 Ca 0.08 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1b4k h ALA 184 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1b4k h ALA 184 CO 0.04 0.04 0.06 0.82 0.00 0.00 0.00 179.25 180.21 1b4k h ILE 185 N 0.25 1.26 -0.30 0.00 2.04 -0.83 -2.07 117.51 117.85 1b4k h ILE 185 Ca 0.08 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1b4k h ILE 185 Cb 0.35 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1b4k h ILE 185 CO 0.01 0.38 0.17 -0.09 0.00 0.00 0.00 178.15 178.62 1b4k h ARG 186 N 0.88 0.42 -0.94 2.37 9.65 -0.83 -0.12 114.38 125.81 1b4k h ARG 186 Ca 0.17 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.05 1b4k h ARG 186 Cb 0.47 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.91 1b4k h ARG 186 CO 0.02 0.34 0.60 0.93 2.80 0.00 0.00 179.97 184.67 1b4k h GLU 187 N 0.38 1.11 -0.44 0.20 5.08 -1.11 0.23 114.58 120.03 1b4k h GLU 187 Ca 0.11 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1b4k h GLU 187 Cb 0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1b4k h GLU 187 CO -0.02 0.73 -0.28 0.00 -1.00 0.00 0.00 179.01 178.45 1b4k h ALA 188 N 1.40 0.67 -0.40 3.43 0.00 -0.92 0.42 119.26 123.86 1b4k h ALA 188 Ca 0.39 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1b4k h ALA 188 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1b4k h ALA 188 CO -0.14 0.67 0.06 -0.07 0.00 0.00 0.00 179.25 179.78 1b4k h LEU 189 N 0.80 0.64 -0.31 0.00 3.38 -0.63 -1.89 115.31 117.30 1b4k h LEU 189 Ca 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1b4k h LEU 189 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1b4k h LEU 189 CO 0.08 0.74 0.12 -0.33 0.09 0.00 0.00 178.44 179.13 1b4k h GLU 190 N 0.51 0.47 -0.55 1.13 4.39 -0.84 0.17 114.58 119.87 1b4k h GLU 190 Ca 0.12 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1b4k h GLU 190 Cb 0.37 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1b4k h GLU 190 CO 0.01 0.49 0.36 0.77 -1.16 0.00 0.00 179.01 179.48 1b4k h SER 191 N 0.36 0.61 0.16 1.42 0.02 -0.82 -1.70 113.55 113.60 1b4k h SER 191 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1b4k h SER 191 Cb 0.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1b4k h SER 191 CO -0.01 0.44 -0.04 0.00 -1.14 0.00 0.00 176.83 176.08 1b4k n ALA 192 N -2.46 2.68 -0.59 3.77 0.00 -0.72 -4.92 120.51 118.28 1b4k n ALA 192 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1b4k n ALA 192 Cb 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1b4k n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4k n GLY 193 N 1.16 0.73 2.57 0.00 0.00 -0.64 -4.96 105.19 104.05 1b4k n GLY 193 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1b4k n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b4k n HIS 194 N -2.43 2.77 -0.27 1.61 8.25 0.56 -4.75 115.22 120.96 1b4k n HIS 194 Ca 0.00 -2.91 0.05 0.00 -0.26 0.00 0.00 57.72 54.60 1b4k n HIS 194 Cb 0.00 -2.14 0.27 0.00 1.12 0.00 0.00 29.99 29.25 1b4k n HIS 194 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1b4k h THR 195 N 3.18 1.05 -0.45 1.59 2.02 -1.88 -2.94 112.91 115.48 1b4k h THR 195 Ca 0.65 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1b4k h THR 195 Cb 0.43 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1b4k h THR 195 CO 1.65 0.17 0.00 0.59 0.37 0.00 0.00 175.52 178.31 1b4k n ASN 196 N -4.49 3.20 -4.66 4.18 3.02 -1.26 -4.93 115.26 110.32 1b4k n ASN 196 Ca 0.13 -2.01 -0.43 0.00 -0.03 0.00 0.00 54.58 52.25 1b4k n ASN 196 Cb 0.22 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1b4k n ASN 196 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b4k s VAL 197 N -1.01 3.88 0.43 2.41 1.01 -1.11 -4.94 120.40 121.07 1b4k s VAL 197 Ca 0.30 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 1b4k s VAL 197 Cb 0.16 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 1b4k s VAL 197 CO 0.20 -0.10 0.96 -0.13 0.00 0.00 0.00 175.10 176.04 1b4k s ARG 198 N 3.82 4.18 -0.25 2.72 3.00 0.25 -4.92 118.95 127.75 1b4k s ARG 198 Ca 0.65 1.17 -0.01 0.00 0.00 0.00 0.00 55.73 57.54 1b4k s ARG 198 Cb -0.28 -2.20 0.03 0.00 0.00 0.00 0.00 34.95 32.51 1b4k s ARG 198 CO 0.23 -0.08 -0.06 0.42 0.00 0.00 0.00 175.30 175.81 1b4k s ILE 199 N -2.12 2.77 -0.68 1.52 1.09 -1.26 -1.06 121.20 121.46 1b4k s ILE 199 Ca 0.62 -1.14 -0.16 0.00 -1.10 0.00 0.00 60.65 58.87 1b4k s ILE 199 Cb -0.11 -2.45 0.15 0.00 -1.06 0.00 0.00 42.46 38.99 1b4k s ILE 199 CO 0.15 0.14 0.70 -0.32 -0.10 0.00 0.00 174.94 175.51 1b4k s MET 200 N 1.29 3.25 0.15 2.79 1.75 -0.66 -1.23 119.30 126.63 1b4k s MET 200 Ca -0.01 -1.84 -0.30 0.00 -1.25 0.00 0.00 55.69 52.29 1b4k s MET 200 Cb -0.17 -4.39 -0.07 0.00 2.84 0.00 0.00 34.83 33.04 1b4k s MET 200 CO -0.04 -1.42 1.05 0.00 -0.65 0.00 0.00 175.02 173.96 1b4k s ALA 201 N 1.56 3.33 -0.78 4.11 0.00 -0.37 -3.47 121.76 126.14 1b4k s ALA 201 Ca 0.13 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 1b4k s ALA 201 Cb -0.20 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1b4k s ALA 201 CO -0.01 -0.15 1.16 0.71 0.00 0.00 0.00 175.76 177.47 1b4k s TYR 202 N -0.09 2.61 -0.16 0.00 1.51 -0.89 -1.08 117.35 119.24 1b4k s TYR 202 Ca 0.49 -0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 55.80 1b4k s TYR 202 Cb -0.27 -4.45 -0.12 0.00 -0.11 0.00 0.00 41.96 37.01 1b4k s TYR 202 CO 0.33 -1.79 0.11 0.77 -1.11 0.00 0.00 175.55 173.86 1b4k h SER 203 N 9.62 0.00 -3.71 2.29 0.02 -1.57 -3.42 113.55 