#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4k n LEU 6 N 0.00 1.24 -4.62 -2.67 4.32 -1.26 -1.38 117.00 112.63 3i4k n LEU 6 Ca 0.00 -0.37 -0.48 0.00 -0.02 0.00 0.00 56.01 55.14 3i4k n LEU 6 Cb 0.00 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 41.70 3i4k n LEU 6 CO 0.00 0.22 0.91 0.41 -1.22 0.00 0.00 177.39 177.71 3i4k n THR 7 N -0.25 0.60 -2.70 -5.08 -1.04 -1.26 -2.15 114.28 102.40 3i4k n THR 7 Ca 0.16 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 3i4k n THR 7 Cb 0.35 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.70 3i4k n THR 7 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3i4k s ILE 8 N 0.15 4.42 -0.12 12.58 1.09 0.20 -0.52 121.20 138.99 3i4k s ILE 8 Ca 0.75 1.26 -0.09 0.00 -1.10 0.00 0.00 60.65 61.46 3i4k s ILE 8 Cb -0.78 -4.46 -0.26 0.00 -1.06 0.00 0.00 42.46 35.90 3i4k s ILE 8 CO 0.48 -0.74 0.37 1.56 -0.10 0.00 0.00 174.94 176.52 3i4k h GLN 9 N 8.74 0.25 -3.92 2.79 1.08 -1.23 0.12 115.11 122.93 3i4k h GLN 9 Ca -0.23 -0.42 -0.10 0.00 -1.45 0.00 0.00 58.65 56.45 3i4k h GLN 9 Cb 1.07 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 28.51 3i4k h GLN 9 CO 1.05 1.20 -0.43 0.21 -0.95 0.00 0.00 178.83 179.91 3i4k s LYS 10 N -2.54 0.84 -0.12 1.46 2.20 -1.00 -4.82 119.74 115.77 3i4k s LYS 10 Ca -0.23 -1.05 -0.05 0.00 -0.36 0.00 0.00 55.97 54.29 3i4k s LYS 10 Cb 0.06 0.32 0.06 0.00 -1.51 0.00 0.00 37.83 36.76 3i4k s LYS 10 CO 0.76 -0.26 0.24 0.14 -0.36 0.00 0.00 175.35 175.87 3i4k s VAL 11 N -3.89 -0.33 0.20 4.02 -7.23 -1.26 -0.40 120.40 111.51 3i4k s VAL 11 Ca 0.08 0.27 0.10 0.00 -1.81 0.00 0.00 61.98 60.62 3i4k s VAL 11 Cb 0.05 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 3i4k s VAL 11 CO -0.09 0.11 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.00 3i4k s GLU 12 N 2.20 1.46 -0.02 4.82 2.02 -0.27 -4.96 118.70 123.95 3i4k s GLU 12 Ca -0.00 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.46 3i4k s GLU 12 Cb -0.12 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.50 3i4k s GLU 12 CO -0.08 0.33 -0.03 -1.54 0.02 0.00 0.00 175.26 173.96 3i4k s SER 13 N -2.87 0.65 -0.05 -0.19 1.04 -1.26 0.20 113.70 111.23 3i4k s SER 13 Ca 0.21 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.60 3i4k s SER 13 Cb -0.06 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 3i4k s SER 13 CO 0.10 -0.03 -0.17 -0.13 0.98 0.00 0.00 173.24 173.99 3i4k s ARG 14 N 0.57 1.78 -0.21 4.02 0.52 0.44 -4.94 118.95 121.13 3i4k s ARG 14 Ca -0.07 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 3i4k s ARG 14 Cb -0.10 -1.54 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 3i4k s ARG 14 CO -0.00 0.22 0.57 0.42 0.02 0.00 0.00 175.30 176.52 3i4k s ILE 15 N 0.11 5.05 -0.09 1.52 1.01 -1.26 0.92 121.20 128.46 3i4k s ILE 15 Ca -0.05 1.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.64 3i4k s ILE 15 Cb -0.12 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3i4k s ILE 15 CO 0.02 0.12 -0.06 -0.76 0.00 0.00 0.00 174.94 174.27 3i4k s LEU 16 N 1.93 3.21 -0.39 2.97 1.43 0.15 -0.89 118.68 127.09 3i4k s LEU 16 Ca 0.26 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3i4k s LEU 16 Cb -0.16 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.45 3i4k s LEU 16 CO 0.10 0.32 0.11 -1.81 0.23 0.00 0.00 176.35 175.30 3i4k s ASP 17 N -0.53 4.59 -0.18 2.29 1.01 -0.25 -0.47 116.67 123.13 3i4k s ASP 17 Ca 0.08 -2.39 -0.05 0.00 0.71 0.00 0.00 52.55 50.90 3i4k s ASP 17 Cb -0.12 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 3i4k s ASP 17 CO 0.02 -0.34 0.01 0.54 0.21 0.00 0.00 175.17 175.61 3i4k s VAL 18 N 0.59 4.15 0.36 -1.27 0.11 -0.84 -4.86 120.40 118.63 3i4k s VAL 18 Ca 0.13 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 3i4k s VAL 18 Cb -0.21 -2.86 -0.11 0.00 -1.53 0.00 0.00 36.38 31.67 3i4k s VAL 18 CO -0.06 0.45 1.40 -2.84 -3.33 0.00 0.00 175.10 170.72 3i4k s PRO 19 N 0.68 4.22 0.41 1.54 0.02 -1.26 -0.94 135.00 139.68 3i4k s PRO 19 Ca 0.00 2.41 -0.10 0.00 0.02 0.00 0.00 61.00 63.34 3i4k s PRO 19 Cb -0.14 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 3i4k s PRO 19 CO 0.02 -0.38 0.77 -0.51 -0.33 0.00 0.00 177.00 176.57 3i4k s LEU 20 N -1.95 3.80 0.42 -5.54 1.02 -0.33 -0.56 118.68 115.55 3i4k s LEU 20 Ca 0.51 1.09 0.22 0.00 0.02 0.00 0.00 54.13 55.97 3i4k s LEU 20 Cb -0.43 -3.98 0.89 0.00 0.02 0.00 0.00 46.19 42.69 3i4k s LEU 20 CO 0.58 -0.42 1.83 0.40 0.02 0.00 0.00 176.35 178.76 3i4k h ILE 21 N 0.96 0.73 -3.18 -0.59 2.04 -0.87 -3.41 117.51 113.19 3i4k h ILE 21 Ca -0.47 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 3i4k h ILE 21 Cb 1.19 1.76 -0.15 0.00 -0.74 0.00 0.00 36.82 38.88 3i4k h ILE 21 CO 0.64 0.27 -0.08 -0.13 0.00 0.00 0.00 178.15 178.85 3i4k s ARG 22 N -3.75 0.99 0.08 2.37 0.52 -1.26 -5.03 118.95 112.88 3i4k s ARG 22 Ca -0.00 -0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 3i4k s ARG 22 Cb 0.11 0.44 -0.08 0.00 0.52 0.00 0.00 34.95 35.94 3i4k s ARG 22 CO 0.65 -0.36 1.60 -2.14 0.02 0.00 0.00 175.30 175.07 3i4k s PRO 23 N -3.07 4.21 -0.45 3.54 0.02 -1.26 -4.80 135.00 133.19 3i4k s PRO 23 Ca -0.02 2.29 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 3i4k s PRO 23 Cb 0.00 -3.50 0.08 0.00 0.02 0.00 0.00 34.50 31.10 3i4k s PRO 23 CO -0.07 -0.68 0.34 -1.58 -0.33 0.00 0.00 177.00 174.68 3i4k s HIS 24 N 2.28 3.28 -0.07 6.54 2.46 0.29 -4.90 115.29 125.17 3i4k s HIS 24 Ca 0.72 -1.17 -0.18 0.00 0.47 0.00 0.00 55.06 54.90 3i4k s HIS 24 Cb -0.39 -3.09 -0.05 0.00 -0.13 0.00 0.00 32.58 28.91 3i4k s HIS 24 CO 0.31 -0.82 0.47 0.20 -2.47 0.00 0.00 174.74 172.43 3i4k s GLY 25 N 2.42 2.44 0.00 1.59 0.00 -1.26 -0.32 107.32 112.19 3i4k s GLY 25 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3i4k s GLY 25 CO 0.05 0.60 0.00 0.69 0.00 0.00 0.00 173.10 174.44 3i4k n PHE 26 N 3.07 -1.04 0.31 1.90 3.72 0.14 -2.56 117.46 122.99 3i4k n PHE 26 Ca -0.09 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.47 3i4k n PHE 26 Cb 0.52 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.68 3i4k n PHE 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i4k h ALA 27 N 0.74 1.00 0.00 4.37 0.00 -1.91 -3.37 119.26 120.09 3i4k h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i4k h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i4k h ALA 27 CO 0.00 0.00 -0.05 0.25 0.00 0.00 0.00 179.25 179.45 3i4k n THR 28 N -2.89 0.00 -4.31 0.00 -2.24 -1.26 -3.81 114.28 99.77 3i4k n THR 28 Ca 0.01 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3i4k n THR 28 Cb 0.30 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3i4k n THR 28 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i4k s THR 29 N -0.12 0.37 -0.02 4.28 -4.23 -1.26 -5.15 115.64 109.51 3i4k s THR 29 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3i4k s THR 29 Cb 0.00 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3i4k s THR 29 CO 0.00 0.00 -0.00 -0.89 -0.54 0.00 0.00 174.62 173.19 3i4k s THR 30 N -3.72 0.17 0.11 3.99 2.01 -1.26 0.23 115.64 117.17 3i4k s THR 30 Ca 0.37 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.45 3i4k s THR 30 Cb 0.06 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3i4k s THR 30 CO 0.16 0.13 0.14 -0.44 -0.69 0.00 0.00 174.62 173.91 3i4k s SER 31 N 0.81 5.72 0.00 3.53 0.01 0.56 -4.92 113.70 119.41 3i4k s SER 31 Ca -0.08 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.19 3i4k s SER 31 Cb -0.11 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.54 3i4k s SER 31 CO -0.01 0.13 0.00 0.35 0.41 0.00 0.00 173.24 174.11 3i4k n THR 32 N 0.06 0.00 -3.73 1.44 -2.24 -1.26 -0.55 114.28 108.01 3i4k n THR 32 Ca -0.08 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3i4k n THR 32 Cb 0.53 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 3i4k n THR 32 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i4k s GLU 33 N -0.46 0.57 -0.15 -0.78 -1.05 -1.26 -1.19 118.70 114.37 3i4k s GLU 33 Ca 0.00 0.34 -0.08 0.00 -0.15 0.00 0.00 54.97 55.08 3i4k s GLU 33 Cb 0.00 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3i4k s GLU 33 CO 0.00 -0.11 0.13 -1.14 0.95 0.00 0.00 175.26 175.09 3i4k s GLN 34 N -0.30 3.72 -0.16 -4.83 2.00 -0.11 -4.91 119.66 115.06 3i4k s GLN 34 Ca -0.04 -0.18 -0.12 0.00 -2.00 0.00 0.00 55.36 53.02 3i4k s GLN 34 Cb -0.03 -3.27 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 3i4k s GLN 34 CO 0.02 0.59 0.22 -1.01 -0.50 0.00 0.00 175.29 174.61 3i4k s HIS 35 N -0.47 3.47 -0.05 1.67 3.76 -1.26 -1.99 115.29 120.41 3i4k s HIS 35 Ca 0.12 0.51 -0.00 0.00 -0.15 0.00 0.00 55.06 55.53 3i4k s HIS 35 Cb -0.12 -2.24 0.03 0.00 1.11 0.00 0.00 32.58 31.36 3i4k s HIS 35 CO 0.02 0.32 -0.01 0.42 -0.85 0.00 0.00 174.74 174.64 3i4k s ILE 36 N 0.23 0.34 -0.55 0.60 1.01 0.37 -4.59 121.20 118.61 3i4k s ILE 36 Ca 0.13 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 3i4k s ILE 36 Cb -0.12 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.93 3i4k s ILE 36 CO 0.02 0.22 0.88 -0.22 0.00 0.00 0.00 174.94 175.85 3i4k s LEU 37 N 1.51 4.29 -0.44 2.97 2.96 -0.18 0.33 118.68 130.11 3i4k s LEU 37 Ca -0.02 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 3i4k s LEU 37 Cb -0.13 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.86 3i4k s LEU 37 CO -0.03 -1.18 0.85 -0.22 -1.32 0.00 0.00 176.35 174.44 3i4k s LEU 38 N 3.71 4.13 -0.12 -0.68 2.96 0.26 -0.63 118.68 128.31 3i4k s LEU 38 Ca 0.27 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3i4k s LEU 38 Cb -0.14 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3i4k s LEU 38 CO 0.17 -0.95 0.11 -0.69 -1.32 0.00 0.00 176.35 173.67 3i4k s VAL 39 N 3.47 5.27 -0.04 1.68 1.01 0.38 -0.42 120.40 131.75 3i4k s VAL 39 Ca 0.33 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3i4k s VAL 39 Cb -0.11 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3i4k s VAL 39 CO 0.24 0.60 -0.14 -0.94 0.00 0.00 0.00 175.10 174.85 3i4k s SER 40 N -0.87 1.84 -0.30 3.32 1.04 0.13 -0.78 113.70 118.07 3i4k s SER 40 Ca 0.14 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 3i4k s SER 40 Cb -0.12 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3i4k s SER 40 CO 0.03 0.12 0.06 -0.69 0.98 0.00 0.00 173.24 173.75 3i4k s VAL 41 N 0.11 3.71 -0.33 5.02 1.01 -0.08 -1.11 120.40 128.73 3i4k s VAL 41 Ca -0.04 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 3i4k s VAL 41 Cb -0.11 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3i4k s VAL 41 CO 0.02 0.01 0.30 -1.00 0.00 0.00 0.00 175.10 174.43 3i4k s HIS 42 N 1.43 3.22 0.35 5.22 0.09 0.46 -1.72 115.29 124.34 3i4k s HIS 42 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 55.06 55.03 3i4k s HIS 42 Cb -0.18 -2.56 -0.04 0.00 -0.00 0.00 0.00 32.58 29.80 3i4k s HIS 42 CO 0.01 -0.35 0.59 -0.51 -0.00 0.00 0.00 174.74 174.48 3i4k s LEU 43 N 1.90 3.96 0.21 0.89 1.43 -0.29 -0.73 118.68 126.06 3i4k s LEU 43 Ca 0.10 0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 3i4k s LEU 43 Cb -0.17 -3.49 0.30 0.00 0.03 0.00 0.00 46.19 42.87 3i4k s LEU 43 CO 0.11 -0.31 1.72 -0.08 0.23 0.00 0.00 176.35 178.02 3i4k h GLU 44 N 1.00 0.31 0.00 1.70 4.57 -0.84 0.71 114.58 122.03 3i4k h GLU 44 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3i4k h GLU 44 Cb 1.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3i4k h GLU 44 CO 0.63 0.21 0.00 0.27 -1.18 0.00 0.00 179.01 178.94 3i4k n ASN 45 N -5.08 0.00 0.00 1.04 2.04 -0.48 -4.78 115.26 108.01 3i4k n ASN 45 Ca 0.09 -0.62 0.00 0.00 -0.44 0.00 0.00 54.58 53.61 3i4k n ASN 45 Cb 0.31 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.56 3i4k n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i4k n GLY 46 N -0.19 1.60 3.79 4.83 0.00 0.24 -5.02 105.19 110.44 3i4k n GLY 46 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i4k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 47 N -3.62 4.03 -0.07 1.61 0.11 -1.25 -4.82 120.40 116.38 3i4k s VAL 47 Ca 0.00 1.47 0.01 0.00 -2.93 0.00 0.00 61.98 60.54 3i4k s VAL 47 Cb 0.00 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 3i4k s VAL 47 CO 0.00 -0.07 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.98 3i4k s ILE 48 N -1.81 0.93 0.14 7.04 1.01 -1.26 -1.14 121.20 126.11 3i4k s ILE 48 Ca 0.58 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3i4k s ILE 48 Cb -0.17 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3i4k s ILE 48 CO 0.22 0.32 -0.02 -0.83 0.00 0.00 0.00 174.94 174.63 3i4k s GLY 49 N 0.93 1.78 0.16 6.18 0.00 -0.70 -4.73 107.32 110.95 3i4k s GLY 49 Ca -0.10 -1.29 0.09 0.00 0.00 0.00 0.00 44.72 43.42 3i4k s GLY 49 CO 0.01 -1.29 -0.21 -0.19 0.00 0.00 0.00 173.10 171.42 3i4k s TYR 50 N -1.54 1.95 0.05 1.90 2.02 -1.26 -0.90 117.35 119.57 3i4k s TYR 50 Ca 0.26 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.42 3i4k s TYR 50 Cb -0.10 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.48 3i4k s TYR 50 CO 0.18 0.34 0.25 0.20 -1.57 0.00 0.00 175.55 174.95 3i4k s GLY 51 N -2.47 -0.04 -0.10 0.71 0.00 0.04 -3.30 107.32 102.15 3i4k s GLY 51 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.72 3i4k s GLY 51 CO 0.07 -0.36 -0.13 -0.54 0.00 0.00 0.00 173.10 172.14 3i4k s GLU 52 N -2.64 3.02 -0.50 2.90 2.02 -1.26 -0.47 118.70 121.77 3i4k s GLU 52 Ca -0.04 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 3i4k s GLU 52 Cb -0.01 -2.55 0.13 0.00 0.10 0.00 0.00 34.13 31.80 3i4k s GLU 52 CO -0.04 0.41 0.35 0.20 0.02 0.00 0.00 175.26 176.20 3i4k s GLY 53 N -0.15 2.11 -0.03 -1.39 0.00 0.20 -3.77 107.32 104.29 3i4k s GLY 53 Ca -0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 44.72 42.04 3i4k s GLY 53 CO 0.03 1.10 0.06 0.54 0.00 0.00 0.00 173.10 174.84 3i4k s VAL 54 N 1.10 -0.02 0.25 1.40 0.11 -1.26 -1.01 120.40 120.98 3i4k s VAL 54 Ca 0.08 0.06 0.11 0.00 -2.93 0.00 0.00 61.98 59.31 3i4k s VAL 54 Cb -0.24 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 3i4k s VAL 54 CO -0.02 0.03 -0.20 0.68 -3.33 0.00 0.00 175.10 172.25 3i4k s VAL 55 N 0.37 2.36 -0.56 2.04 -7.23 -1.26 -4.86 120.40 111.25 3i4k s VAL 55 Ca -0.03 -2.29 -0.27 0.00 -1.81 0.00 0.00 61.98 57.59 3i4k s VAL 55 Cb -0.04 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 3i4k s VAL 55 CO -0.01 -0.35 1.88 -2.84 -0.31 0.00 0.00 175.10 173.47 3i4k s PRO 56 N -3.30 2.71 0.00 4.82 0.02 -1.18 -4.42 135.00 133.65 3i4k s PRO 56 Ca 0.27 0.77 0.00 0.00 0.02 0.00 0.00 61.00 62.06 3i4k s PRO 56 Cb -0.05 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.10 3i4k s PRO 56 CO 0.13 -2.63 0.00 0.41 -0.33 0.00 0.00 177.00 174.58 3i4k n GLY 57 N 5.67 1.88 0.00 0.52 0.00 -1.26 -4.66 105.19 107.34 3i4k n GLY 57 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i4k n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 58 N 0.00 2.15 0.00 -0.02 0.00 -1.26 -4.73 105.19 101.32 3i4k n GLY 58 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.21 3i4k n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4k n PRO 59 N 0.00 0.39 0.27 1.61 -0.04 -1.24 -2.89 135.00 133.10 3i4k n PRO 59 Ca 0.00 0.06 0.15 0.00 -0.04 0.00 0.00 63.50 63.66 3i4k n PRO 59 Cb 0.00 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 32.70 3i4k n PRO 59 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3i4k h TRP 60 N 0.00 0.00 0.07 0.54 5.08 -1.89 0.88 115.95 120.63 3i4k h TRP 60 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3i4k h TRP 60 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3i4k h TRP 60 CO 0.00 0.09 -0.03 2.35 -1.28 0.00 0.00 178.44 179.57 3i4k h TRP 61 N 0.00 -0.09 0.00 0.12 7.01 -1.79 -3.43 115.95 117.77 3i4k h TRP 61 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3i4k h TRP 61 Cb 0.42 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 3i4k h TRP 61 CO 0.00 0.48 -0.03 0.41 -2.79 0.00 0.00 178.44 176.52 3i4k n GLY 62 N 0.75 -1.35 0.97 2.65 0.00 -1.21 -5.03 105.19 101.96 3i4k n GLY 62 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i4k n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 63 N 0.00 0.92 3.77 -0.02 0.00 0.30 -5.05 105.19 105.10 3i4k n GLY 63 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i4k n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4k s GLU 64 N -0.68 2.96 0.15 1.61 2.02 -1.26 -4.91 118.70 118.58 3i4k s GLU 64 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 3i4k s GLU 64 Cb 0.00 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3i4k s GLU 64 CO 0.00 0.61 0.16 -1.54 0.02 0.00 0.00 175.26 174.51 3i4k s SER 65 N -1.97 0.19 0.34 -0.19 1.04 -1.26 -3.67 113.70 108.18 3i4k s SER 65 Ca 0.25 -1.07 0.09 0.00 0.48 0.00 0.00 55.95 55.71 3i4k s SER 65 Cb -0.12 0.36 0.84 0.00 0.10 0.00 0.00 66.02 67.20 3i4k s SER 65 CO 0.17 -0.81 1.81 1.62 0.98 0.00 0.00 173.24 177.01 3i4k h VAL 66 N 2.72 0.73 -0.34 5.02 3.04 -1.90 0.60 116.25 126.12 3i4k h VAL 66 Ca -0.34 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 65.07 3i4k h VAL 66 Cb 1.21 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 3i4k h VAL 66 CO 0.54 0.12 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.89 3i4k h GLU 67 N 0.67 0.60 -0.85 4.17 3.07 -1.98 -1.74 114.58 118.52 3i4k h GLU 67 Ca 0.53 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3i4k h GLU 67 Cb 0.93 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3i4k h GLU 67 CO -0.29 0.72 0.00 2.41 -1.40 0.00 0.00 179.01 180.45 3i4k n THR 68 N -4.52 0.07 0.00 1.13 -1.04 0.20 -2.68 114.28 107.44 3i4k n THR 68 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3i4k n THR 68 Cb 0.27 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3i4k n THR 68 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i4k n LYS 70 N 0.62 0.00 -0.33 -2.82 4.81 -0.65 -2.48 118.16 117.31 3i4k n LYS 70 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3i4k n LYS 70 Cb 0.06 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.25 3i4k n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4k h ALA 71 N 0.00 1.23 -0.07 3.14 0.00 -1.78 -0.26 119.26 121.53 3i4k h ALA 71 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3i4k h ALA 71 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i4k h ALA 71 CO 0.00 0.36 -0.74 -0.07 0.00 0.00 0.00 179.25 178.81 3i4k h LEU 72 N 1.06 0.76 0.56 0.00 3.38 -1.79 -1.20 115.31 118.09 3i4k h LEU 72 Ca 0.38 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3i4k h LEU 72 Cb 0.12 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i4k h LEU 72 CO -0.16 1.34 -0.27 0.58 0.09 0.00 0.00 178.44 180.02 3i4k h VAL 73 N 0.25 0.40 -0.11 1.22 2.07 -1.78 0.15 116.25 118.44 3i4k h VAL 73 Ca -0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3i4k h VAL 73 Cb 1.39 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3i4k h VAL 73 CO 0.15 0.03 0.04 0.44 0.02 0.00 0.00 177.57 178.25 3i4k h ASP 74 N -0.88 0.16 1.55 0.57 3.32 -1.16 0.50 116.42 120.48 3i4k h ASP 74 Ca -0.08 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 3i4k h ASP 74 Cb 0.63 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3i4k h ASP 74 CO 0.13 0.29 -0.46 1.23 -1.72 0.00 0.00 179.24 178.70 3i4k h GLY 75 N 0.02 0.00 0.00 2.75 0.00 -1.28 -3.41 103.07 101.15 3i4k h GLY 75 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i4k h GLY 75 CO -0.00 0.00 -0.42 -1.72 0.00 0.00 0.00 176.54 174.39 3i4k n TYR 76 N -3.04 0.00 0.19 5.60 4.02 -0.20 -4.85 117.16 118.88 3i4k n TYR 76 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.79 3i4k n TYR 76 Cb 0.62 0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 40.10 3i4k n TYR 76 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i4k h LEU 77 N 0.00 -0.46 -0.73 7.72 3.38 -0.68 -3.36 115.31 121.18 3i4k h LEU 77 Ca 0.00 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.00 3i4k h LEU 77 Cb 0.42 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 3i4k h LEU 77 CO 0.00 -0.03 -0.34 0.00 0.09 0.00 0.00 178.44 178.16 3i4k h ALA 78 N -0.81 0.06 -0.02 1.53 0.00 -0.21 0.20 119.26 120.01 3i4k h ALA 78 Ca -0.06 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i4k h ALA 78 Cb 0.52 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i4k h ALA 78 CO 0.09 -0.64 0.40 -1.00 0.00 0.00 0.00 179.25 178.10 3i4k h PRO 79 N -0.10 0.00 0.03 0.00 0.13 -1.79 -0.84 132.00 129.43 3i4k h PRO 79 Ca 0.28 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.18 3i4k h PRO 79 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3i4k h PRO 79 CO -0.79 0.00 -1.00 0.28 -0.23 0.00 0.00 178.00 176.27 3i4k h VAL 80 N 0.00 1.48 -0.10 1.56 2.07 -1.10 -3.35 116.25 116.82 3i4k h VAL 80 Ca 0.01 -2.73 -0.12 0.00 0.82 0.00 0.00 66.70 64.68 3i4k h VAL 80 Cb 0.80 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3i4k h VAL 80 CO -0.00 0.80 -0.41 -0.07 0.02 0.00 0.00 177.57 177.91 3i4k h LEU 81 N 0.13 0.53 -9.18 2.57 4.07 -1.22 -3.46 115.31 108.75 3i4k h LEU 81 Ca -0.07 -0.63 -0.72 0.00 0.08 0.00 0.00 57.88 56.54 3i4k h LEU 81 Cb 1.66 -0.15 0.02 0.00 1.08 0.00 0.00 40.66 43.27 3i4k h LEU 81 CO 0.16 1.07 0.86 -0.38 -1.08 0.00 0.00 178.44 179.07 3i4k n ILE 82 N -4.32 0.29 0.00 1.22 5.41 -1.19 -2.03 119.36 118.73 3i4k n ILE 82 Ca -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.62 3i4k n ILE 82 Cb 0.55 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 3i4k n ILE 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i4k n GLY 83 N 3.97 0.24 3.60 7.39 0.00 0.40 -4.99 105.19 115.81 3i4k n GLY 83 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 3i4k n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4k s ARG 84 N -0.92 2.17 0.26 1.61 0.52 -0.86 -4.81 118.95 116.92 3i4k s ARG 84 Ca 0.00 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.60 3i4k s ARG 84 Cb 0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 3i4k s ARG 84 CO 0.00 0.41 1.14 0.00 0.02 0.00 0.00 175.30 176.86 3i4k s ALA 85 N -1.96 3.42 0.07 2.13 0.00 -1.26 -0.63 121.76 123.53 3i4k s ALA 85 Ca 0.28 0.94 0.31 0.00 0.00 0.00 0.00 51.96 53.48 3i4k s ALA 85 Cb -0.08 -3.36 1.58 0.00 0.00 0.00 0.00 23.12 21.26 3i4k s ALA 85 CO 0.17 -0.24 1.93 -0.24 0.00 0.00 0.00 175.76 177.38 3i4k h VAL 86 N 3.24 0.00 0.00 0.00 3.04 -1.77 0.22 116.25 120.98 3i4k h VAL 86 Ca -0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3i4k h VAL 86 Cb 1.21 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3i4k h VAL 86 CO 0.68 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.70 3i4k n SER 87 N -2.60 0.03 -0.70 3.17 3.41 -1.26 -1.28 113.62 114.38 3i4k n SER 87 Ca -0.01 -1.54 0.06 0.00 -0.26 0.00 0.00 58.87 57.12 3i4k n SER 87 Cb 0.10 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 3i4k n SER 87 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4k n GLU 88 N -0.48 2.51 -0.07 4.33 1.02 0.07 -4.82 120.64 123.19 3i4k n GLU 88 Ca 0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 57.16 55.13 3i4k n GLU 88 Cb 0.01 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3i4k n GLU 88 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i4k n LEU 89 N 0.68 -0.19 -0.34 -4.62 -0.00 -0.40 0.40 117.00 112.52 3i4k n LEU 89 Ca 0.12 0.55 0.04 0.00 -0.00 0.00 0.00 56.01 56.72 3i4k n LEU 89 Cb 0.43 -0.16 0.19 0.00 -0.00 0.00 0.00 43.42 43.88 3i4k n LEU 89 CO 0.09 -0.37 1.22 0.00 -0.00 0.00 0.00 177.39 178.33 3i4k h ALA 90 N -0.14 1.36 -0.49 1.96 0.00 -1.87 -1.64 119.26 118.43 3i4k h ALA 90 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3i4k h ALA 90 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i4k h ALA 90 CO -0.17 0.30 -0.10 0.78 0.00 0.00 0.00 179.25 180.07 3i4k h GLY 91 N 1.03 0.97 -1.90 0.00 0.00 -0.43 -2.71 103.07 100.02 3i4k h GLY 91 Ca 0.44 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i4k h GLY 91 CO -0.21 0.68 0.00 1.39 0.00 0.00 0.00 176.54 178.40 3i4k n ILE 92 N -4.16 0.24 0.00 2.60 5.41 0.26 -1.81 119.36 121.90 3i4k n ILE 92 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3i4k n ILE 92 Cb 0.38 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 3i4k n ILE 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4k n ALA 94 N 0.82 0.00 0.22 -1.39 0.00 -1.02 -1.38 120.51 117.75 3i4k n ALA 94 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3i4k n ALA 94 Cb 0.13 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.08 3i4k n ALA 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i4k h ASP 95 N 0.00 0.00 0.04 0.00 3.32 -1.65 -2.43 116.42 115.70 3i4k h ASP 95 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3i4k h ASP 95 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3i4k h ASP 95 CO 0.00 0.25 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.64 3i4k h LEU 96 N 0.00 0.07 -1.87 1.55 3.38 -1.52 -1.79 115.31 115.13 3i4k h LEU 96 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i4k h LEU 96 Cb 0.64 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3i4k h LEU 96 CO 0.03 0.16 0.02 -0.33 0.09 0.00 0.00 178.44 178.41 3i4k h GLU 97 N 0.08 0.11 0.00 1.13 4.39 -1.59 0.95 114.58 119.65 3i4k h GLU 97 Ca 0.02 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3i4k h GLU 97 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3i4k h GLU 97 CO 0.01 0.10 -0.19 0.00 -1.16 0.00 0.00 179.01 177.77 3i4k h ARG 98 N 0.11 0.00 0.00 2.33 3.08 -1.44 -3.27 114.38 115.18 3i4k h ARG 98 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i4k h ARG 98 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3i4k h ARG 98 CO -0.00 0.19 -1.27 1.33 -1.07 0.00 0.00 179.97 179.15 3i4k n VAL 99 N -3.59 0.00 -3.60 2.04 0.24 -0.62 -4.97 118.33 107.83 3i4k n VAL 99 Ca -0.01 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 3i4k n VAL 99 Cb 0.33 0.40 -0.13 0.00 -1.47 0.00 0.00 33.84 32.96 3i4k n VAL 99 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i4k