116.78 1b4k h SER 203 Ca -0.14 -0.33 -0.71 0.00 -0.84 0.00 0.00 61.79 59.78 1b4k h SER 203 Cb 1.05 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.24 1b4k h SER 203 CO 1.24 1.07 -0.18 0.00 -1.14 0.00 0.00 176.83 177.81 1b4k s ALA 204 N -2.50 3.98 -0.24 3.77 0.00 -0.84 -4.65 121.76 121.28 1b4k s ALA 204 Ca -0.20 -3.59 -0.04 0.00 0.00 0.00 0.00 51.96 48.14 1b4k s ALA 204 Cb 0.03 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1b4k s ALA 204 CO 0.41 -2.15 -0.02 0.21 0.00 0.00 0.00 175.76 174.21 1b4k s LYS 205 N -0.75 3.20 0.31 0.00 2.20 -1.26 -1.60 119.74 121.84 1b4k s LYS 205 Ca 0.23 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 55.04 1b4k s LYS 205 Cb -0.13 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1b4k s LYS 205 CO -0.09 -0.29 0.58 0.71 -0.36 0.00 0.00 175.35 175.90 1b4k s TYR 206 N 1.45 3.48 -0.95 4.03 1.51 -0.04 -1.22 117.35 125.61 1b4k s TYR 206 Ca 0.04 0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 56.51 1b4k s TYR 206 Cb -0.15 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1b4k s TYR 206 CO -0.03 0.13 1.46 0.00 -1.11 0.00 0.00 175.55 176.01 1b4k s ALA 207 N -2.14 2.64 0.27 3.71 0.00 0.69 -4.64 121.76 122.29 1b4k s ALA 207 Ca 0.44 -2.00 0.11 0.00 0.00 0.00 0.00 51.96 50.51 1b4k s ALA 207 Cb -0.11 -4.47 -0.05 0.00 0.00 0.00 0.00 23.12 18.49 1b4k s ALA 207 CO 0.31 -3.64 -0.13 0.45 0.00 0.00 0.00 175.76 172.75 1b4k s SER 208 N 5.00 3.93 0.00 0.00 0.15 -1.26 -4.67 113.70 116.85 1b4k s SER 208 Ca 0.46 -0.88 0.26 0.00 0.70 0.00 0.00 55.95 56.48 1b4k s SER 208 Cb -0.02 -0.50 0.63 0.00 -1.71 0.00 0.00 66.02 64.43 1b4k s SER 208 CO -0.04 0.03 1.50 0.00 1.20 0.00 0.00 173.24 175.93 1b4k n ALA 209 N -0.67 3.34 1.51 5.45 0.00 -1.26 -4.10 120.51 124.78 1b4k n ALA 209 Ca -0.06 -0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1b4k n ALA 209 Cb 0.59 -1.15 0.73 0.00 0.00 0.00 0.00 19.45 19.62 1b4k n ALA 209 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b4k n TYR 210 N -1.30 0.00 1.51 0.00 4.01 -1.26 -3.38 117.16 116.74 1b4k n TYR 210 Ca 0.07 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.95 1b4k n TYR 210 Cb 0.34 -0.08 0.56 0.00 -0.31 0.00 0.00 39.34 39.85 1b4k n TYR 210 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1b4k n TYR 211 N -1.08 0.00 -0.18 -0.72 4.01 -1.26 -0.42 117.16 117.51 1b4k n TYR 211 Ca 0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.81 1b4k n TYR 211 Cb 0.12 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 1b4k n TYR 211 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1b4k h GLY 212 N 4.89 -0.70 1.38 2.72 0.00 -1.87 -2.31 103.07 107.18 1b4k h GLY 212 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 47.33 47.99 1b4k h GLY 212 CO 0.00 -0.14 0.36 -2.55 0.00 0.00 0.00 176.54 174.21 1b4k h PRO 213 N -0.30 0.63 -0.75 4.80 0.11 -1.88 -1.87 132.00 132.75 1b4k h PRO 213 Ca 0.13 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 1b4k h PRO 213 Cb 0.57 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1b4k h PRO 213 CO -0.65 0.42 0.32 0.35 -0.21 0.00 0.00 178.00 178.23 1b4k h PHE 214 N 0.65 1.10 -0.24 0.65 3.04 -1.75 0.10 116.94 120.49 1b4k h PHE 214 Ca 0.22 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1b4k h PHE 214 Cb 0.06 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1b4k h PHE 214 CO -0.00 0.82 -0.03 0.00 -2.02 0.00 0.00 178.31 177.08 1b4k h ARG 215 N 1.07 0.37 -0.08 1.11 3.08 -1.14 0.21 114.38 119.00 1b4k h ARG 215 Ca 0.25 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1b4k h ARG 215 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1b4k h ARG 215 CO -0.03 0.42 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.75 1b4k h ASP 216 N 0.36 0.22 -0.61 7.04 3.32 -1.17 -1.88 116.42 123.70 1b4k h ASP 216 Ca 0.08 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.67 1b4k h ASP 216 Cb 0.28 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1b4k h ASP 216 CO 0.01 0.68 0.34 0.00 -1.72 0.00 0.00 179.24 178.55 1b4k h ALA 217 N 0.55 0.80 0.00 3.45 0.00 -0.10 -2.90 119.26 121.07 1b4k h ALA 217 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b4k h ALA 217 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b4k h ALA 217 CO 0.02 0.03 -0.47 1.33 0.00 0.00 0.00 179.25 180.16 1b4k n VAL 218 N -4.79 0.33 -0.69 0.00 0.24 -0.03 -4.92 118.33 108.47 1b4k n VAL 218 Ca 0.07 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1b4k n VAL 218 Cb 0.14 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1b4k n VAL 218 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b4k n GLY 219 N 1.36 0.57 0.01 7.63 0.00 -0.81 -4.13 105.19 109.83 1b4k n GLY 219 Ca 0.04 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1b4k n GLY 219 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b4k n SER 220 N 1.35 0.72 -0.10 1.61 3.41 -0.77 -4.59 113.62 115.25 1b4k n SER 220 Ca 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 58.87 58.01 1b4k n SER 220 Cb 0.00 0.79 0.01 0.00 -0.26 0.00 0.00 64.21 64.75 1b4k n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4k h ALA 221 N 2.83 0.23 0.00 7.33 0.00 -1.75 -0.70 119.26 127.20 1b4k h ALA 221 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1b4k h ALA 221 Cb 0.58 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1b4k h ALA 221 CO 0.00 -0.46 -0.44 0.66 0.00 0.00 0.00 179.25 179.01 1b4k h SER 222 N -0.00 