s VAL 100 N -2.52 -0.39 0.30 3.34 1.01 0.23 -5.01 120.40 117.36 3i4k s VAL 100 Ca -0.02 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3i4k s VAL 100 Cb 0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 3i4k s VAL 100 CO 0.38 0.03 0.67 0.00 0.00 0.00 0.00 175.10 176.18 3i4k s ALA 101 N 2.39 3.41 0.00 5.51 0.00 -1.26 -4.13 121.76 127.68 3i4k s ALA 101 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3i4k s ALA 101 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3i4k s ALA 101 CO -0.09 0.36 0.00 0.54 0.00 0.00 0.00 175.76 176.57 3i4k n ARG 102 N -0.38 0.00 -3.96 0.00 1.74 -1.26 -4.86 116.66 107.94 3i4k n ARG 102 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 3i4k n ARG 102 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.98 3i4k n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i4k n ALA 103 N 8.55 -1.39 -0.24 7.54 0.00 -1.26 -4.85 120.51 128.86 3i4k n ALA 103 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.55 3i4k n ALA 103 Cb 0.00 -3.88 0.14 0.00 0.00 0.00 0.00 19.45 15.71 3i4k n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4k h ARG 104 N -1.94 0.50 -0.99 0.00 2.47 -1.89 -1.51 114.38 111.03 3i4k h ARG 104 Ca -0.59 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.19 3i4k h ARG 104 Cb 1.38 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 29.51 3i4k h ARG 104 CO 0.68 0.33 0.64 1.88 0.56 0.00 0.00 179.97 184.06 3i4k h TYR 105 N 0.52 1.16 -0.14 3.04 0.05 -1.78 0.19 116.97 120.01 3i4k h TYR 105 Ca 0.35 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.14 3i4k h TYR 105 Cb 0.43 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 3i4k h TYR 105 CO -0.13 0.56 -0.01 0.00 -1.05 0.00 0.00 178.16 177.52 3i4k h ALA 106 N 1.49 0.19 -0.20 3.88 0.00 -1.63 -3.12 119.26 119.86 3i4k h ALA 106 Ca 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i4k h ALA 106 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i4k h ALA 106 CO -0.20 -0.09 0.02 0.87 0.00 0.00 0.00 179.25 179.85 3i4k h LYS 107 N -0.02 0.29 -0.33 0.00 1.57 -0.37 -3.00 116.57 114.71 3i4k h LYS 107 Ca 0.04 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3i4k h LYS 107 Cb 0.40 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3i4k h LYS 107 CO 0.01 0.30 0.01 0.00 -0.57 0.00 0.00 179.45 179.21 3i4k h ALA 108 N 1.74 0.31 -0.56 3.86 0.00 -0.60 -1.49 119.26 122.52 3i4k h ALA 108 Ca 0.07 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3i4k h ALA 108 Cb 0.17 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3i4k h ALA 108 CO 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 179.25 178.95 3i4k h ALA 109 N 1.28 0.63 -0.55 0.00 0.00 -1.61 0.18 119.26 119.18 3i4k h ALA 109 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i4k h ALA 109 Cb 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i4k h ALA 109 CO -0.25 -0.33 0.34 0.28 0.00 0.00 0.00 179.25 179.29 3i4k h VAL 110 N 0.22 1.16 0.08 0.00 2.07 -1.54 0.55 116.25 118.79 3i4k h VAL 110 Ca 0.29 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3i4k h VAL 110 Cb 0.43 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3i4k h VAL 110 CO -0.40 0.16 -0.04 -0.78 0.02 0.00 0.00 177.57 176.53 3i4k h ASP 111 N 0.74 -0.09 -0.52 0.57 1.82 -0.05 -3.01 116.42 115.88 3i4k h ASP 111 Ca 0.20 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 3i4k h ASP 111 Cb -0.04 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 3i4k h ASP 111 CO -0.04 0.01 0.18 0.58 -1.61 0.00 0.00 179.24 178.35 3i4k h VAL 112 N -0.19 1.23 0.00 2.25 2.07 -0.55 -2.14 116.25 118.92 3i4k h VAL 112 Ca -0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3i4k h VAL 112 Cb 0.15 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3i4k h VAL 112 CO 0.02 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.88 3i4k n ALA 113 N -2.36 0.84 0.00 1.67 0.00 0.17 -1.01 120.51 119.82 3i4k n ALA 113 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i4k n ALA 113 Cb 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i4k n ALA 113 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i4k n HIS 115 N 0.45 0.00 -0.07 0.00 8.25 -0.81 -1.62 115.22 121.42 3i4k n HIS 115 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3i4k n HIS 115 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 3i4k n HIS 115 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3i4k h ASP 116 N 0.00 -0.22 -0.49 0.41 3.58 -1.35 0.22 116.42 118.58 3i4k h ASP 116 Ca 0.00 0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 3i4k h ASP 116 Cb 0.00 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3i4k h ASP 116 CO 0.00 -0.07 -0.08 0.00 -2.88 0.00 0.00 179.24 176.20 3i4k h ALA 117 N 1.27 0.67 -0.12 -0.78 0.00 -1.56 -1.17 119.26 117.57 3i4k h ALA 117 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3i4k h ALA 117 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i4k h ALA 117 CO -0.27 0.55 0.04 2.35 0.00 0.00 0.00 179.25 181.91 3i4k h TRP 118 N 0.77 0.20 -0.19 0.00 7.01 -1.74 -2.42 115.95 119.59 3i4k h TRP 118 Ca 0.13 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.13 3i4k h TRP 118 Cb 0.63 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 3i4k h TRP 118 CO 0.05 0.34 0.04 0.00 -2.79 0.00 0.00 178.44 176.08 3i4k h ALA 119 N 0.84 0.19 -0.56 2.65 0.00 -0.48 -2.42 119.26 119.48 3i4k h ALA 119 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i4k h ALA 119 Cb 0.24 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3i4k h ALA 119 CO -0.00 -0.39 0.37 0.00 0.00 0.00 0.00 179.25 179.23 3i4k h ARG 120 N 0.12 0.72 -0.25 0.00 3.08 -1.17 0.99 114.38 117.87 3i4k h ARG 120 Ca 0.08 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3i4k h ARG 120 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3i4k h ARG 120 CO -0.11 0.48 -0.26 0.77 -1.07 0.00 0.00 179.97 179.78 3i4k h SER 121 N 0.74 0.48 0.53 7.04 0.02 -0.97 -2.33 113.55 119.06 3i4k h SER 121 Ca 0.21 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i4k h SER 121 Cb -0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3i4k h SER 121 CO -0.05 0.74 -0.34 0.18 -1.14 0.00 0.00 176.83 176.22 3i4k n LEU 122 N -4.12 0.50 -2.65 5.07 4.77 -0.72 -4.96 117.00 114.90 3i4k n LEU 122 Ca -0.00 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3i4k n LEU 122 Cb 0.41 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3i4k n LEU 122 CO 0.42 0.11 0.13 -3.20 -1.33 0.00 0.00 177.39 173.52 3i4k n ASN 123 N -1.31 -3.67 -4.13 -1.43 5.15 0.27 -5.05 115.26 105.08 3i4k n ASN 123 Ca 0.08 -0.40 -0.11 0.00 -0.60 0.00 0.00 54.58 53.55 3i4k n ASN 123 Cb 0.33 -3.65 -0.10 0.00 -0.53 0.00 0.00 39.78 35.83 3i4k n ASN 123 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i4k s VAL 124 N -3.23 0.62 0.67 3.44 -7.23 -0.77 -4.86 120.40 109.04 3i4k s VAL 124 Ca 0.22 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3i4k s VAL 124 Cb -0.10 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.50 3i4k s VAL 124 CO 0.50 -0.73 1.12 -2.84 -0.31 0.00 0.00 175.10 172.85 3i4k s PRO 125 N -3.14 2.70 0.30 4.82 0.02 -1.24 -1.85 135.00 136.60 3i4k s PRO 125 Ca 0.05 1.44 0.03 0.00 0.02 0.00 0.00 61.00 62.54 3i4k s PRO 125 Cb 0.01 -1.93 0.64 0.00 0.02 0.00 0.00 34.50 33.23 3i4k s PRO 125 CO -0.03 -1.34 1.82 0.28 -0.33 0.00 0.00 177.00 177.40 3i4k h VAL 126 N -0.02 0.84 -0.40 3.83 2.07 -0.67 -0.52 116.25 121.38 3i4k h VAL 126 Ca -0.47 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 66.86 3i4k h VAL 126 Cb 1.25 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3i4k h VAL 126 CO 0.53 0.16 0.38 0.08 0.02 0.00 0.00 177.57 178.75 3i4k h ARG 127 N 0.90 0.00 0.00 1.57 0.11 -1.83 0.21 114.38 115.34 3i4k h ARG 127 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 3i4k h ARG 127 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3i4k h ARG 127 CO -0.30 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.52 3i4k n ASP 128 N -3.90 0.57 -0.43 0.08 9.92 -0.20 -0.22 116.55 122.37 3i4k n ASP 128 Ca 0.07 0.65 0.11 0.00 -0.53 0.00 0.00 54.79 55.09 3i4k n ASP 128 Cb 0.56 -0.77 0.07 0.00 -0.64 0.00 0.00 41.12 40.34 3i4k n ASP 128 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3i4k n LEU 129 N -2.14 1.80 -0.73 0.64 4.77 0.74 -4.22 117.00 117.86 3i4k n LEU 129 Ca 0.02 -0.65 0.05 0.00 -0.03 0.00 0.00 56.01 55.39 3i4k n LEU 129 Cb 0.20 -0.02 0.21 0.00 -2.33 0.00 0.00 43.42 41.47 3i4k n LEU 129 CO 0.18 0.34 0.62 0.18 -1.33 0.00 0.00 177.39 177.38 3i4k n LEU 130 N -0.19 3.43 0.00 2.23 4.77 0.70 -4.95 117.00 122.98 3i4k n LEU 130 Ca 0.10 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 3i4k n LEU 130 Cb 0.44 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3i4k n LEU 130 CO 0.28 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3i4k n GLY 131 N -1.01 0.42 0.06 -0.72 0.00 -1.06 -4.80 105.19 98.08 3i4k n GLY 131 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i4k n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 132 N -1.50 -1.74 3.75 -0.02 0.00 -0.46 -4.98 105.19 100.24 3i4k n GLY 132 Ca 0.00 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 3i4k n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4k s THR 133 N 0.00 4.63 -0.02 2.61 -4.23 -1.26 -3.81 115.64 113.57 3i4k s THR 133 Ca 0.00 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 3i4k s THR 133 Cb 0.00 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 3i4k s THR 133 CO 0.00 0.48 0.02 0.52 -0.54 0.00 0.00 174.62 175.10 3i4k n VAL 134 N 1.65 0.12 -3.65 2.29 0.31 0.23 -4.96 118.33 114.33 3i4k n VAL 134 Ca -0.16 -0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 3i4k n VAL 134 Cb 0.53 -0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 3i4k n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4k s ARG 135 N -2.10 0.92 0.00 5.55 1.70 -1.10 -5.06 118.95 118.87 3i4k s ARG 135 Ca -0.01 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 3i4k s ARG 135 Cb 0.01 0.41 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 3i4k s ARG 135 CO 0.10 -0.31 1.04 -0.40 -1.08 0.00 0.00 175.30 174.65 3i4k n ASP 136 N 0.59 2.17 -3.52 -2.89 5.68 -1.26 -4.60 116.55 112.72 3i4k n ASP 136 Ca -0.19 -1.97 -0.13 0.00 -0.50 0.00 0.00 54.79 52.00 3i4k n ASP 136 Cb 0.59 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 3i4k n ASP 136 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3i4k s LYS 137 N -0.98 1.14 0.02 0.11 -2.85 -1.26 -1.28 119.74 114.64 3i4k s LYS 137 Ca 0.05 -0.39 -0.05 0.00 -1.00 0.00 0.00 55.97 54.58 3i4k s LYS 137 Cb 0.03 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 3i4k s LYS 137 CO 0.03 -0.45 0.08 0.14 0.10 0.00 0.00 175.35 175.25 3i4k s VAL 138 N -3.16 0.11 0.51 1.79 -7.23 -0.70 -4.94 120.40 106.78 3i4k s VAL 138 Ca -0.01 -0.94 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 3i4k s VAL 138 Cb -0.00 -0.63 -0.07 0.00 0.56 0.00 0.00 36.38 36.23 3i4k s VAL 138 CO -0.08 -0.52 1.08 -1.81 -0.31 0.00 0.00 175.10 173.47 3i4k s ASP 139 N -1.77 6.04 -0.05 4.85 1.01 -1.26 -1.32 116.67 124.17 3i4k s ASP 139 Ca -0.10 2.06 0.04 0.00 0.71 0.00 0.00 52.55 55.26 3i4k s ASP 139 Cb -0.05 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3i4k s ASP 139 CO -0.02 -0.99 -0.17 -0.69 0.21 0.00 0.00 175.17 173.50 3i4k s VAL 140 N -1.87 1.48 -0.19 -1.27 1.01 0.56 -1.81 120.40 118.31 3i4k s VAL 140 Ca 0.70 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3i4k s VAL 140 Cb -0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3i4k s VAL 140 CO 0.24 0.43 0.11 -0.89 0.00 0.00 0.00 175.10 174.98 3i4k s THR 141 N 0.17 5.26 -0.19 3.92 2.01 0.27 -4.46 115.64 122.62 3i4k s THR 141 Ca -0.07 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 3i4k s THR 141 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3i4k s THR 141 CO 0.03 0.45 0.34 0.86 -0.69 0.00 0.00 174.62 175.61 3i4k s TRP 142 N 0.34 3.40 -0.18 4.92 -0.11 -0.94 -4.42 118.94 121.96 3i4k s TRP 142 Ca 0.07 0.57 -0.11 0.00 1.22 0.00 0.00 56.10 57.85 3i4k s TRP 142 Cb -0.11 -2.44 -0.05 0.00 -1.50 0.00 0.00 33.47 29.37 3i4k s TRP 142 CO -0.01 0.08 0.20 0.00 -4.62 0.00 0.00 176.95 172.60 3i4k s ALA 143 N 0.98 3.66 -0.26 5.86 0.00 -1.26 -0.83 121.76 129.92 3i4k s ALA 143 Ca 0.17 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 3i4k s ALA 143 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 3i4k s ALA 143 CO 0.06 0.17 0.14 -0.51 0.00 0.00 0.00 175.76 175.62 3i4k s LEU 144 N 0.29 3.84 0.00 0.00 1.02 0.18 -4.92 118.68 119.10 3i4k s LEU 144 Ca 0.12 -0.04 -0.23 0.00 0.02 0.00 0.00 54.13 53.99 3i4k s LEU 144 Cb -0.12 -2.05 0.35 0.00 0.02 0.00 0.00 46.19 44.40 3i4k s LEU 144 CO 0.01 -0.01 0.99 0.61 0.02 0.00 0.00 176.35 177.97 3i4k n GLY 145 N 4.78 -3.40 3.63 -3.19 0.00 -1.26 -1.67 105.19 104.08 3i4k n GLY 145 Ca -0.15 