0.00 -0.18 0.00 4.64 -1.87 -0.78 113.55 115.35 1b4k h SER 222 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1b4k h SER 222 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1b4k h SER 222 CO -0.37 0.44 -0.18 0.78 -0.87 0.00 0.00 176.83 176.63 1b4k h ASN 223 N 0.00 0.47 0.06 4.97 2.35 -1.62 -3.21 115.58 118.60 1b4k h ASN 223 Ca -0.00 -0.48 -0.13 0.00 -0.55 0.00 0.00 56.30 55.13 1b4k h ASN 223 Cb 0.84 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1b4k h ASN 223 CO 0.06 0.85 -0.45 0.25 -1.65 0.00 0.00 177.43 176.49 1b4k h LEU 224 N 0.09 0.50 0.00 1.61 5.85 -1.05 -3.39 115.31 118.92 1b4k h LEU 224 Ca 0.03 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1b4k h LEU 224 Cb 0.72 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1b4k h LEU 224 CO 0.04 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 179.64 1b4k n GLY 225 N 0.03 3.55 1.21 3.75 0.00 -0.31 -1.27 105.19 112.15 1b4k n GLY 225 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1b4k n GLY 225 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4k n LYS 226 N 14.00 2.94 -0.95 1.61 4.76 -1.26 -4.97 118.16 134.28 1b4k n LYS 226 Ca 0.00 -2.04 -0.31 0.00 -2.87 0.00 0.00 58.31 53.08 1b4k n LYS 226 Cb 0.00 -1.71 0.14 0.00 -1.84 0.00 0.00 35.03 31.62 1b4k n LYS 226 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1b4k s GLY 227 N -0.79 1.76 0.24 0.72 0.00 -0.40 -5.06 107.32 103.79 1b4k s GLY 227 Ca 0.37 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.64 1b4k s GLY 227 CO 0.18 0.92 0.02 0.54 0.00 0.00 0.00 173.10 174.76 1b4k s ASN 228 N -2.82 1.76 -0.18 1.64 2.20 -1.26 -5.07 114.94 111.21 1b4k s ASN 228 Ca 0.66 -1.26 0.14 0.00 -0.94 0.00 0.00 52.86 51.46 1b4k s ASN 228 Cb -0.22 0.03 0.43 0.00 -2.00 0.00 0.00 41.25 39.49 1b4k s ASN 228 CO 0.56 -0.56 1.20 0.29 -2.94 0.00 0.00 177.10 175.65 1b4k n LYS 229 N -0.44 1.59 0.20 3.55 5.02 -1.26 -4.83 118.16 121.98 1b4k n LYS 229 Ca -0.04 -3.19 0.14 0.00 -2.02 0.00 0.00 58.31 53.20 1b4k n LYS 229 Cb 0.64 -1.40 0.64 0.00 -0.02 0.00 0.00 35.03 34.90 1b4k n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b4k h ALA 230 N 1.26 1.00 -0.00 7.82 0.00 -1.97 0.91 119.26 128.28 1b4k h ALA 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b4k h ALA 230 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1b4k h ALA 230 CO 0.14 0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.62 1b4k n THR 231 N -2.55 0.00 0.00 0.00 -2.24 -1.26 -4.52 114.28 103.71 1b4k n THR 231 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1b4k n THR 231 Cb 0.19 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1b4k n THR 231 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4k n TYR 232 N -0.72 0.00 -2.10 4.78 4.11 -0.69 -5.07 117.16 117.48 1b4k n TYR 232 Ca 0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.78 1b4k n TYR 232 Cb 0.21 0.18 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 1b4k n TYR 232 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1b4k s GLN 233 N -1.39 3.42 0.50 -3.48 -0.21 0.23 -4.91 119.66 113.82 1b4k s GLN 233 Ca 0.00 1.15 -0.19 0.00 0.02 0.00 0.00 55.36 56.34 1b4k s GLN 233 Cb 0.00 -2.05 -0.08 0.00 1.00 0.00 0.00 33.01 31.88 1b4k s GLN 233 CO 0.00 -0.72 1.02 -1.64 -2.12 0.00 0.00 175.29 171.83 1b4k s MET 234 N -4.10 3.82 0.03 2.91 -1.94 -0.35 -4.40 119.30 115.27 1b4k s MET 234 Ca 0.63 1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 55.55 1b4k s MET 234 Cb -0.15 -2.11 -0.06 0.00 2.01 0.00 0.00 34.83 34.52 1b4k s MET 234 CO 0.36 -0.40 1.45 0.34 -0.01 0.00 0.00 175.02 176.77 1b4k s ASP 235 N -2.27 6.80 0.63 3.03 -1.08 -1.26 -0.22 116.67 122.30 1b4k s ASP 235 Ca 0.65 2.23 0.28 0.00 -0.52 0.00 0.00 52.55 55.18 1b4k s ASP 235 Cb -0.14 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.23 1b4k s ASP 235 CO 0.22 -0.74 1.87 -0.65 0.52 0.00 0.00 175.17 176.39 1b4k h PRO 236 N 7.75 0.00 0.00 4.34 0.11 -1.95 -1.19 132.00 141.06 1b4k h PRO 236 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1b4k h PRO 236 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b4k h PRO 236 CO 0.90 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1b4k h ALA 237 N 1.34 1.00 -3.15 -0.75 0.00 -1.99 -3.45 119.26 112.25 1b4k h ALA 237 Ca 0.12 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.43 1b4k h ALA 237 Cb 1.01 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1b4k h ALA 237 CO -0.00 0.00 -0.38 -0.80 0.00 0.00 0.00 179.25 178.07 1b4k s ASN 238 N -5.66 6.36 -0.09 0.00 0.01 -0.45 -4.97 114.94 110.14 1b4k s ASN 238 Ca 0.03 0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 52.56 1b4k s ASN 238 Cb 0.08 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1b4k s ASN 238 CO 0.57 0.13 -0.12 -0.24 -1.51 0.00 0.00 177.10 175.93 1b4k n SER 239 N 3.54 0.67 -0.18 -1.22 2.88 -1.26 -4.55 113.62 113.50 1b4k n SER 239 Ca -0.13 0.12 0.09 0.00 -1.33 0.00 0.00 58.87 57.61 1b4k n SER 239 Cb 0.52 -0.28 0.39 0.00 -0.75 0.00 0.00 64.21 64.09 1b4k n SER 239 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1b4k h ASP 240 N -0.33 0.60 -0.08 -3.46 3.32 -2.02 -1.55 116.42 112.90 1b4k h ASP 240 Ca -0.23 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1b4k h ASP 240 Cb 1.