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3i4k n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 146 N -2.56 3.67 0.17 1.61 0.11 -1.06 -4.56 120.40 117.79 3i4k s VAL 146 Ca 0.70 0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 60.50 3i4k s VAL 146 Cb -0.10 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 3i4k s VAL 146 CO 0.56 -0.26 0.09 -0.76 -3.33 0.00 0.00 175.10 171.40 3i4k s LEU 147 N 5.15 1.49 1.10 2.54 1.43 -1.26 -4.68 118.68 124.46 3i4k s LEU 147 Ca 0.72 -1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3i4k s LEU 147 Cb -0.26 0.30 0.25 0.00 0.03 0.00 0.00 46.19 46.51 3i4k s LEU 147 CO 0.29 -0.77 1.06 -2.84 0.23 0.00 0.00 176.35 174.32 3i4k s PRO 148 N -4.09 -0.46 0.00 1.29 0.02 -1.26 -4.83 135.00 125.67 3i4k s PRO 148 Ca 0.32 1.00 0.07 0.00 0.02 0.00 0.00 61.00 62.42 3i4k s PRO 148 Cb 0.07 -1.59 0.38 0.00 0.02 0.00 0.00 34.50 33.38 3i4k s PRO 148 CO 0.07 -3.46 1.06 -0.11 -0.33 0.00 0.00 177.00 174.23 3i4k n LEU 149 N -4.75 0.00 -0.01 -5.54 7.94 -1.26 -3.02 117.00 110.35 3i4k n LEU 149 Ca 0.05 0.24 -0.01 0.00 -1.11 0.00 0.00 56.01 55.18 3i4k n LEU 149 Cb 0.54 -0.24 -0.01 0.00 0.53 0.00 0.00 43.42 44.23 3i4k n LEU 149 CO 0.55 -0.19 -0.58 0.47 -1.11 0.00 0.00 177.39 176.54 3i4k n ASP 150 N -1.24 4.09 0.02 1.96 9.92 -1.26 -4.38 116.55 125.65 3i4k n ASP 150 Ca 0.04 -0.01 0.05 0.00 -0.53 0.00 0.00 54.79 54.34 3i4k n ASP 150 Cb 0.05 0.21 0.45 0.00 -0.64 0.00 0.00 41.12 41.19 3i4k n ASP 150 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3i4k h VAL 151 N 0.00 1.08 -0.00 2.53 2.07 -1.91 -2.48 116.25 117.54 3i4k h VAL 151 Ca -0.06 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3i4k h VAL 151 Cb 1.10 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3i4k h VAL 151 CO -0.00 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 3i4k h ALA 152 N 1.76 0.01 -0.14 1.67 0.00 -1.80 -2.28 119.26 118.48 3i4k h ALA 152 Ca 0.15 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3i4k h ALA 152 Cb -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i4k h ALA 152 CO -0.03 -0.07 0.17 0.28 0.00 0.00 0.00 179.25 179.60 3i4k h VAL 153 N -0.68 0.43 0.00 0.00 2.07 -1.72 -1.87 116.25 114.48 3i4k h VAL 153 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3i4k h VAL 153 Cb 0.81 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3i4k h VAL 153 CO 0.01 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.21 3i4k h ALA 154 N 1.79 0.08 -0.97 1.67 0.00 -1.47 -3.25 119.26 117.11 3i4k h ALA 154 Ca 0.07 -0.66 0.18 0.00 0.00 0.00 0.00 54.91 54.50 3i4k h ALA 154 Cb 0.41 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3i4k h ALA 154 CO -0.00 0.23 0.61 1.49 0.00 0.00 0.00 179.25 181.58 3i4k h GLU 155 N -1.00 0.66 -0.19 0.00 4.81 -0.94 -1.13 114.58 116.79 3i4k h GLU 155 Ca -0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3i4k h GLU 155 Cb 0.97 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3i4k h GLU 155 CO -0.06 0.44 0.06 0.82 -0.73 0.00 0.00 179.01 179.54 3i4k h ILE 156 N 0.68 1.18 -0.99 2.32 2.04 -1.49 0.17 117.51 121.42 3i4k h ILE 156 Ca 0.52 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3i4k h ILE 156 Cb 0.91 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 3i4k h ILE 156 CO -0.29 0.18 0.65 -0.33 0.00 0.00 0.00 178.15 178.36 3i4k h GLU 157 N 0.13 1.24 -0.06 2.37 4.39 -1.28 -1.92 114.58 119.45 3i4k h GLU 157 Ca 0.06 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3i4k h GLU 157 Cb 0.22 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3i4k h GLU 157 CO -0.00 0.82 -0.03 1.49 -1.16 0.00 0.00 179.01 180.12 3i4k h GLU 158 N 1.28 0.13 -0.49 2.33 4.81 -1.00 -2.81 114.58 118.84 3i4k h GLU 158 Ca 0.39 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 3i4k h GLU 158 Cb -0.04 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 3i4k h GLU 158 CO -0.11 0.52 0.17 0.00 -0.73 0.00 0.00 179.01 178.86 3i4k h ARG 159 N -0.26 0.33 -0.44 1.92 2.47 -0.37 0.25 114.38 118.27 3i4k h ARG 159 Ca 0.01 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3i4k h ARG 159 Cb 0.49 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 3i4k h ARG 159 CO 0.01 0.22 0.28 0.82 0.56 0.00 0.00 179.97 181.86 3i4k h ILE 160 N 0.34 1.08 0.25 2.04 2.04 -1.41 0.47 117.51 122.33 3i4k h ILE 160 Ca 0.23 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3i4k h ILE 160 Cb 0.25 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3i4k h ILE 160 CO -0.24 0.10 -0.12 -0.33 0.00 0.00 0.00 178.15 177.56 3i4k h GLU 161 N 0.57 -0.32 0.14 2.37 4.39 -1.06 -0.36 114.58 120.31 3i4k h GLU 161 Ca 0.17 0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.69 3i4k h GLU 161 Cb -0.03 0.07 0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3i4k h GLU 161 CO -0.06 -0.12 -0.86 1.49 -1.16 0.00 0.00 179.01 178.30 3i4k h GLU 162 N -0.46 0.34 0.00 2.33 4.81 -0.48 -3.40 114.58 117.72 3i4k h GLU 162 Ca -0.03 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3i4k h GLU 162 Cb 0.34 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3i4k h GLU 162 CO 0.06 1.25 -1.06 1.19 -0.73 0.00 0.00 179.01 179.71 3i4k n PHE 163 N -4.09 0.00 -1.12 0.92 3.72 0.14 -4.87 117.46 112.16 3i4k n PHE 163 Ca -0.14 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.22 3i4k n PHE 163 Cb 0.84 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 39.23 3i4k n PHE 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i4k n GLY 164 N 1.75 0.70 3.73 1.37 0.00 0.37 0.20 105.19 113.30 3i4k n GLY 164 Ca -0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3i4k n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4k n ASN 165 N 0.91 3.27 -0.00 1.61 4.13 -1.25 -2.52 115.26 121.41 3i4k n ASN 165 Ca -0.04 1.19 0.07 0.00 1.68 0.00 0.00 54.58 57.49 3i4k n ASN 165 Cb 0.16 -1.54 -0.09 0.00 -1.54 0.00 0.00 39.78 36.77 3i4k n ASN 165 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3i4k n ARG 166 N 1.00 1.85 -4.47 3.52 1.74 -1.26 -4.54 116.66 114.50 3i4k n ARG 166 Ca 0.05 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 3i4k n ARG 166 Cb 0.36 -1.23 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 3i4k n ARG 166 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i4k s SER 167 N -2.53 1.33 -0.03 0.55 1.04 -1.26 -2.27 113.70 110.52 3i4k s SER 167 Ca 0.05 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.33 3i4k s SER 167 Cb 0.11 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3i4k s SER 167 CO 0.63 0.11 -0.18 -0.36 0.98 0.00 0.00 173.24 174.42 3i4k s PHE 168 N -0.06 1.68 -0.19 5.02 0.08 0.06 -2.21 117.98 122.36 3i4k s PHE 168 Ca 0.01 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3i4k s PHE 168 Cb -0.06 -1.10 -0.00 0.00 -0.57 0.00 0.00 43.02 41.28 3i4k s PHE 168 CO 0.00 -0.09 -0.09 0.21 -0.10 0.00 0.00 175.22 175.15 3i4k s LYS 169 N -0.23 3.31 -0.27 0.44 2.20 -0.01 -1.00 119.74 124.18 3i4k s LYS 169 Ca 0.02 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 54.86 3i4k s LYS 169 Cb -0.09 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 3i4k s LYS 169 CO 0.01 -0.09 0.16 -0.51 -0.36 0.00 0.00 175.35 174.55 3i4k s LEU 170 N 1.15 3.89 0.71 5.43 1.43 0.87 0.52 118.68 132.68 3i4k s LEU 170 Ca 0.01 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3i4k s LEU 170 Cb -0.14 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3i4k s LEU 170 CO -0.03 -0.04 1.08 -0.54 0.23 0.00 0.00 176.35 177.06 3i4k s LYS 171 N 1.66 2.85 0.00 1.70 1.02 -0.67 -1.51 119.74 124.80 3i4k s LYS 171 Ca 0.07 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3i4k s LYS 171 Cb -0.16 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3i4k s LYS 171 CO 0.09 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 3i4k n GLY 173 N -2.67 2.96 3.68 -3.33 0.00 -1.26 -4.11 105.19 100.46 3i4k n GLY 173 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3i4k n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4k s ALA 174 N -2.65 3.47 0.00 4.61 0.00 -1.25 -4.69 121.76 121.25 3i4k s ALA 174 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3i4k s ALA 174 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3i4k s ALA 174 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3i4k n GLY 175 N 3.48 -1.48 3.70 0.00 0.00 -1.26 -4.86 105.19 104.76 3i4k n GLY 175 Ca 0.00 -1.26 -0.54 0.00 0.00 0.00 0.00 46.02 44.22 3i4k n GLY 175 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4k n ASP 176 N -0.44 2.72 -0.29 1.61 2.03 -1.26 -4.89 116.55 116.03 3i4k n ASP 176 Ca 0.00 1.04 0.02 0.00 0.52 0.00 0.00 54.79 56.38 3i4k n ASP 176 Cb 0.00 -1.22 0.16 0.00 -0.72 0.00 0.00 41.12 39.34 3i4k n ASP 176 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i4k h PRO 177 N 7.77 0.81 -0.06 -0.67 0.11 -1.95 -1.79 132.00 136.22 3i4k h PRO 177 Ca -0.47 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3i4k h PRO 177 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3i4k h PRO 177 CO 0.95 0.53 -0.08 0.00 -0.21 0.00 0.00 178.00 179.20 3i4k h ALA 178 N 1.44 -0.03 -0.31 -0.75 0.00 -1.99 0.33 119.26 117.95 3i4k h ALA 178 Ca 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 3i4k h ALA 178 Cb 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i4k h ALA 178 CO -0.23 -0.55 0.17 0.93 0.00 0.00 0.00 179.25 179.57 3i4k h GLU 179 N -0.11 0.42 -0.53 0.00 5.08 -1.90 0.01 114.58 117.55 3i4k h GLU 179 Ca 0.05 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3i4k h GLU 179 Cb 0.18 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3i4k h GLU 179 CO -0.12 0.35 0.14 0.22 -1.00 0.00 0.00 179.01 178.60 3i4k h ASP 180 N 0.38 0.08 -0.31 1.42 1.82 -0.95 0.84 116.42 119.70 3i4k h ASP 180 Ca 0.11 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 3i4k h ASP 180 Cb 0.05 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3i4k h ASP 180 CO -0.02 0.07 0.17 0.74 -1.61 0.00 0.00 179.24 178.59 3i4k h THR 181 N 0.30 1.14 -0.10 2.25 2.02 0.07 -2.37 112.91 116.22 3i4k h THR 181 Ca 0.26 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.12 3i4k h THR 181 Cb 0.34 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3i4k h THR 181 CO -0.31 0.14 -0.15 -0.09 0.37 0.00 0.00 175.52 175.48 3i4k h ARG 182 N 0.39 -0.19 -0.19 6.66 9.65 -0.00 0.84 114.38 131.53 3i4k h ARG 182 Ca 0.11 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 3i4k h ARG 182 Cb 0.07 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 3i4k h ARG 182 CO -0.02 -0.13 -0.36 -0.09 2.80 0.00 0.00 179.97 182.17 3i4k h ARG 183 N -0.20 -0.30 -0.80 0.20 2.43 -0.65 -1.26 114.38 113.79 3i4k h ARG 183 Ca 0.08 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3i4k h ARG 183 Cb 0.32 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3i4k h ARG 183 CO -0.22 -0.20 0.47 0.28 -1.51 0.00 0.00 179.97 178.79 3i4k h VAL 184 N -0.32 1.23 -0.61 0.20 2.07 -1.28 -2.26 116.25 115.29 3i4k h VAL 184 Ca 0.04 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3i4k h VAL 184 Cb 0.42 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3i4k h VAL 184 CO -0.35 0.24 0.29 0.00 0.02 0.00 0.00 177.57 177.77 3i4k h ALA 185 N 1.25 0.80 -0.08 1.67 0.00 -0.40 0.25 119.26 122.75 3i4k h ALA 185 Ca 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i4k h ALA 185 Cb -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i4k h ALA 185 CO -0.05 -0.09 -0.02 0.93 0.00 0.00 0.00 179.25 180.01 3i4k h GLU 186 N 0.52 0.16 -0.84 0.00 5.08 -1.01 -1.78 114.58 116.71 3i4k h GLU 186 Ca 0.29 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 3i4k h GLU 186 Cb 0.27 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3i4k h GLU 186 CO -0.23 0.49 0.54 1.25 -1.00 0.00 0.00 179.01 180.07 3i4k h LEU 187 N -0.19 0.67 -0.86 1.33 6.46 -1.05 -0.25 115.31 121.43 3i4k h LEU 187 Ca 0.02 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.69 3i4k h LEU 187 Cb 0.44 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3i4k h LEU 187 CO 0.01 0.38 -0.38 0.00 -0.62 0.00 0.00 178.44 177.84 3i4k h ALA 188 N 1.59 1.03 0.00 1.25 0.00 -0.25 0.61 119.26 123.49 3i4k h ALA 188 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 188 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i4k h ALA 188 CO -0.16 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3i4k h ARG 189 N 0.32 0.00 0.03 0.00 3.08 -0.18 0.48 114.38 118.12 3i4k h ARG 189 Ca 0.03 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.72 3i4k h ARG 189 Cb 0.81 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3i4k h ARG 189 CO 0.07 0.00 -2.19 0.39 -1.07 0.00 0.00 179.97 177.16 3i4k n GLU 190 N -2.34 0.69 -0.01 0.04 1.02 -0.67 -4.68 120.64 114.69 3i4k n GLU 190 Ca 0.05 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.38 3i4k n GLU 190 Cb 0.40 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 3i4k n GLU 190 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i4k n VAL 191 N -3.17 0.06 -0.27 2.62 0.31 0.17 -4.66 118.33 113.39 3i4k n VAL 191 Ca -0.34 -0.15 0.33 0.00 -0.01 0.00 0.00 64.34 64.17 3i4k n VAL 191 Cb 1.05 0.16 0.72 0.00 -0.91 0.00 0.00 33.84 34.87 3i4k n VAL 191 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i4k h GLY 192 N 1.11 0.00 0.85 2.92 0.00 -0.16 -0.78 103.07 107.01 3i4k h GLY 192 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3i4k h GLY 192 CO 0.00 0.00 0.01 -0.55 0.00 0.00 0.00 176.54 176.00 3i4k h ASP 193 N 0.00 0.03 0.02 0.19 3.32 -1.83 -3.36 116.42 114.78 3i4k h ASP 193 Ca 0.52 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 3i4k h ASP 193 Cb 2.