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1b4k h ASP 240 CO -0.14 0.37 0.03 -0.08 -1.72 0.00 0.00 179.24 177.70 1b4k h GLU 241 N 0.67 0.16 -0.06 3.56 4.81 -1.99 -0.76 114.58 120.97 1b4k h GLU 241 Ca 0.33 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1b4k h GLU 241 Cb 0.41 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1b4k h GLU 241 CO -0.12 0.15 -0.19 0.00 -0.73 0.00 0.00 179.01 178.12 1b4k h ALA 242 N 1.88 1.58 -0.40 2.92 0.00 -1.52 -1.96 119.26 121.77 1b4k h ALA 242 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1b4k h ALA 242 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1b4k h ALA 242 CO -0.00 0.31 -0.20 -0.07 0.00 0.00 0.00 179.25 179.29 1b4k h LEU 243 N 0.08 0.77 -0.92 0.00 -0.00 -1.19 -1.20 115.31 112.87 1b4k h LEU 243 Ca 0.02 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.88 57.53 1b4k h LEU 243 Cb 0.39 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1b4k h LEU 243 CO 0.03 0.96 -0.29 0.45 -0.00 0.00 0.00 178.44 179.59 1b4k h HIS 244 N 0.68 0.52 -0.14 1.13 3.86 -1.37 -0.68 115.15 119.14 1b4k h HIS 244 Ca 0.10 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1b4k h HIS 244 Cb 0.70 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1b4k h HIS 244 CO 0.04 0.70 0.02 0.93 0.86 0.00 0.00 177.93 180.47 1b4k h GLU 245 N 0.40 0.24 -0.61 2.45 4.39 -1.05 -2.48 114.58 117.92 1b4k h GLU 245 Ca 0.05 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1b4k h GLU 245 Cb 0.71 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1b4k h GLU 245 CO 0.05 0.43 -0.00 0.28 -1.16 0.00 0.00 179.01 178.61 1b4k h VAL 246 N 0.01 1.27 -0.61 3.13 2.07 -1.14 -2.24 116.25 118.73 1b4k h VAL 246 Ca 0.04 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1b4k h VAL 246 Cb 0.31 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1b4k h VAL 246 CO 0.00 0.42 0.36 0.00 0.02 0.00 0.00 177.57 178.38 1b4k h ALA 247 N 0.99 0.79 -0.50 1.67 0.00 -1.02 -0.64 119.26 120.54 1b4k h ALA 247 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1b4k h ALA 247 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1b4k h ALA 247 CO 0.03 0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.63 1b4k h ALA 248 N 1.28 0.64 -0.38 0.00 0.00 -1.32 -1.46 119.26 118.03 1b4k h ALA 248 Ca 0.25 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1b4k h ALA 248 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1b4k h ALA 248 CO -0.13 0.16 -0.08 -0.44 0.00 0.00 0.00 179.25 178.76 1b4k h ASP 249 N 0.67 0.64 -0.37 0.00 3.32 -0.78 -0.20 116.42 119.70 1b4k h ASP 249 Ca 0.18 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1b4k h ASP 249 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1b4k h ASP 249 CO -0.03 0.76 0.04 -0.07 -1.72 0.00 0.00 179.24 178.23 1b4k h LEU 250 N 0.61 0.60 -1.57 1.55 -0.00 -1.01 -1.31 115.31 114.18 1b4k h LEU 250 Ca 0.11 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.88 57.68 1b4k h LEU 250 Cb 0.51 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1b4k h LEU 250 CO 0.03 0.73 -0.11 0.00 -0.00 0.00 0.00 178.44 179.09 1b4k h ALA 251 N 0.90 1.65 0.00 1.53 0.00 -0.95 -1.72 119.26 120.67 1b4k h ALA 251 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b4k h ALA 251 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1b4k h ALA 251 CO 0.01 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.91 1b4k n GLU 252 N -4.33 0.35 0.00 0.00 1.02 -0.11 -4.90 120.64 112.66 1b4k n GLU 252 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1b4k n GLU 252 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1b4k n GLU 252 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4k n GLY 253 N 1.22 1.30 3.77 0.62 0.00 -0.64 -3.85 105.19 107.60 1b4k n GLY 253 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1b4k n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4k s ALA 254 N -2.00 3.34 -0.18 4.61 0.00 -0.53 -4.83 121.76 122.17 1b4k s ALA 254 Ca 0.00 1.37 0.19 0.00 0.00 0.00 0.00 51.96 53.52 1b4k s ALA 254 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1b4k s ALA 254 CO 0.00 -0.95 1.02 -0.44 0.00 0.00 0.00 175.76 175.39 1b4k h ASP 255 N 2.73 0.00 -4.60 0.00 3.32 -1.52 -3.45 116.42 112.89 1b4k h ASP 255 Ca -0.50 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 1b4k h ASP 255 Cb 1.25 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.57 1b4k h ASP 255 CO 0.63 0.34 -0.58 -0.04 -1.72 0.00 0.00 179.24 177.87 1b4k s MET 256 N -3.09 0.33 0.06 3.56 -1.94 -1.14 -4.59 119.30 112.48 1b4k s MET 256 Ca -0.01 -0.28 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 1b4k s MET 256 Cb 0.09 0.13 -0.03 0.00 2.01 0.00 0.00 34.83 37.03 1b4k s MET 256 CO 0.79 -0.07 -0.21 0.14 -0.01 0.00 0.00 175.02 175.66 1b4k s VAL 257 N -0.95 1.73 0.05 -6.03 -7.23 -0.67 -1.23 120.40 106.07 1b4k s VAL 257 Ca -0.10 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1b4k s VAL 257 Cb -0.06 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1b4k s VAL 257 CO 0.00 0.17 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.51 1b4k s MET 258 N -1.33 0.91 -0.11 4.82 1.75 -0.24 -0.55 119.30 124.54 1b4k s MET 258 Ca 0.08 -0.80 -0.03 0.00 -1.25 0.00 0.00 55.69 53.69 1b4k s MET 258 Cb -0.09 -0.92 -0.03 0.00 2.84 0.00 0.00 34.83 36.63 1b4k s MET 258 CO 0.02 0.22 -0.00 0.08 -0.65 0.00 0.00 175.02 174.69 1b4k s VAL 259 N -0.95 4.28 -0.20 10.11 1.01 -0.51 -1.45 120.40 132.69 1b4k s VAL 259 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1b4k s VAL 259 Cb -0.08 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.53 