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.77 3i4k h ASP 193 CO -0.01 0.18 -0.20 0.03 -1.72 0.00 0.00 179.24 177.52 3i4k h ARG 194 N -0.12 0.03 -5.80 3.56 3.08 -1.48 -3.48 114.38 110.17 3i4k h ARG 194 Ca 0.01 -0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 3i4k h ARG 194 Cb 0.16 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 3i4k h ARG 194 CO -0.00 1.03 -0.48 0.14 -1.07 0.00 0.00 179.97 179.59 3i4k s VAL 195 N -2.26 2.05 -0.32 2.04 -7.23 -0.95 -5.07 120.40 108.65 3i4k s VAL 195 Ca -0.19 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 3i4k s VAL 195 Cb -0.02 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 3i4k s VAL 195 CO 0.70 0.00 0.63 -0.55 -0.31 0.00 0.00 175.10 175.57 3i4k s SER 196 N -3.94 6.48 -0.17 4.85 0.15 -0.96 -4.52 113.70 115.59 3i4k s SER 196 Ca 0.35 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 57.27 3i4k s SER 196 Cb 0.03 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 3i4k s SER 196 CO 0.20 -0.52 0.10 -0.76 1.20 0.00 0.00 173.24 173.46 3i4k s LEU 197 N 2.65 4.06 0.21 3.45 1.43 -1.26 -0.76 118.68 128.46 3i4k s LEU 197 Ca 0.25 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3i4k s LEU 197 Cb -0.15 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3i4k s LEU 197 CO 0.13 0.24 -0.08 -0.13 0.23 0.00 0.00 176.35 176.74 3i4k s ARG 198 N -0.03 1.29 0.13 1.70 3.00 -0.17 -1.34 118.95 123.52 3i4k s ARG 198 Ca 0.08 -1.61 0.03 0.00 0.00 0.00 0.00 55.73 54.23 3i4k s ARG 198 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 34.95 33.95 3i4k s ARG 198 CO 0.00 0.05 -0.06 0.96 0.00 0.00 0.00 175.30 176.25 3i4k s ILE 199 N -3.21 0.84 -0.13 1.52 -5.25 -0.66 -0.09 121.20 114.22 3i4k s ILE 199 Ca 0.24 -1.98 -0.05 0.00 -0.99 0.00 0.00 60.65 57.87 3i4k s ILE 199 Cb 0.03 -1.81 0.06 0.00 2.95 0.00 0.00 42.46 43.69 3i4k s ILE 199 CO 0.06 -0.76 0.27 -0.62 -1.79 0.00 0.00 174.94 172.10 3i4k s ASP 200 N -3.11 0.25 -0.02 4.36 -1.08 -0.57 -0.47 116.67 116.04 3i4k s ASP 200 Ca 0.15 0.60 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 3i4k s ASP 200 Cb 0.05 0.67 0.45 0.00 -1.46 0.00 0.00 42.92 42.63 3i4k s ASP 200 CO -0.02 -0.23 1.37 -0.38 0.52 0.00 0.00 175.17 176.44 3i4k n ILE 201 N 5.19 1.14 -3.75 4.11 5.41 -1.11 -4.33 119.36 126.02 3i4k n ILE 201 Ca -0.09 -1.07 -0.28 0.00 1.00 0.00 0.00 62.75 62.31 3i4k n ILE 201 Cb 0.50 0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 39.83 3i4k n ILE 201 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3i4k n ASN 202 N 0.83 -2.71 -1.29 4.38 3.02 -1.14 -0.12 115.26 118.24 3i4k n ASN 202 Ca 0.17 -0.63 -0.17 0.00 -0.03 0.00 0.00 54.58 53.93 3i4k n ASN 202 Cb 0.54 -2.28 -0.07 0.00 -0.61 0.00 0.00 39.78 37.36 3i4k n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4k n ALA 203 N -3.70 -0.26 0.03 5.41 0.00 0.24 -4.90 120.51 117.32 3i4k n ALA 203 Ca 0.05 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.81 3i4k n ALA 203 Cb 0.50 -1.74 0.25 0.00 0.00 0.00 0.00 19.45 18.45 3i4k n ALA 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i4k n ARG 204 N -2.52 3.02 -4.86 0.00 5.12 0.84 -3.74 116.66 114.52 3i4k n ARG 204 Ca -0.17 -1.93 -0.30 0.00 -1.93 0.00 0.00 57.85 53.51 3i4k n ARG 204 Cb 0.55 -1.77 -0.14 0.00 -1.16 0.00 0.00 32.46 29.94 3i4k n ARG 204 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3i4k s TRP 205 N -1.85 2.40 0.70 -1.55 0.52 -0.96 -5.00 118.94 113.20 3i4k s TRP 205 Ca 0.34 -0.36 -0.10 0.00 0.02 0.00 0.00 56.10 56.00 3i4k s TRP 205 Cb 0.23 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3i4k s TRP 205 CO 0.15 0.16 1.06 0.16 0.02 0.00 0.00 176.95 178.49 3i4k s ASP 206 N -1.25 5.27 0.18 2.95 1.47 -1.26 -4.13 116.67 119.89 3i4k s ASP 206 Ca 0.12 0.93 -0.19 0.00 1.18 0.00 0.00 52.55 54.59 3i4k s ASP 206 Cb -0.10 -1.70 0.12 0.00 -0.34 0.00 0.00 42.92 40.89 3i4k s ASP 206 CO 0.03 -1.40 1.62 -0.09 0.68 0.00 0.00 175.17 176.01 3i4k h ARG 207 N -0.62 -0.14 -0.32 2.11 2.43 -2.00 -2.29 114.38 113.55 3i4k h ARG 207 Ca -0.45 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 3i4k h ARG 207 Cb 1.27 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 3i4k h ARG 207 CO 0.63 -0.09 0.08 -0.09 -1.51 0.00 0.00 179.97 178.99 3i4k h ARG 208 N -0.15 0.20 -0.42 0.20 2.43 -1.99 -1.64 114.38 113.01 3i4k h ARG 208 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3i4k h ARG 208 Cb 0.48 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3i4k h ARG 208 CO -0.55 0.13 0.28 1.15 -1.51 0.00 0.00 179.97 179.47 3i4k h THR 209 N 0.20 1.11 -0.41 0.20 2.02 -1.85 -0.38 112.91 113.79 3i4k h THR 209 Ca 0.15 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3i4k h THR 209 Cb 0.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3i4k h THR 209 CO -0.18 0.10 0.21 0.00 0.37 0.00 0.00 175.52 176.02 3i4k h ALA 210 N 1.16 0.53 0.00 6.16 0.00 -1.17 -0.71 119.26 125.23 3i4k h ALA 210 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i4k h ALA 210 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i4k h ALA 210 CO -0.04 0.08 -0.19 -0.07 0.00 0.00 0.00 179.25 179.03 3i4k h LEU 211 N 0.53 0.00 0.10 0.00 3.38 -1.02 -0.22 115.31 118.07 3i4k h LEU 211 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3i4k h LEU 211 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 3i4k h LEU 211 CO -0.02 0.19 -0.68 -0.74 0.09 0.00 0.00 178.44 177.28 3i4k h HIS 212 N 0.00 0.49 0.02 1.13 2.76 -0.51 -3.42 115.15 115.62 3i4k h HIS 212 Ca -0.00 -0.34 -0.34 0.00 -2.20 0.00 0.00 60.37 57.49 3i4k h HIS 212 Cb 0.38 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 3i4k h HIS 212 CO 0.00 1.24 -2.04 0.66 -1.30 0.00 0.00 177.93 176.49 3i4k n TYR 213 N -4.20 0.61 0.01 5.26 4.01 -0.32 -4.40 117.16 118.12 3i4k n TYR 213 Ca -0.13 0.20 0.21 0.00 -0.16 0.00 0.00 57.90 58.02 3i4k n TYR 213 Cb 0.75 -1.10 0.71 0.00 -0.31 0.00 0.00 39.34 39.38 3i4k n TYR 213 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i4k h LEU 214 N 0.01 0.00 -1.81 7.72 3.38 -1.24 0.05 115.31 123.42 3i4k h LEU 214 Ca -0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3i4k h LEU 214 Cb 2.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.83 3i4k h LEU 214 CO 0.05 0.00 -0.13 -0.65 0.09 0.00 0.00 178.44 177.80 3i4k h PRO 215 N 0.00 0.00 -0.11 1.13 0.11 -1.79 0.26 132.00 131.60 3i4k h PRO 215 Ca 0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 3i4k h PRO 215 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i4k h PRO 215 CO -0.00 0.13 -0.04 0.82 -0.21 0.00 0.00 178.00 178.70 3i4k h ILE 216 N 0.00 1.30 -0.21 4.15 2.04 -1.25 -1.87 117.51 121.66 3i4k h ILE 216 Ca -0.00 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 3i4k h ILE 216 Cb 0.25 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3i4k h ILE 216 CO 0.02 0.29 -0.09 -0.07 0.00 0.00 0.00 178.15 178.29 3i4k h LEU 217 N -0.11 0.31 -0.36 1.44 3.38 -1.38 -0.33 115.31 118.26 3i4k h LEU 217 Ca 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3i4k h LEU 217 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3i4k h LEU 217 CO 0.01 0.45 -0.01 0.00 0.09 0.00 0.00 178.44 178.98 3i4k h ALA 218 N 1.59 0.48 -0.42 1.53 0.00 -0.85 -0.63 119.26 120.97 3i4k h ALA 218 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3i4k h ALA 218 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i4k h ALA 218 CO 0.02 0.26 -0.11 1.49 0.00 0.00 0.00 179.25 180.90 3i4k h GLU 219 N 0.45 0.75 0.00 0.00 4.81 -0.82 -2.35 114.58 117.40 3i4k h GLU 219 Ca 0.10 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3i4k h GLU 219 Cb 0.47 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3i4k h GLU 219 CO 0.02 0.83 -0.13 0.00 -0.73 0.00 0.00 179.01 179.00 3i4k h ALA 220 N 1.20 1.18 0.00 2.92 0.00 -0.86 -3.46 119.26 120.23 3i4k h ALA 220 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 220 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i4k h ALA 220 CO 0.04 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3i4k n GLY 221 N -0.43 1.32 3.72 0.00 0.00 -0.80 -4.35 105.19 104.64 3i4k n GLY 221 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3i4k n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4k s VAL 222 N -2.00 3.01 -1.78 1.61 1.01 -0.31 -4.71 120.40 117.23 3i4k s VAL 222 Ca 0.00 0.74 0.23 0.00 0.00 0.00 0.00 61.98 62.96 3i4k s VAL 222 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.94 3i4k s VAL 222 CO 0.00 0.07 1.21 -0.62 0.00 0.00 0.00 175.10 175.75 3i4k n GLU 223 N 3.69 0.90 -3.69 2.72 1.02 -0.45 -4.58 120.64 120.25 3i4k n GLU 223 Ca 0.11 -0.69 -0.10 0.00 -0.02 0.00 0.00 57.16 56.46 3i4k n GLU 223 Cb 0.41 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3i4k n GLU 223 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i4k s LEU 224 N -2.58 -0.20 -0.43 -4.62 2.96 -1.24 -4.07 118.68 108.51 3i4k s LEU 224 Ca 0.18 0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 54.98 3i4k s LEU 224 Cb 0.18 1.46 0.10 0.00 0.50 0.00 0.00 46.19 48.43 3i4k s LEU 224 CO 0.60 -0.20 0.26 -0.36 -1.32 0.00 0.00 176.35 175.33 3i4k s PHE 225 N 1.46 3.41 -0.12 5.38 0.08 -0.24 -1.65 117.98 126.30 3i4k s PHE 225 Ca -0.09 -1.83 -0.24 0.00 0.12 0.00 0.00 56.93 54.89 3i4k s PHE 225 Cb -0.08 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.21 3i4k s PHE 225 CO -0.14 -0.92 0.73 -2.00 -0.10 0.00 0.00 175.22 172.80 3i4k s GLU 226 N 1.34 4.36 -0.09 0.44 2.12 0.38 -4.34 118.70 122.90 3i4k s GLU 226 Ca 0.04 0.88 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 3i4k s GLU 226 Cb -0.24 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3i4k s GLU 226 CO -0.00 -0.11 0.06 0.94 -0.54 0.00 0.00 175.26 175.61 3i4k n GLN 227 N 4.44 -0.24 0.14 4.30 -0.06 -1.26 -2.76 117.38 121.93 3i4k n GLN 227 Ca 0.00 0.02 0.13 0.00 -2.00 0.00 0.00 57.00 55.16 3i4k n GLN 227 Cb 0.50 -0.15 0.38 0.00 -4.06 0.00 0.00 30.24 26.92 3i4k n GLN 227 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3i4k h PRO 228 N 1.03 0.00 -5.31 3.69 0.13 -1.90 0.69 132.00 130.33 3i4k h PRO 228 Ca -0.07 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.55 3i4k h PRO 228 Cb 0.15 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.14 3i4k h PRO 228 CO 0.04 0.00 -0.60 0.95 -0.23 0.00 0.00 178.00 178.16 3i4k s THR 229 N -3.18 1.35 0.32 1.56 -4.23 -1.26 -2.26 115.64 107.94 3i4k s THR 229 Ca 0.09 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.34 3i4k s THR 229 Cb 0.10 -2.82 -0.15 0.00 1.34 0.00 0.00 72.50 70.98 3i4k s THR 229 CO 0.58 0.00 0.62 -2.65 -0.54 0.00 0.00 174.62 172.63 3i4k n PRO 230 N -0.76 0.55 -0.32 3.99 -0.02 -1.25 -4.29 135.00 132.91 3i4k n PRO 230 Ca -0.03 0.20 0.02 0.00 -2.02 0.00 0.00 63.50 61.67 3i4k n PRO 230 Cb 0.67 -1.40 0.17 0.00 -0.02 0.00 0.00 33.50 32.92 3i4k n PRO 230 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i4k h ALA 231 N 1.13 1.27 0.00 3.55 0.00 -1.89 -2.66 119.26 120.66 3i4k h ALA 231 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i4k h ALA 231 Cb 1.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i4k h ALA 231 CO 0.55 0.26 -0.02 0.38 0.00 0.00 0.00 179.25 180.42 3i4k h ASP 232 N 0.97 0.00 -2.00 0.00 2.03 -1.90 -3.40 116.42 112.12 3i4k h ASP 232 Ca 0.41 0.00 -0.76 0.00 -0.73 0.00 0.00 57.03 55.95 3i4k h ASP 232 Cb 0.26 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.58 3i4k h ASP 232 CO -0.20 0.02 1.53 -0.67 -1.03 0.00 0.00 179.24 178.89 3i4k n ASP 233 N -3.12 5.28 -0.01 4.15 -0.08 -1.00 -4.79 116.55 116.97 3i4k n ASP 233 Ca 0.01 -3.07 -0.02 0.00 -1.51 0.00 0.00 54.79 50.20 3i4k n ASP 233 Cb 0.35 -1.50 0.23 0.00 2.34 0.00 0.00 41.12 42.54 3i4k n ASP 233 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3i4k h LEU 234 N 8.43 0.54 -1.45 -2.67 3.38 -1.84 -2.77 115.31 118.93 3i4k h LEU 234 Ca 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i4k h LEU 234 Cb 0.75 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3i4k h LEU 234 CO 1.39 0.69 0.14 -0.33 0.09 0.00 0.00 178.44 180.42 3i4k h GLU 235 N 0.51 0.51 -0.42 1.13 5.08 -1.92 -2.07 114.58 117.40 3i4k h GLU 235 Ca 0.09 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3i4k h GLU 235 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3i4k h GLU 235 CO 0.03 0.43 -0.29 1.15 -1.00 0.00 0.00 179.01 179.33 3i4k h THR 236 N 0.51 1.27 -0.75 1.13 2.02 -1.90 0.12 112.91 115.31 3i4k h THR 236 Ca 0.13 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.86 3i4k h THR 236 Cb 0.11 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3i4k h THR 236 CO -0.01 0.49 0.49 -0.07 0.37 0.00 0.00 175.52 176.79 3i4k h LEU 237 N 0.78 0.85 -0.31 2.58 3.38 -1.34 -0.47 115.31 120.77 3i4k h LEU 237 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3i4k h LEU 237 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3i4k h LEU 237 CO 0.08 0.61 0.04 -0.09 0.09 0.00 0.00 178.44 179.17 3i4k h ARG 238 N 1.00 0.53 -0.63 1.13 9.65 -1.09 -3.07 114.38 121.90 3i4k h ARG 238 Ca 0.28 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3i4k h ARG 238 Cb -0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 3i4k h ARG 238 CO -0.07 0.63 0.24 1.49 2.80 0.00 0.00 179.97 185.05 3i4k h GLU 239 N 0.35 0.92 -0.67 0.20 4.57 -0.16 -1.58 114.58 118.21 3i4k h GLU 239 Ca 0.09 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3i4k h GLU 239 Cb 0.36 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3i4k h GLU 239 CO 0.01 0.76 0.18 -0.84 -1.18 0.00 0.00 179.01 177.94 3i4k h ILE 240 N 0.90 1.25 -0.61 2.32 3.07 -1.07 -0.71 117.51 122.67 3i4k h ILE 240 Ca 0.21 -0.91 -0.07 0.00 1.55 0.00 0.00 64.86 65.64 3i4k h ILE 240 Cb 0.20 0.55 -0.03 0.00 -0.27 0.00 0.00 36.82 37.27 3i4k h ILE 240 CO -0.02 0.35 0.09 0.74 -1.05 0.00 0.00 178.15 178.27 3i4k h THR 241 N 1.00 1.25 -0.44 0.16 2.02 -1.36 -1.03 112.91 114.51 3i4k h THR 241 Ca 0.21 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 3i4k h THR 241 Cb 0.33 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3i4k h THR 241 CO -0.00 0.37 0.08 0.03 0.37 0.00 0.00 175.52 176.37 3i4k h ARG 242 N 0.93 0.67 0.00 6.66 3.08 -0.44 0.54 114.38 125.83 3i4k h ARG 242 Ca 0.19 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i4k h ARG 242 Cb 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3i4k h ARG 242 CO 0.01 0.63 -0.75 0.00 -1.07 0.00 0.00 179.97 178.80 3i4k h ARG 243 N 0.65 0.00 0.00 0.04 3.08 -0.84 -3.39 114.38 113.93 3i4k h ARG 243 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3i4k h ARG 243 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i4k h ARG 243 CO 0.00 0.00 -0.06 0.25 -1.07 0.00 0.00 179.97 179.09 3i4k n THR 244 N -2.72 0.00 -1.57 2.04 -2.24 -0.42 -5.01 114.28 104.36 3i4k n THR 244 Ca 0.01 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 3i4k n THR 244 Cb 0.54 0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 3i4k n THR 244 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i4k n ASN 245 N -1.00 -5.54 -4.62 3.42 3.02 0.19 -4.98 115.26 105.74 3i4k n ASN 245 Ca 0.00 0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 54.69 3i4k n ASN 245 Cb 0.00 -4.76 -0.11 0.00 -0.61 0.00 0.00 39.78 34.30 3i4k n ASN 245 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i4k s VAL 246 N -2.66 3.97 0.57 2.41 0.11 -1.26 -5.07 120.40 118.48 3i4k s VAL 246 Ca 0.00 -0.37 -0.20 0.00 -2.93 0.00 0.00 61.98 58.47 3i4k s VAL 246 Cb 0.00 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 3i4k s VAL 246 CO 0.00 0.60 1.24 -1.20 -3.33 0.00 0.00 175.10 172.41 3i4k n SER 247 N 2.25 2.07 0.00 3.54 7.64 -1.26 -4.47 113.62 123.39 3i4k n SER 247 Ca -0.18 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3i4k n SER 247 Cb 0.53 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3i4k n SER 247 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i4k n VAL 248 N -1.35 0.00 -3.77 0.44 0.31 -1.26 -1.08 118.33 111.62 3i4k n VAL 248 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 3i4k n VAL 248 Cb 0.46 -0.11 -0.13 0.00 -0.91 0.00 0.00 33.84 33.15 3i4k n VAL 248 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4k s ALA 250 N -2.02 -0.45 0.00 3.52 0.00 0.25 -1.80 121.76 121.25 3i4k s ALA 250 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3i4k s ALA 250 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3i4k s ALA 250 CO 0.00 -0.14 0.00 -3.47 0.00 0.00 0.00 175.76 172.15 3i4k n ASP 251 N 3.61 0.00 0.33 0.00 2.03 -1.26 -0.47 116.55 120.79 3i4k n ASP 251 Ca -0.19 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.33 3i4k n ASP 251 Cb 0.55 0.00 1.15 0.00 -0.72 0.00 0.00 41.12 42.10 3i4k n ASP 251 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3i4k h GLU 252 N 0.00 0.00 0.00 -0.67 9.09 -1.95 0.72 114.58 121.77 3i4k h GLU 252 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 3i4k h GLU 252 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3i4k h GLU 252 CO 0.00 0.00 -0.30 0.77 0.05 0.00 0.00 179.01 179.53 3i4k h SER 253 N 0.00 0.00 -3.72 3.06 0.02 -1.88 -3.42 113.55 107.61 3i4k h SER 253 Ca -0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3i4k h SER 253 Cb 0.02 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.17 3i4k h SER 253 CO 0.00 0.30 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.53 3i4k s VAL 254 N -3.97 1.98 -0.07 2.27 1.01 0.25 -4.79 120.40 117.07 3i4k s VAL 254 Ca -0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 3i4k s VAL 254 Cb 0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3i4k s VAL 254 CO 0.67 -0.25 -0.07 0.79 0.00 0.00 0.00 175.10 176.24 3i4k n TRP 255 N 4.46 0.00 -4.04 5.22 7.02 -1.26 -4.83 117.44 124.01 3i4k n TRP 255 Ca -0.08 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.19 3i4k n TRP 255 Cb 0.42 -0.25 -0.05 0.00 -2.42 0.00 0.00 31.31 29.02 3i4k n TRP 255 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3i4k s THR 256 N -2.13 3.91 0.33 -0.99 -4.23 -1.26 -4.07 115.64 107.20 3i4k s THR 256 Ca -0.09 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3i4k s THR 256 Cb 0.03 -3.23 0.28 0.00 1.34 0.00 0.00 72.50 70.91 3i4k s THR 256 CO 0.14 -0.28 1.96 -0.65 -0.54 0.00 0.00 174.62 175.24 3i4k h PRO 257 N 1.46 0.90 -0.36 3.99 0.11 -1.93 -1.02 132.00 135.16 3i4k h PRO 257 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3i4k h PRO 257 Cb 1.25 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3i4k h PRO 257 CO 0.60 0.60 0.04 0.00 -0.21 0.00 0.00 178.00 179.03 3i4k h ALA 258 N 1.55 1.41 0.00 -0.75 0.00 -1.98 0.01 119.26 119.50 3i4k h ALA 258 Ca 0.32 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3i4k h ALA 258 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i4k h ALA 258 CO -0.10 0.42 -0.85 0.93 0.00 0.00 0.00 179.25 179.65 3i4k h GLU 259 N 0.53 0.04 -0.42 0.00 5.08 -1.63 -1.01 114.58 117.17 3i4k h GLU 259 Ca 0.12 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3i4k h GLU 259 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3i4k h GLU 259 CO 0.00 0.86 -0.24 0.00 -1.00 0.00 0.00 179.01 178.63 3i4k h ALA 260 N 1.12 0.77 -0.68 3.43 0.00 -0.51 -1.39 119.26 121.99 3i4k h ALA 260 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3i4k h ALA 260 Cb 1.49 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3i4k h ALA 260 CO 0.11 0.66 0.12 1.25 0.00 0.00 0.00 179.25 181.39 3i4k h LEU 261 N 0.76 1.08 -1.08 0.00 6.46 -0.87 -1.66 115.31 119.99 3i4k h LEU 261 Ca 0.10 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.55 3i4k h LEU 261 Cb 0.79 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 3i4k h LEU 261 CO 0.07 1.06 0.08 0.00 -0.62 0.00 0.00 178.44 179.02 3i4k h ALA 262 N 1.06 1.26 -0.43 1.25 0.00 -0.92 -0.93 119.26 120.55 3i4k h ALA 262 Ca 0.21 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3i4k h ALA 262 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i4k h ALA 262 CO 0.01 0.51 -0.17 0.28 0.00 0.00 0.00 179.25 179.89 3i4k h VAL 263 N 0.70 1.27 0.02 0.00 2.07 -0.73 -1.30 116.25 118.29 3i4k h VAL 263 Ca 0.15 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3i4k h VAL 263 Cb 0.32 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3i4k h VAL 263 CO 0.00 0.44 -0.01 0.58 0.02 0.00 0.00 177.57 178.61 3i4k h VAL 264 N 0.71 0.98 -0.77 2.57 2.07 -0.91 -0.12 116.25 120.77 3i4k h VAL 264 Ca 0.10 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3i4k h VAL 264 Cb 0.72 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3i4k h VAL 264 CO 0.05 0.00 0.42 0.11 0.02 0.00 0.00 177.57 178.18 3i4k h LYS 265 N -0.04 1.07 -0.00 1.57 1.57 -1.11 -2.19 116.57 117.45 3i4k h LYS 265 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i4k h LYS 265 Cb 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3i4k h LYS 265 CO 0.00 0.79 -0.13 0.00 -0.57 0.00 0.00 179.45 179.55 3i4k n ALA 266 N -2.42 2.74 -3.87 3.86 0.00 -0.50 -4.91 120.51 115.41 3i4k n ALA 266 Ca 0.08 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3i4k n ALA 266 Cb 0.10 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.22 3i4k n ALA 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4k n GLN 267 N -1.19 -5.31 0.05 0.00 6.02 -0.13 -4.88 117.38 111.95 3i4k n GLN 267 Ca 0.12 0.60 0.13 0.00 -0.01 0.00 0.00 57.00 57.83 3i4k n GLN 267 Cb 0.29 -5.38 0.46 0.00 1.02 0.00 0.00 30.24 26.63 3i4k n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4k n ALA 268 N -4.58 2.46 -3.62 -1.58 0.00 -0.79 -4.66 120.51 107.74 3i4k n ALA 268 Ca -0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 3i4k n ALA 268 Cb 0.57 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 3i4k n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4k s ALA 269 N -3.06 -1.92 -0.36 0.00 0.00 -1.26 -3.93 121.76 111.24 3i4k s ALA 269 Ca 0.12 1.83 0.25 0.00 0.00 0.00 0.00 51.96 54.15 3i4k s ALA 269 Cb 0.16 -1.20 0.52 0.00 0.00 0.00 0.00 23.12 22.60 3i4k s ALA 269 CO 0.59 -0.27 1.68 -0.44 0.00 0.00 0.00 175.76 177.31 3i4k h ASP 270 N 4.01 0.00 -4.57 0.00 3.45 -1.71 -3.46 116.42 114.15 3i4k h ASP 270 Ca -0.27 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.01 3i4k h ASP 270 Cb 1.17 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.71 3i4k h ASP 270 CO 0.14 0.00 -0.67 -0.69 -1.57 0.00 0.00 179.24 176.45 3i4k s VAL 271 N -3.28 0.07 -0.10 -1.35 1.01 -1.00 -1.80 120.40 113.94 3i4k s VAL 271 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3i4k s VAL 271 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 3i4k s VAL 271 CO 0.65 -0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3i4k s ILE 272 N -0.97 2.79 -0.77 2.22 1.01 0.04 -0.58 121.20 124.94 3i4k s ILE 272 Ca -0.11 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 3i4k s ILE 272 Cb -0.06 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.34 3i4k s ILE 272 CO -0.00 0.55 1.17 0.00 0.00 0.00 0.00 174.94 176.66 3i4k s ALA 273 N 0.04 2.95 -0.25 9.38 0.00 0.39 -0.76 121.76 133.50 3i4k s ALA 273 Ca -0.06 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 49.89 3i4k s ALA 273 Cb -0.15 -4.13 -0.02 0.00 0.00 0.00 0.00 23.12 18.82 3i4k s ALA 273 CO 0.05 -3.11 0.57 -1.17 0.00 0.00 0.00 175.76 172.09 3i4k s LEU 274 N 4.68 4.06 -0.15 0.00 2.96 0.00 -4.80 118.68 125.43 3i4k s LEU 274 Ca 0.32 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 3i4k s LEU 274 Cb -0.10 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.86 3i4k s LEU 274 CO 0.07 -0.32 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.11 3i4k s LYS 275 N 2.36 2.17 0.53 1.98 1.02 -1.26 -1.18 119.74 125.36 3i4k s LYS 275 Ca 0.24 -0.58 0.24 0.00 0.02 0.00 0.00 55.97 55.89 3i4k s LYS 275 Cb -0.16 -2.11 1.39 0.00 -0.52 0.00 0.00 37.83 36.43 3i4k s LYS 275 CO 0.09 -0.27 2.02 1.79 -0.92 0.00 0.00 175.35 178.05 3i4k h THR 276 N 6.12 0.76 0.17 2.17 1.35 -1.88 -1.73 112.91 119.88 3i4k h THR 276 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 3i4k h THR 276 Cb 1.13 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3i4k h THR 276 CO 0.51 0.00 -0.08 0.71 -0.25 0.00 0.00 175.52 176.41 3i4k h THR 277 N 0.00 0.82 -0.50 6.82 1.35 -1.93 -1.28 112.91 118.19 3i4k h THR 277 Ca 0.22 -1.10 0.05 0.00 -0.55 0.00 0.00 66.41 65.02 3i4k h THR 277 Cb 0.88 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 3i4k h THR 277 CO -0.00 0.21 0.33 0.50 -0.25 0.00 0.00 175.52 176.31 3i4k h LYS 278 N -0.86 0.46 -0.00 4.72 3.64 -1.74 -2.32 116.57 120.47 3i4k h LYS 278 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3i4k h LYS 278 Cb 0.52 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3i4k h LYS 278 CO 0.04 0.30 -0.07 0.72 -2.27 0.00 0.00 179.45 178.17 3i4k n HIS 279 N -4.48 0.00 -0.50 1.91 8.25 -0.71 -4.44 115.22 115.26 3i4k n HIS 279 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3i4k n HIS 279 Cb 0.21 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3i4k n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4k n GLY 280 N 1.44 0.88 0.00 -1.41 0.00 -0.87 -4.70 105.19 100.53 3i4k n GLY 280 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3i4k n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 