1b4k s VAL 259 CO 0.01 0.57 0.50 -0.75 0.00 0.00 0.00 175.10 175.44 1b4k s LYS 260 N -0.52 0.55 0.15 2.72 2.20 -0.62 -1.93 119.74 122.28 1b4k s LYS 260 Ca 0.09 0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1b4k s LYS 260 Cb -0.12 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1b4k s LYS 260 CO 0.02 -0.11 0.09 -2.30 -0.36 0.00 0.00 175.35 172.70 1b4k n PRO 261 N 3.42 -2.22 0.00 4.03 -0.02 -1.26 -0.86 135.00 138.09 1b4k n PRO 261 Ca -0.17 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1b4k n PRO 261 Cb 0.56 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1b4k n PRO 261 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4k n GLY 262 N -0.43 -0.23 0.36 -1.23 0.00 -0.34 -4.50 105.19 98.82 1b4k n GLY 262 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1b4k n GLY 262 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1b4k h MET 263 N 0.00 0.85 0.00 1.61 1.85 -1.96 -0.10 114.93 117.17 1b4k h MET 263 Ca 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1b4k h MET 263 Cb 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 31.84 1b4k h MET 263 CO 0.00 0.56 0.00 -2.30 -0.40 0.00 0.00 176.91 174.77 1b4k n PRO 264 N -4.49 0.15 -0.96 0.39 -0.02 -1.26 -2.98 135.00 125.83 1b4k n PRO 264 Ca 0.12 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 1b4k n PRO 264 Cb 0.23 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.33 1b4k n PRO 264 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1b4k n TYR 265 N -1.37 0.00 0.15 6.00 4.01 -0.09 -4.87 117.16 120.99 1b4k n TYR 265 Ca 0.06 -1.03 0.06 0.00 -0.16 0.00 0.00 57.90 56.84 1b4k n TYR 265 Cb 0.16 -0.20 0.54 0.00 -0.31 0.00 0.00 39.34 39.53 1b4k n TYR 265 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1b4k h LEU 266 N 0.95 0.20 -1.25 7.72 3.38 -1.36 -0.06 115.31 124.90 1b4k h LEU 266 Ca -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1b4k h LEU 266 Cb 1.39 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1b4k h LEU 266 CO 0.04 0.16 0.29 -2.24 0.09 0.00 0.00 178.44 176.78 1b4k h ASP 267 N 0.24 0.72 -0.39 -0.43 2.03 -1.89 -1.96 116.42 114.74 1b4k h ASP 267 Ca 0.06 -0.06 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 1b4k h ASP 267 Cb 0.00 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.31 1b4k h ASP 267 CO -0.01 0.61 -0.34 0.40 -1.03 0.00 0.00 179.24 178.86 1b4k h ILE 268 N 0.81 1.27 -0.49 4.15 1.08 -1.41 -1.47 117.51 121.46 1b4k h ILE 268 Ca 0.20 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.20 1b4k h ILE 268 Cb 0.07 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1b4k h ILE 268 CO -0.03 0.51 0.25 0.58 -0.69 0.00 0.00 178.15 178.77 1b4k h VAL 269 N 0.73 0.97 -0.20 1.67 2.07 -1.13 -0.05 116.25 120.31 1b4k h VAL 269 Ca 0.07 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1b4k h VAL 269 Cb 0.93 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1b4k h VAL 269 CO 0.09 0.09 0.11 -0.09 0.02 0.00 0.00 177.57 177.79 1b4k h ARG 270 N 0.49 0.27 -0.78 1.57 9.65 -1.06 -0.95 114.38 123.58 1b4k h ARG 270 Ca 0.21 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1b4k h ARG 270 Cb 0.11 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1b4k h ARG 270 CO -0.14 0.26 0.28 0.00 2.80 0.00 0.00 179.97 183.17 1b4k h ARG 271 N 0.22 1.18 -0.35 0.20 3.08 -0.93 -1.51 114.38 116.26 1b4k h ARG 271 Ca 0.07 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1b4k h ARG 271 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1b4k h ARG 271 CO -0.01 0.97 0.04 0.28 -1.07 0.00 0.00 179.97 180.18 1b4k h VAL 272 N 1.14 1.24 -0.49 2.04 2.07 -0.78 -0.37 116.25 121.10 1b4k h VAL 272 Ca 0.26 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1b4k h VAL 272 Cb 0.25 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1b4k h VAL 272 CO -0.02 0.29 0.11 0.50 0.02 0.00 0.00 177.57 178.48 1b4k h LYS 273 N 0.42 0.78 -0.69 1.57 1.63 -1.10 -2.11 116.57 117.08 1b4k h LYS 273 Ca 0.10 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 1b4k h LYS 273 Cb 0.38 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 1b4k h LYS 273 CO 0.01 0.77 0.14 -0.44 -3.45 0.00 0.00 179.45 176.47 1b4k h ASP 274 N 0.67 1.07 -0.09 4.20 3.32 -1.03 -0.61 116.42 123.95 1b4k h ASP 274 Ca 0.15 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1b4k h ASP 274 Cb 0.34 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1b4k h ASP 274 CO 0.00 1.04 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.76 1b4k h GLU 275 N 1.05 0.48 0.00 3.56 4.39 -1.06 -3.39 114.58 119.60 1b4k h GLU 275 Ca 0.21 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1b4k h GLU 275 Cb 0.41 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1b4k h GLU 275 CO 0.01 1.03 -1.17 1.19 -1.16 0.00 0.00 179.01 178.91 1b4k n PHE 276 N -4.27 0.00 -4.03 4.33 3.72 -0.80 -5.01 117.46 111.40 1b4k n PHE 276 Ca -0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 1b4k n PHE 276 Cb 0.59 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 1b4k n PHE 276 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1b4k n ARG 277 N -1.67 -3.44 -4.51 -1.08 1.85 -0.24 -4.97 116.66 102.61 1b4k n ARG 277 Ca -0.00 0.41 -0.24 0.00 -1.00 0.00 0.00 57.85 57.02 1b4k n ARG 277 Cb 0.28 -4.77 -0.11 0.00 -1.05 0.00 0.00 32.46 26.82 1b4k n ARG 277 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1b4k s ALA 278 N -3.72 2.70 -0.06 2.89 0.00 -1.26 -5.06 121.76 117.25 1b4k s ALA 278 Ca 0.27 -2.08 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1b4k s ALA 278 Cb -0.14 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.11 1b4k s ALA 278 CO 0.90 -0.09 2.02 -2.14 0.00 0.00 0.00 175.76 176.45 1b4k s PRO 279 N -3.72 3.80 -0.12 0.00 0.02 -1.26 -4.92 135.00 128.79 1b4k s PRO 279 Ca 0.33 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.74 1b4k s PRO 279 Cb 0.06 -4.22 -0.00 0.00 0.02 0.00 0.00 34.50 30.36 1b4k s PRO 279 CO 0.15 -1.34 -0.21 0.99 -0.33 0.00 0.00 177.00 176.26 1b4k s THR 280 N 5.73 2.27 0.27 0.99 2.01 -1.26 -1.67 115.64 123.98 1b4k s THR 280 Ca 0.91 -0.94 0.12 0.00 0.31 0.00 0.00 61.69 62.09 1b4k s THR 280 Cb -0.38 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1b4k s THR 280 CO 0.38 0.55 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.31 1b4k s PHE 281 N 0.47 2.23 -0.02 4.92 0.40 0.28 -0.03 117.98 126.22 1b4k s PHE 281 Ca -0.14 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1b4k s PHE 281 Cb -0.17 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1b4k s PHE 281 CO 0.06 0.68 0.11 0.54 0.70 0.00 0.00 175.22 177.31 1b4k s VAL 282 N -2.54 0.05 -0.25 -0.44 0.11 -0.65 -1.42 120.40 115.25 1b4k s VAL 282 Ca 0.29 -0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1b4k s VAL 282 Cb -0.05 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1b4k s VAL 282 CO 0.14 -0.21 0.02 -0.47 -3.33 0.00 0.00 175.10 171.25 1b4k s TYR 283 N -0.69 3.05 -0.80 1.54 6.14 -0.81 -1.08 117.35 124.69 1b4k s TYR 283 Ca -0.08 -0.75 -0.23 0.00 0.64 0.00 0.00 57.07 56.65 1b4k s TYR 283 Cb -0.05 -2.18 0.07 0.00 0.42 0.00 0.00 41.96 40.22 1b4k s TYR 283 CO 0.01 -0.48 1.15 -1.14 0.64 0.00 0.00 175.55 175.72 1b4k s GLN 284 N 1.53 3.32 0.97 4.97 0.74 0.09 -1.20 119.66 130.09 1b4k s GLN 284 Ca 0.05 -0.97 -0.13 0.00 0.05 0.00 0.00 55.36 54.36 1b4k s GLN 284 Cb -0.15 -4.57 0.17 0.00 1.10 0.00 0.00 33.01 29.56 1b4k s GLN 284 CO 0.00 -1.94 1.12 0.14 -0.55 0.00 0.00 175.29 174.06 1b4k s VAL 285 N 4.24 1.98 0.23 1.34 -7.23 -1.26 -4.39 120.40 115.32 1b4k s VAL 285 Ca 0.31 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.40 1b4k s VAL 285 Cb -0.10 -2.62 0.23 0.00 0.56 0.00 0.00 36.38 34.45 1b4k s VAL 285 CO 0.03 0.00 1.66 0.77 -0.31 0.00 0.00 175.10 177.25 1b4k h SER 286 N -1.75 -0.23 0.09 4.85 4.64 -1.93 0.20 113.55 119.42 1b4k h SER 286 Ca -0.52 0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 1b4k h SER 286 Cb 1.33 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1b4k h SER 286 CO 0.59 -0.11 -0.22 1.23 -0.87 0.00 0.00 176.83 177.44 1b4k h GLY 287 N 0.15 0.27 0.94 -0.77 0.00 -1.07 0.93 103.07 103.51 1b4k h GLY 287 Ca 0.37 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 1b4k h GLY 287 CO -0.56 0.18 -0.05 0.83 0.00 0.00 0.00 176.54 176.94 1b4k h GLU 288 N 0.23 0.68 0.08 4.80 5.08 -1.22 -1.22 114.58 123.01 1b4k h GLU 288 Ca 0.04 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1b4k h GLU 288 Cb 0.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1b4k h GLU 288 CO 0.04 0.82 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.88 1b4k h TYR 289 N 0.49 -0.16 -0.46 4.33 3.20 -0.75 -2.55 116.97 121.08 1b4k h TYR 289 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1b4k h TYR 289 Cb 0.54 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1b4k h TYR 289 CO 0.04 -0.10 0.30 0.00 -1.64 0.00 0.00 178.16 176.76 1b4k h ALA 290 N 0.76 0.58 -0.73 1.82 0.00 -0.79 0.27 119.26 121.18 1b4k h ALA 290 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1b4k h ALA 290 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1b4k h ALA 290 CO -0.01 0.04 0.28 0.00 0.00 0.00 0.00 179.25 179.56 1b4k h MET 291 N 0.62 1.09 -0.07 0.00 -0.00 -1.16 0.58 114.93 115.98 1b4k h MET 291 Ca 0.17 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 1b4k h MET 291 Cb -0.06 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 31.36 1b4k h MET 291 CO -0.04 0.89 -0.01 0.45 -0.00 0.00 0.00 176.91 178.20 1b4k h HIS 292 N 1.06 0.15 -0.67 -0.10 -0.00 -1.01 -2.60 115.15 111.98 1b4k h HIS 292 Ca 0.24 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.61 1b4k h HIS 292 Cb 0.22 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 1b4k h HIS 292 CO 0.02 0.45 0.41 1.98 -0.00 0.00 0.00 177.93 180.79 1b4k h MET 293 N -0.18 0.79 -0.66 2.45 -1.53 -0.79 0.12 114.93 115.12 1b4k h MET 293 Ca 0.02 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1b4k h MET 293 Cb 0.39 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.23 1b4k h MET 293 CO 0.01 0.52 0.36 0.78 0.14 0.00 0.00 176.91 178.72 1b4k h GLY 294 N 0.81 0.99 1.35 1.39 0.00 -0.89 -0.30 103.07 106.42 1b4k h GLY 294 Ca 0.27 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1b4k h GLY 294 CO -0.11 0.43 -0.43 0.00 0.00 0.00 0.00 176.54 176.43 1b4k h ALA 295 N 1.18 0.72 -0.35 3.60 0.00 -1.04 -1.61 119.26 121.76 1b4k h ALA 295 Ca 0.23 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1b4k h ALA 295 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b4k h ALA 295 CO -0.04 0.66 -0.00 0.82 0.00 0.00 0.00 179.25 180.69 1b4k h ILE 296 N 0.57 1.26 0.00 0.00 2.04 -0.45 -0.24 117.51 120.69 1b4k h ILE 296 Ca 0.04 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1b4k h ILE 296 Cb 0.97 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1b4k h ILE 296 CO 0.09 0.32 -0.22 