281 N -2.09 2.88 0.26 -0.02 0.00 -0.49 -3.63 105.19 102.10 3i4k n GLY 281 Ca 0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 3i4k n GLY 281 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i4k h LEU 282 N 0.00 0.79 0.09 0.99 3.38 -1.87 -1.48 115.31 117.21 3i4k h LEU 282 Ca 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i4k h LEU 282 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3i4k h LEU 282 CO 0.00 1.00 -0.04 -0.07 0.09 0.00 0.00 178.44 179.42 3i4k h LEU 283 N 0.68 -0.11 -0.96 1.67 3.38 -1.95 -2.49 115.31 115.53 3i4k h LEU 283 Ca 0.09 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3i4k h LEU 283 Cb 0.75 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3i4k h LEU 283 CO 0.06 0.13 0.63 -0.33 0.09 0.00 0.00 178.44 179.02 3i4k h GLU 284 N -0.34 1.19 -0.88 1.13 4.39 -1.82 -1.87 114.58 116.37 3i4k h GLU 284 Ca -0.01 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.73 3i4k h GLU 284 Cb 0.29 -0.27 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 3i4k h GLU 284 CO 0.02 0.79 0.57 0.77 -1.16 0.00 0.00 179.01 179.99 3i4k h SER 285 N 1.22 0.74 -0.44 1.42 0.02 -1.07 -0.20 113.55 115.23 3i4k h SER 285 Ca 0.38 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3i4k h SER 285 Cb -0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3i4k h SER 285 CO -0.12 0.41 0.12 0.11 -1.14 0.00 0.00 176.83 176.21 3i4k h LYS 286 N 0.80 0.76 -0.49 3.45 1.79 -0.88 -1.71 116.57 120.29 3i4k h LYS 286 Ca 0.42 -0.15 -0.13 0.00 -2.18 0.00 0.00 60.65 58.61 3i4k h LYS 286 Cb 0.52 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3i4k h LYS 286 CO -0.18 0.69 -0.20 0.87 -1.08 0.00 0.00 179.45 179.54 3i4k h LYS 287 N 0.74 1.00 -0.09 3.15 1.57 -0.97 -0.51 116.57 121.47 3i4k h LYS 287 Ca 0.17 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3i4k h LYS 287 Cb 0.27 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3i4k h LYS 287 CO -0.00 1.10 0.06 0.82 -0.57 0.00 0.00 179.45 180.86 3i4k h ILE 288 N 0.87 1.02 -0.90 1.86 1.08 -1.02 -1.81 117.51 118.61 3i4k h ILE 288 Ca 0.11 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3i4k h ILE 288 Cb 0.78 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 3i4k h ILE 288 CO 0.07 0.02 0.55 0.00 -0.69 0.00 0.00 178.15 178.10 3i4k h ALA 289 N 1.03 1.14 -0.61 1.87 0.00 -1.16 -1.71 119.26 119.83 3i4k h ALA 289 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i4k h ALA 289 Cb -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3i4k h ALA 289 CO -0.01 0.59 0.30 0.00 0.00 0.00 0.00 179.25 180.13 3i4k h ALA 290 N 1.30 0.79 -0.10 0.00 0.00 -0.72 -1.27 119.26 119.26 3i4k h ALA 290 Ca 0.32 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i4k h ALA 290 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3i4k h ALA 290 CO -0.06 0.34 -0.12 0.82 0.00 0.00 0.00 179.25 180.23 3i4k h ILE 291 N 0.83 1.37 0.05 0.00 2.04 -1.11 -2.30 117.51 118.39 3i4k h ILE 291 Ca 0.21 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3i4k h ILE 291 Cb 0.11 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3i4k h ILE 291 CO -0.03 0.37 -0.04 0.00 0.00 0.00 0.00 178.15 178.46 3i4k h ALA 292 N 0.56 -0.08 -0.72 1.87 0.00 -1.31 -2.40 119.26 117.19 3i4k h ALA 292 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3i4k h ALA 292 Cb 0.66 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3i4k h ALA 292 CO 0.03 -0.55 0.32 1.49 0.00 0.00 0.00 179.25 180.54 3i4k h GLU 293 N -0.09 0.51 0.00 0.00 4.81 -1.27 0.98 114.58 119.52 3i4k h GLU 293 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3i4k h GLU 293 Cb 0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3i4k h GLU 293 CO -0.01 0.34 -0.18 0.00 -0.73 0.00 0.00 179.01 178.43 3i4k h ALA 294 N 1.47 1.18 -0.46 2.92 0.00 -1.19 -2.21 119.26 120.96 3i4k h ALA 294 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i4k h ALA 294 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i4k h ALA 294 CO -0.32 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3i4k n GLY 295 N -0.34 1.44 2.45 0.00 0.00 -0.18 -4.92 105.19 103.64 3i4k n GLY 295 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3i4k n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 296 N 1.38 0.45 3.78 -0.02 0.00 -0.70 -5.00 105.19 105.07 3i4k n GLY 296 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3i4k n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4k s LEU 297 N 0.00 4.49 0.36 0.99 1.43 0.16 -4.98 118.68 121.13 3i4k s LEU 297 Ca 0.00 1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 54.12 3i4k s LEU 297 Cb 0.00 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 3i4k s LEU 297 CO 0.00 0.18 0.99 0.00 0.23 0.00 0.00 176.35 177.76 3i4k s ALA 298 N -0.68 3.16 -0.11 4.21 0.00 -0.75 -3.78 121.76 123.81 3i4k s ALA 298 Ca 0.31 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3i4k s ALA 298 Cb -0.19 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3i4k s ALA 298 CO 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 175.76 175.89 3i4k s HIS 300 N -0.16 3.11 -1.22 0.00 5.04 0.06 -1.74 115.29 120.39 3i4k s HIS 300 Ca 0.02 -0.09 -0.20 0.00 -1.54 0.00 0.00 55.06 53.25 3i4k s HIS 300 Cb -0.13 -1.95 0.04 0.00 0.04 0.00 0.00 32.58 30.58 3i4k s HIS 300 CO 0.03 0.13 1.73 0.20 -2.34 0.00 0.00 174.74 174.49 3i4k s GLY 301 N 0.07 1.27 0.70 1.59 0.00 -0.04 -0.82 107.32 110.09 3i4k s GLY 301 Ca 0.02 -2.62 -0.09 0.00 0.00 0.00 0.00 44.72 42.03 3i4k s GLY 301 CO 0.02 2.89 1.05 0.00 0.00 0.00 0.00 173.10 177.06 3i4k s ALA 302 N 5.74 3.01 0.09 3.20 0.00 -0.32 -1.11 121.76 132.36 3i4k s ALA 302 Ca 0.56 -0.67 0.08 0.00 0.00 0.00 0.00 51.96 51.92 3i4k s ALA 302 Cb 0.02 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3i4k s ALA 302 CO 0.05 -1.24 -0.21 -0.08 0.00 0.00 0.00 175.76 174.29 3i4k s THR 303 N -3.29 1.68 -0.24 0.00 -1.32 -1.26 -4.34 115.64 106.87 3i4k s THR 303 Ca 0.59 -1.47 0.15 0.00 -1.21 0.00 0.00 61.69 59.75 3i4k s THR 303 Cb -0.11 -1.52 0.72 0.00 -1.51 0.00 0.00 72.50 70.08 3i4k s THR 303 CO 0.47 -0.02 1.63 -1.20 -2.21 0.00 0.00 174.62 173.30 3i4k n SER 304 N 1.24 5.08 -2.50 8.08 7.64 -1.26 -4.89 113.62 127.01 3i4k n SER 304 Ca -0.19 -2.96 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 3i4k n SER 304 Cb 0.54 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 63.16 3i4k n SER 304 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i4k n LEU 305 N 0.23 -3.21 -4.78 -3.43 4.32 -1.26 -3.08 117.00 105.79 3i4k n LEU 305 Ca 0.26 -0.38 -0.32 0.00 -0.02 0.00 0.00 56.01 55.55 3i4k n LEU 305 Cb 1.09 -2.13 0.07 0.00 -1.62 0.00 0.00 43.42 40.83 3i4k n LEU 305 CO 0.26 0.26 0.71 -1.61 -1.22 0.00 0.00 177.39 175.80 3i4k s GLU 306 N -4.99 2.57 0.00 3.23 8.01 -1.26 -4.91 118.70 121.35 3i4k s GLU 306 Ca 0.05 1.19 0.00 0.00 0.01 0.00 0.00 54.97 56.22 3i4k s GLU 306 Cb -0.02 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.86 3i4k s GLU 306 CO 0.45 -1.40 0.00 0.41 0.01 0.00 0.00 175.26 174.73 3i4k n GLY 307 N -1.16 -0.39 0.28 -1.39 0.00 -1.26 -3.97 105.19 97.30 3i4k n GLY 307 Ca 0.09 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 3i4k n GLY 307 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4k h PRO 308 N 0.00 0.96 -0.36 1.61 0.13 -1.95 -1.76 132.00 130.63 3i4k h PRO 308 Ca 0.00 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 3i4k h PRO 308 Cb 0.00 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 30.94 3i4k h PRO 308 CO 0.00 0.75 0.16 0.82 -0.23 0.00 0.00 178.00 179.50 3i4k h ILE 309 N 0.93 1.17 -0.26 -3.56 1.08 -1.96 -0.85 117.51 114.06 3i4k h ILE 309 Ca 0.23 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 3i4k h ILE 309 Cb 0.09 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3i4k h ILE 309 CO -0.03 0.19 -0.02 1.23 -0.69 0.00 0.00 178.15 178.83 3i4k h GLY 310 N 0.44 0.52 1.35 5.37 0.00 -1.88 -2.19 103.07 106.68 3i4k h GLY 310 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3i4k h GLY 310 CO -0.01 0.36 0.44 -0.84 0.00 0.00 0.00 176.54 176.49 3i4k h THR 311 N 0.25 1.17 -0.50 4.70 2.02 -1.24 -0.89 112.91 118.43 3i4k h THR 311 Ca 0.07 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 3i4k h THR 311 Cb 0.46 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3i4k h THR 311 CO 0.02 0.16 -0.18 0.00 0.37 0.00 0.00 175.52 175.89 3i4k h ALA 312 N 1.59 0.69 0.04 6.16 0.00 -1.02 -0.66 119.26 126.06 3i4k h ALA 312 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i4k h ALA 312 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i4k h ALA 312 CO -0.05 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.77 3i4k h ALA 313 N 0.88 -0.12 0.00 0.00 0.00 -0.61 0.44 119.26 119.85 3i4k h ALA 313 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i4k h ALA 313 Cb 0.75 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i4k h ALA 313 CO 0.06 -0.59 -0.15 0.77 0.00 0.00 0.00 179.25 179.34 3i4k h SER 314 N -0.17 0.00 0.18 0.00 0.02 -1.13 -2.00 113.55 110.45 3i4k h SER 314 Ca 0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 3i4k h SER 314 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3i4k h SER 314 CO -0.06 0.15 -0.87 -0.07 -1.14 0.00 0.00 176.83 174.83 3i4k h LEU 315 N 0.00 0.65 -1.21 5.07 3.38 -0.32 -1.57 115.31 121.32 3i4k h LEU 315 Ca -0.00 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 3i4k h LEU 315 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3i4k h LEU 315 CO 0.02 1.26 -0.37 1.56 0.09 0.00 0.00 178.44 181.00 3i4k h GLN 316 N 0.32 0.05 -0.03 1.13 1.08 -0.39 -1.33 115.11 115.93 3i4k h GLN 316 Ca -0.07 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3i4k h GLN 316 Cb 1.49 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 3i4k h GLN 316 CO 0.16 0.41 -0.07 0.35 -0.95 0.00 0.00 178.83 178.73 3i4k h PHE 317 N 0.04 0.14 0.00 2.96 3.04 -1.21 -2.98 116.94 118.92 3i4k h PHE 317 Ca 0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.90 3i4k h PHE 317 Cb 0.68 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.16 3i4k h PHE 317 CO 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 178.31 176.95 3i4k h ALA 318 N 0.45 1.00 0.00 2.41 0.00 -1.03 -1.36 119.26 120.73 3i4k h ALA 318 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i4k h ALA 318 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i4k h ALA 318 CO 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.78 3i4k h ALA 319 N 2.00 0.73 -0.08 0.00 0.00 -1.10 -3.31 119.26 117.51 3i4k h ALA 319 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i4k h ALA 319 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i4k h ALA 319 CO 0.00 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 3i4k n SER 320 N -3.30 2.59 -3.80 0.00 3.41 -0.57 0.77 113.62 112.72 3i4k n SER 320 Ca 0.01 -2.67 -0.30 0.00 -0.26 0.00 0.00 58.87 55.66 3i4k n SER 320 Cb 0.69 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 3i4k n SER 320 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i4k s THR 321 N -2.16 1.35 0.46 6.66 2.01 -0.82 -4.80 115.64 118.33 3i4k s THR 321 Ca 0.24 -1.91 0.15 0.00 0.31 0.00 0.00 61.69 60.48 3i4k s THR 321 Cb 0.20 -1.99 0.32 0.00 0.01 0.00 0.00 72.50 71.04 3i4k s THR 321 CO 0.05 -0.71 2.01 0.50 -0.69 0.00 0.00 174.62 175.78 3i4k h LYS 322 N 7.65 0.30 0.00 4.92 3.11 -1.90 -1.00 116.57 129.65 3i4k h LYS 322 Ca -0.09 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3i4k h LYS 322 Cb 0.99 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.16 3i4k h LYS 322 CO 0.49 0.20 0.00 0.00 -2.81 0.00 0.00 179.45 177.33 3i4k n ALA 323 N -2.54 1.17 -2.61 5.00 0.00 -1.26 -3.86 120.51 116.42 3i4k n ALA 323 Ca 0.07 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 3i4k n ALA 323 Cb 0.33 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3i4k n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4k s ILE 324 N -3.29 4.00 -1.32 0.00 -1.09 -0.38 -3.07 121.20 116.05 3i4k s ILE 324 Ca 0.00 -0.74 0.11 0.00 -2.23 0.00 0.00 60.65 57.79 3i4k s ILE 324 Cb 0.05 -5.01 0.13 0.00 -1.58 0.00 0.00 42.46 36.05 3i4k s ILE 324 CO 0.17 -1.87 0.92 -1.54 -1.23 0.00 0.00 174.94 171.39 3i4k n SER 325 N 8.64 2.11 -2.38 3.58 3.41 -0.87 -4.64 113.62 123.47 3i4k n SER 325 Ca 0.29 -1.56 -0.19 0.00 -0.26 0.00 0.00 58.87 57.15 3i4k n SER 325 Cb 0.51 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3i4k n SER 325 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4k n TYR 326 N 0.61 2.49 -4.88 7.33 9.36 -0.71 -4.91 117.16 126.45 3i4k n TYR 326 Ca 0.07 -2.55 0.00 0.00 3.32 0.00 0.00 57.90 58.74 3i4k n TYR 326 Cb 0.31 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3i4k n TYR 326 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i4k n GLY 327 N -0.54 0.70 3.52 2.98 0.00 -1.26 -4.62 105.19 105.97 3i4k n GLY 327 Ca 0.32 