1.56 0.00 0.00 0.00 178.15 179.91 1b4k h GLN 297 N 0.43 0.00 0.00 2.37 4.20 -0.94 -1.44 115.11 119.73 1b4k h GLN 297 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1b4k h GLN 297 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1b4k h GLN 297 CO 0.02 0.22 0.00 0.09 -0.67 0.00 0.00 178.83 178.48 1b4k n ASN 298 N -4.25 0.68 0.00 1.46 3.02 -0.62 -4.91 115.26 110.64 1b4k n ASN 298 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1b4k n ASN 298 Cb 0.27 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1b4k n ASN 298 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b4k n GLY 299 N 1.19 0.58 0.08 7.41 0.00 -0.54 -4.95 105.19 108.96 1b4k n GLY 299 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1b4k n GLY 299 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1b4k h TRP 300 N 0.00 0.00 -4.11 1.61 6.55 -1.26 -3.46 115.95 115.28 1b4k h TRP 300 Ca 0.00 0.00 -0.46 0.00 0.95 0.00 0.00 58.89 59.38 1b4k h TRP 300 Cb 0.00 0.00 -0.27 0.00 -0.86 0.00 0.00 29.16 28.03 1b4k h TRP 300 CO 0.00 0.85 -0.80 -0.51 -1.05 0.00 0.00 178.44 176.93 1b4k s LEU 301 N -6.34 2.09 0.67 -4.49 1.02 -1.11 -5.00 118.68 105.53 1b4k s LEU 301 Ca -0.01 -0.33 -0.12 0.00 0.02 0.00 0.00 54.13 53.69 1b4k s LEU 301 Cb 0.09 -0.64 -0.00 0.00 0.02 0.00 0.00 46.19 45.65 1b4k s LEU 301 CO 0.81 0.10 1.06 0.00 0.02 0.00 0.00 176.35 178.34 1b4k s ALA 302 N -0.55 2.69 0.55 4.21 0.00 -1.26 -4.26 121.76 123.14 1b4k s ALA 302 Ca 0.03 0.16 0.39 0.00 0.00 0.00 0.00 51.96 52.54 1b4k s ALA 302 Cb -0.06 -3.19 2.09 0.00 0.00 0.00 0.00 23.12 21.96 1b4k s ALA 302 CO 0.00 -1.14 2.27 0.93 0.00 0.00 0.00 175.76 177.83 1b4k h GLU 303 N -0.46 0.00 0.00 0.00 5.08 -1.99 -1.70 114.58 115.51 1b4k h GLU 303 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1b4k h GLU 303 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1b4k h GLU 303 CO 0.57 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 179.25 1b4k h SER 304 N 0.00 0.00 0.25 1.42 4.64 -2.03 -1.76 113.55 116.07 1b4k h SER 304 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1b4k h SER 304 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1b4k h SER 304 CO 0.00 0.00 -0.16 1.62 -0.87 0.00 0.00 176.83 177.42 1b4k h VAL 305 N 0.00 0.90 0.33 0.95 3.04 -1.68 -2.45 116.25 117.34 1b4k h VAL 305 Ca 0.00 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1b4k h VAL 305 Cb 0.05 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1b4k h VAL 305 CO 0.00 0.16 -0.19 0.40 -1.01 0.00 0.00 177.57 176.93 1b4k h ILE 306 N 0.00 0.61 -0.20 3.17 2.04 -1.55 0.12 117.51 121.69 1b4k h ILE 306 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1b4k h ILE 306 Cb 0.33 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1b4k h ILE 306 CO 0.02 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.83 1b4k h LEU 307 N -0.49 0.39 -0.56 1.44 3.38 -1.71 -2.29 115.31 115.48 1b4k h LEU 307 Ca -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1b4k h LEU 307 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1b4k h LEU 307 CO 0.05 0.66 0.28 -0.08 0.09 0.00 0.00 178.44 179.43 1b4k h GLU 308 N 0.35 0.79 -0.68 1.13 4.81 -1.16 0.47 114.58 120.28 1b4k h GLU 308 Ca 0.05 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1b4k h GLU 308 Cb 0.66 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1b4k h GLU 308 CO 0.05 0.64 0.33 0.66 -0.73 0.00 0.00 179.01 179.96 1b4k h SER 309 N 0.75 0.88 1.00 1.04 4.64 -0.41 -2.22 113.55 119.23 1b4k h SER 309 Ca 0.19 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1b4k h SER 309 Cb 0.10 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1b4k h SER 309 CO -0.03 0.74 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.73 1b4k h LEU 310 N 0.97 0.00 -0.99 5.97 3.38 -1.14 -3.05 115.31 120.45 1b4k h LEU 310 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1b4k h LEU 310 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1b4k h LEU 310 CO -0.03 0.88 -0.08 0.74 0.09 0.00 0.00 178.44 180.03 1b4k h THR 311 N 0.00 1.24 -0.86 0.22 2.02 -0.73 -2.23 112.91 112.57 1b4k h THR 311 Ca -0.01 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1b4k h THR 311 Cb 1.61 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.02 1b4k h THR 311 CO 0.11 0.35 0.56 0.00 0.37 0.00 0.00 175.52 176.92 1b4k h ALA 312 N 1.32 1.48 -0.71 6.16 0.00 -1.29 -1.31 119.26 124.90 1b4k h ALA 312 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1b4k h ALA 312 Cb 0.50 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1b4k h ALA 312 CO 0.03 0.43 0.20 0.74 0.00 0.00 0.00 179.25 180.65 1b4k h PHE 313 N 1.06 1.16 -0.41 0.00 0.04 -1.45 -0.81 116.94 116.53 1b4k h PHE 313 Ca 0.34 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.93 1b4k h PHE 313 Cb 0.05 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 1b4k h PHE 313 CO -0.00 0.93 0.04 0.87 -0.60 0.00 0.00 178.31 179.55 1b4k h LYS 314 N 1.06 0.71 -0.94 1.51 1.79 -1.29 -1.04 116.57 118.36 1b4k h LYS 314 Ca 0.23 -0.21 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1b4k h LYS 314 Cb 0.34 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 1b4k h LYS 314 CO -0.00 0.77 0.62 -0.09 -1.08 0.00 0.00 179.45 179.66 1b4k h ARG 315 N 0.55 1.16 0.00 3.15 2.43 -1.10 -2.12 114.38 118.45 1b4k h ARG 315 Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1b4k h ARG 315 Cb 0.42 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1b4k