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3i4k n GLY 327 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4k s THR 328 N 0.00 0.00 -0.21 2.61 -4.23 -0.75 -0.86 115.64 112.20 3i4k s THR 328 Ca 0.00 -1.54 0.22 0.00 -1.18 0.00 0.00 61.69 59.19 3i4k s THR 328 Cb 0.00 -2.58 0.49 0.00 1.34 0.00 0.00 72.50 71.75 3i4k s THR 328 CO 0.00 0.00 1.13 -1.84 -0.54 0.00 0.00 174.62 173.37 3i4k n GLU 329 N -0.52 1.57 -1.75 3.99 0.28 -0.26 0.94 120.64 124.89 3i4k n GLU 329 Ca -0.00 -3.27 -0.41 0.00 -0.16 0.00 0.00 57.16 53.32 3i4k n GLU 329 Cb 0.62 -1.35 -0.01 0.00 1.43 0.00 0.00 31.44 32.12 3i4k n GLU 329 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i4k n LEU 330 N -0.41 7.70 -0.67 -1.84 4.77 -1.26 -4.42 117.00 120.88 3i4k n LEU 330 Ca 0.11 -4.45 0.08 0.00 -0.03 0.00 0.00 56.01 51.72 3i4k n LEU 330 Cb 0.88 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.51 3i4k n LEU 330 CO 0.08 1.67 0.52 2.22 -1.33 0.00 0.00 177.39 180.54 3i4k n PHE 331 N 4.02 0.01 -0.24 -1.77 1.16 -1.26 -4.78 117.46 114.59 3i4k n PHE 331 Ca 0.61 -0.01 -0.04 0.00 -1.87 0.00 0.00 57.45 56.14 3i4k n PHE 331 Cb 0.30 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.15 3i4k n PHE 331 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i4k n GLY 332 N 0.94 -1.42 0.39 4.97 0.00 -1.26 0.30 105.19 109.10 3i4k n GLY 332 Ca 0.10 0.69 0.21 0.00 0.00 0.00 0.00 46.02 47.02 3i4k n GLY 332 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i4k h PRO 333 N 0.00 0.00 0.00 1.61 0.11 -1.82 -0.10 132.00 131.80 3i4k h PRO 333 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i4k h PRO 333 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3i4k h PRO 333 CO -0.57 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.26 3i4k n GLN 334 N -3.81 0.02 0.02 1.05 6.02 0.15 -2.89 117.38 117.93 3i4k n GLN 334 Ca 0.08 0.16 -0.01 0.00 -0.01 0.00 0.00 57.00 57.22 3i4k n GLN 334 Cb 0.64 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 3i4k n GLN 334 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4k n LEU 335 N -1.49 0.81 -4.74 1.08 4.32 -0.05 -4.90 117.00 112.03 3i4k n LEU 335 Ca 0.05 0.36 -0.41 0.00 -0.02 0.00 0.00 56.01 55.99 3i4k n LEU 335 Cb 0.23 0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 3i4k n LEU 335 CO 0.18 0.17 0.88 -0.76 -1.22 0.00 0.00 177.39 176.64 3i4k s LEU 336 N -5.76 4.45 0.30 2.23 1.43 -1.14 -0.23 118.68 119.96 3i4k s LEU 336 Ca -0.03 2.23 0.26 0.00 -1.03 0.00 0.00 54.13 55.56 3i4k s LEU 336 Cb 0.09 -3.61 0.89 0.00 0.03 0.00 0.00 46.19 43.59 3i4k s LEU 336 CO 0.82 -0.36 1.76 0.50 0.23 0.00 0.00 176.35 179.30 3i4k h LYS 337 N 5.16 0.00 -3.25 1.70 3.64 -1.06 -3.43 116.57 119.33 3i4k h LYS 337 Ca -0.45 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3i4k h LYS 337 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 3i4k h LYS 337 CO 0.74 0.00 0.04 0.34 -2.27 0.00 0.00 179.45 178.30 3i4k s ASP 338 N -4.75 -0.34 0.31 4.20 2.15 -1.26 -5.00 116.67 111.98 3i4k s ASP 338 Ca 0.07 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 52.80 3i4k s ASP 338 Cb 0.10 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 43.25 3i4k s ASP 338 CO 0.52 -0.94 0.07 1.07 -0.17 0.00 0.00 175.17 175.72 3i4k n THR 339 N -0.30 0.00 -2.72 1.71 5.66 -1.26 -4.92 114.28 112.45 3i4k n THR 339 Ca -0.15 -1.69 0.00 0.00 -3.05 0.00 0.00 64.05 59.17 3i4k n THR 339 Cb 0.64 0.51 0.05 0.00 -1.55 0.00 0.00 70.33 69.97 3i4k n THR 339 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i4k n TYR 340 N -0.74 0.60 -0.19 1.09 4.11 -1.26 -4.90 117.16 115.87 3i4k n TYR 340 Ca -0.08 -1.68 0.00 0.00 -0.00 0.00 0.00 57.90 56.14 3i4k n TYR 340 Cb 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 3i4k n TYR 340 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.86 178.37 3i4k n ILE 341 N -0.44 0.84 0.00 -3.48 0.13 -1.26 -0.72 119.36 114.43 3i4k n ILE 341 Ca 0.03 -0.85 0.00 0.00 -1.10 0.00 0.00 62.75 60.83 3i4k n ILE 341 Cb 0.88 0.57 0.00 0.00 -0.84 0.00 0.00 39.64 40.25 3i4k n ILE 341 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 3i4k n VAL 342 N -0.43 0.00 -1.98 9.51 0.31 -1.23 -3.86 118.33 120.65 3i4k n VAL 342 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3i4k n VAL 342 Cb 0.30 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.37 3i4k n VAL 342 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3i4k s GLN 343 N 0.00 1.33 0.16 5.55 1.11 -1.26 -5.10 119.66 121.45 3i4k s GLN 343 Ca 0.00 -0.24 0.11 0.00 0.01 0.00 0.00 55.36 55.24 3i4k s GLN 343 Cb 0.00 -1.94 -0.04 0.00 -1.01 0.00 0.00 33.01 30.02 3i4k s GLN 343 CO 0.00 -1.95 -0.24 -1.21 0.01 0.00 0.00 175.29 171.90 3i4k s GLU 344 N -5.68 1.52 0.28 2.91 2.02 -1.26 -5.04 118.70 113.45 3i4k s GLU 344 Ca 0.68 -1.42 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 3i4k s GLU 344 Cb -0.07 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.17 3i4k s GLU 344 CO 0.50 0.43 0.74 -0.06 0.02 0.00 0.00 175.26 176.89 3i4k s PHE 345 N -1.39 3.51 -0.57 1.61 0.08 -1.26 -5.03 117.98 114.92 3i4k s PHE 345 Ca 0.18 1.32 -0.15 0.00 0.12 0.00 0.00 56.93 58.39 3i4k s PHE 345 Cb -0.09 -2.59 0.14 0.00 -0.57 0.00 0.00 43.02 39.91 3i4k s PHE 345 CO 0.09 0.21 0.52 -1.21 -0.10 0.00 0.00 175.22 174.73 3i4k s GLU 346 N -2.49 3.04 -0.44 0.44 2.02 -1.26 -5.03 118.70 114.98 3i4k s GLU 346 Ca 0.49 -1.80 -0.09 0.00 0.02 0.00 0.00 54.97 53.59 3i4k s GLU 346 Cb -0.13 -4.30 0.09 0.00 0.10 0.00 0.00 34.13 29.89 3i4k s GLU 346 CO 0.19 -1.32 0.29 0.71 0.02 0.00 0.00 175.26 175.15 3i4k s TYR 347 N 1.43 3.37 0.06 1.61 2.02 -1.26 -1.97 117.35 122.60 3i4k s TYR 347 Ca 0.05 -1.64 -0.18 0.00 -0.37 0.00 0.00 57.07 54.93 3i4k s TYR 347 Cb -0.28 -3.16 0.04 0.00 -0.40 0.00 0.00 41.96 38.16 3i4k s TYR 347 CO 0.02 -0.90 0.41 -1.59 -1.57 0.00 0.00 175.55 171.92 3i4k s LYS 348 N 1.41 0.94 -1.55 -0.62 -2.85 -0.86 -4.86 119.74 111.35 3i4k s LYS 348 Ca 0.04 -0.42 -0.05 0.00 -1.00 0.00 0.00 55.97 54.55 3i4k s LYS 348 Cb -0.24 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 3i4k s LYS 348 CO 0.01 -0.33 0.53 -0.25 0.10 0.00 0.00 175.35 175.41 3i4k n ASP 349 N 0.39 -5.82 0.00 0.03 8.00 -0.97 -1.62 116.55 116.55 3i4k n ASP 349 Ca -0.18 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3i4k n ASP 349 Cb 0.60 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 3i4k n ASP 349 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4k n GLY 350 N -1.43 0.52 1.51 0.44 0.00 0.13 -4.84 105.19 101.53 3i4k n GLY 350 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3i4k n GLY 350 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i4k n GLN 351 N -1.96 1.14 -3.76 1.61 6.02 -0.64 -0.32 117.38 119.47 3i4k n GLN 351 Ca 0.00 -1.55 -0.13 0.00 -0.01 0.00 0.00 57.00 55.32 3i4k n GLN 351 Cb 0.08 0.61 -0.11 0.00 1.02 0.00 0.00 30.24 31.84 3i4k n GLN 351 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i4k s VAL 352 N -1.99 -0.01 0.23 5.09 0.11 -0.43 -2.04 120.40 121.36 3i4k s VAL 352 Ca 0.04 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 3i4k s VAL 352 Cb 0.00 -0.43 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 3i4k s VAL 352 CO 0.03 0.01 0.77 0.00 -3.33 0.00 0.00 175.10 172.58 3i4k s ALA 353 N 0.39 3.39 -0.15 1.54 0.00 -0.83 -1.73 121.76 124.37 3i4k s ALA 353 Ca -0.02 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 3i4k s ALA 353 Cb -0.04 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 3i4k s ALA 353 CO -0.02 0.30 1.18 0.42 0.00 0.00 0.00 175.76 177.64 3i4k s ILE 354 N -1.47 4.40 -0.28 0.00 1.09 -0.40 -4.67 121.20 119.87 3i4k s ILE 354 Ca 0.43 1.70 -0.34 0.00 -1.10 0.00 0.00 60.65 61.33 3i4k s ILE 354 Cb -0.18 -4.10 -0.11 0.00 -1.06 0.00 0.00 42.46 37.02 3i4k s ILE 354 CO 0.22 -0.11 2.12 -2.65 -0.10 0.00 0.00 174.94 174.43 3i4k n PRO 355 N 6.11 1.39 -2.73 2.79 -0.02 -1.26 -4.95 135.00 136.33 3i4k n PRO 355 Ca 0.12 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 3i4k n PRO 355 Cb 0.46 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 3i4k n PRO 355 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i4k s GLN 356 N 5.77 4.18 0.00 -0.52 -1.52 -1.26 -4.41 119.66 121.89 3i4k s GLN 356 Ca 1.05 1.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.69 3i4k s GLN 356 Cb -0.76 -2.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 3i4k s GLN 356 CO 0.48 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.84 3i4k n GLY 357 N -0.33 2.31 3.72 3.09 0.00 -1.26 -4.71 105.19 108.01 3i4k n GLY 357 Ca 0.07 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3i4k n GLY 357 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i4k s PRO 358 N -1.71 1.15 5.50 1.61 0.04 -1.26 -3.67 135.00 136.66 3i4k s PRO 358 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 3i4k s PRO 358 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3i4k s PRO 358 CO 0.00 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.16 3i4k n GLY 359 N -1.22 2.98 0.00 0.56 0.00 -0.77 -0.99 105.19 105.75 3i4k n GLY 359 Ca 0.07 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3i4k n GLY 359 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4k n LEU 360 N 0.00 0.00 0.00 0.99 4.32 -1.26 0.03 117.00 121.07 3i4k n LEU 360 Ca 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 3i4k n LEU 360 Cb 0.00 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 3i4k n LEU 360 CO 0.00 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 3i4k n GLY 361 N 0.40 0.49 3.33 -0.72 0.00 -0.16 -4.73 105.19 103.80 3i4k n GLY 361 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3i4k n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 362 N -2.00 -0.00 -0.12 1.61 0.11 -1.26 -4.39 120.40 114.35 3i4k s VAL 362 Ca 0.00 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 3i4k s VAL 362 Cb 0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3i4k s VAL 362 CO 0.00 0.01 0.09 -1.81 -3.33 0.00 0.00 175.10 170.05 3i4k s ASP 363 N 0.41 5.94 0.44 3.54 1.11 -1.25 -5.06 116.67 121.79 3i4k s ASP 363 Ca -0.01 0.32 -0.21 0.00 0.18 0.00 0.00 52.55 52.82 3i4k s ASP 363 Cb -0.04 -1.86 -0.10 0.00 1.07 0.00 0.00 42.92 41.99 3i4k s ASP 363 CO -0.01 0.37 0.99 0.68 1.18 0.00 0.00 175.17 178.38 3i4k s VAL 364 N -0.81 4.10 0.51 -1.27 -7.23 -1.26 -3.47 120.40 110.97 3i4k s VAL 364 Ca 0.13 1.35 0.07 0.00 -1.81 0.00 0.00 61.98 61.72 3i4k s VAL 364 Cb -0.12 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.28 3i4k s VAL 364 CO 0.03 -0.23 0.46 -0.62 -0.31 0.00 0.00 175.10 174.42 3i4k s ASP 365 N -2.02 4.81 0.00 4.85 -1.08 0.10 -4.81 116.67 118.51 3i4k s ASP 365 Ca 0.63 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 3i4k s ASP 365 Cb -0.13 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 3i4k s ASP 365 CO 0.17 -1.02 0.00 0.47 0.52 0.00 0.00 175.17 175.32 3i4k n ASP 367 N -1.78 0.00 0.13 -0.34 8.00 -1.26 -1.58 116.55 119.72 3i4k n ASP 367 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 3i4k n ASP 367 Cb 0.63 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.86 3i4k n ASP 367 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i4k h LYS 368 N 0.00 0.00 0.39 -1.24 1.57 -1.92 -2.02 116.57 113.35 3i4k h LYS 368 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i4k h LYS 368 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i4k h LYS 368 CO 0.00 0.66 -0.19 0.28 -0.57 0.00 0.00 179.45 179.63 3i4k h VAL 369 N 0.00 0.61 -0.79 0.50 2.07 -1.60 -1.20 116.25 115.84 3i4k h VAL 369 Ca -0.01 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.35 3i4k h VAL 369 Cb 1.22 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3i4k h VAL 369 CO 0.09 0.05 0.43 0.78 0.02 0.00 0.00 177.57 178.94 3i4k h ASN 370 N -0.68 0.59 -1.00 0.57 -0.26 -1.83 0.13 115.58 113.10 3i4k h ASN 370 Ca -0.05 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 3i4k h ASN 370 Cb 0.49 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.65 3i4k h ASN 370 CO 0.09 0.33 0.66 0.15 -1.06 0.00 0.00 177.43 177.60 3i4k h PHE 371 N 0.71 1.27 -0.02 1.19 3.57 -1.12 -2.72 116.94 119.81 3i4k h PHE 371 Ca 0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3i4k h PHE 371 Cb 0.39 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3i4k h PHE 371 CO -0.08 0.80 -0.11 0.66 -2.23 0.00 0.00 178.31 177.36 3i4k n TYR 372 N -4.38 0.00 -2.04 0.41 4.01 -0.47 -4.91 117.16 109.77 3i4k n TYR 372 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.44 3i4k n TYR 372 Cb 0.01 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 3i4k n TYR 372 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i4k s THR 373 N -2.16 2.84 -2.00 -0.72 2.01 0.36 -1.09 115.64 114.89 3i4k s THR 373 Ca 0.31 0.65 0.18 0.00 0.31 0.00 0.00 61.69 63.13 3i4k s THR 373 Cb 0.20 -3.42 0.51 0.00 0.01 0.00 0.00 72.50 69.80 3i4k s THR 373 CO 0.39 0.08 1.46 -1.14 -0.69 0.00 0.00 174.62 174.72