h ARG 315 CO 0.01 0.77 0.00 0.00 -1.51 0.00 0.00 179.97 179.24 1b4k n ALA 316 N -2.39 1.85 0.00 2.80 0.00 -0.32 -4.90 120.51 117.55 1b4k n ALA 316 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1b4k n ALA 316 Cb 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1b4k n ALA 316 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4k n GLY 317 N 0.40 1.32 3.78 0.00 0.00 -0.80 -2.52 105.19 107.38 1b4k n GLY 317 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1b4k n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4k s ALA 318 N -2.00 3.33 -0.01 4.61 0.00 -0.43 -4.79 121.76 122.48 1b4k s ALA 318 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1b4k s ALA 318 Cb 0.00 -3.05 -0.28 0.00 0.00 0.00 0.00 23.12 19.79 1b4k s ALA 318 CO 0.00 0.24 0.81 -0.44 0.00 0.00 0.00 175.76 176.37 1b4k h ASP 319 N 3.65 0.41 -5.05 0.00 3.32 -0.78 -3.40 116.42 114.57 1b4k h ASP 319 Ca -0.47 -0.59 -0.15 0.00 0.02 0.00 0.00 57.03 55.84 1b4k h ASP 319 Cb 1.20 -0.13 -0.19 0.00 0.22 0.00 0.00 39.33 40.42 1b4k h ASP 319 CO 0.66 1.50 -0.64 -0.83 -1.72 0.00 0.00 179.24 178.20 1b4k s GLY 320 N -5.00 0.25 -0.08 2.75 0.00 -1.14 -4.55 107.32 99.55 1b4k s GLY 320 Ca -0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 43.96 1b4k s GLY 320 CO 0.85 -0.76 -0.04 -0.42 0.00 0.00 0.00 173.10 172.73 1b4k s ILE 321 N -2.17 0.65 -0.34 0.90 1.01 0.24 -1.64 121.20 119.85 1b4k s ILE 321 Ca -0.09 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 1b4k s ILE 321 Cb -0.04 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1b4k s ILE 321 CO -0.03 0.29 0.82 -0.76 0.00 0.00 0.00 174.94 175.26 1b4k s LEU 322 N 1.55 4.08 -0.08 2.97 1.02 -0.24 -1.30 118.68 126.69 1b4k s LEU 322 Ca -0.00 0.54 -0.05 0.00 0.02 0.00 0.00 54.13 54.65 1b4k s LEU 322 Cb -0.13 -3.10 0.03 0.00 0.02 0.00 0.00 46.19 43.01 1b4k s LEU 322 CO -0.04 -0.71 0.18 0.28 0.02 0.00 0.00 176.35 176.08 1b4k s THR 323 N 3.12 -0.03 -0.83 5.49 -1.32 -0.48 -0.73 115.64 120.86 1b4k s THR 323 Ca 0.33 0.11 0.16 0.00 -1.21 0.00 0.00 61.69 61.08 1b4k s THR 323 Cb -0.13 -0.28 0.15 0.00 -1.51 0.00 0.00 72.50 70.72 1b4k s THR 323 CO 0.15 0.04 1.49 -1.22 -2.21 0.00 0.00 174.62 172.88 1b4k n TYR 324 N 3.78 0.25 1.45 9.09 4.01 -1.26 -2.08 117.16 132.39 1b4k n TYR 324 Ca -0.21 0.10 0.07 0.00 -0.16 0.00 0.00 57.90 57.69 1b4k n TYR 324 Cb 0.55 -0.66 0.27 0.00 -0.31 0.00 0.00 39.34 39.18 1b4k n TYR 324 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1b4k n PHE 325 N -1.73 0.20 -0.30 -0.72 3.72 -1.26 -4.60 117.46 112.77 1b4k n PHE 325 Ca 0.03 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1b4k n PHE 325 Cb 0.16 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.84 1b4k n PHE 325 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4k h ALA 326 N 3.61 1.15 -0.21 4.37 0.00 -1.73 0.32 119.26 126.75 1b4k h ALA 326 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1b4k h ALA 326 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1b4k h ALA 326 CO 0.00 0.26 -0.00 -0.22 0.00 0.00 0.00 179.25 179.29 1b4k h LYS 327 N 0.94 0.38 -0.47 0.00 3.64 -1.87 -0.81 116.57 118.38 1b4k h LYS 327 Ca 0.36 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1b4k h LYS 327 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1b4k h LYS 327 CO -0.17 0.57 0.30 1.96 -2.27 0.00 0.00 179.45 179.84 1b4k h GLN 328 N 0.14 0.59 -0.64 1.90 4.20 -1.83 -0.81 115.11 118.67 1b4k h GLN 328 Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1b4k h GLN 328 Cb 0.40 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1b4k h GLN 328 CO 0.01 0.39 0.30 0.00 -0.67 0.00 0.00 178.83 178.86 1b4k h ALA 329 N 1.19 0.82 -0.49 3.87 0.00 -0.88 -0.90 119.26 122.88 1b4k h ALA 329 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1b4k h ALA 329 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1b4k h ALA 329 CO -0.06 0.39 0.07 0.00 0.00 0.00 0.00 179.25 179.65 1b4k h ALA 330 N 1.13 1.20 -0.34 0.00 0.00 -0.77 0.51 119.26 120.98 1b4k h ALA 330 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1b4k h ALA 330 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b4k h ALA 330 CO -0.03 0.54 0.07 0.93 0.00 0.00 0.00 179.25 180.76 1b4k h GLU 331 N 0.74 0.56 -0.32 0.00 5.08 -0.77 -2.08 114.58 117.79 1b4k h GLU 331 Ca 0.16 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1b4k h GLU 331 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1b4k h GLU 331 CO 0.01 0.63 -0.22 1.96 -1.00 0.00 0.00 179.01 180.38 1b4k h GLN 332 N 0.40 0.61 0.00 2.33 4.20 -0.76 -2.83 115.11 119.06 1b4k h GLN 332 Ca 0.11 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1b4k h GLN 332 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1b4k h GLN 332 CO 0.00 0.79 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.46 1b4k h LEU 333 N 0.54 0.00 -7.75 1.46 3.38 -0.76 -3.33 115.31 108.85 1b4k h LEU 333 Ca 0.08 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.49 1b4k h LEU 333 Cb 0.68 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1b4k h LEU 333 CO 0.05 0.43 1.86 -1.14 0.09 0.00 0.00 178.44 179.74 1b4k n ARG 334 N -3.92 2.56 0.00 1.13 0.63 -0.79 -5.06 116.66 111.21 1b4k n ARG 334 Ca -0.01 -2.91 0.00 0.00 -0.92 0.00 0.00 57.85 54.01 1b4k n ARG 334 Cb 0.47 -3.55 0.00 0.00 0.45 0.00 0.00 32.46 29.83 1b4k n ARG 334 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66