#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 2.92 -4.72 -2.67 7.94 -1.26 -2.31 117.00 116.90 3i4k n LEU 6 Ca 0.00 -1.47 -0.35 0.00 -1.11 0.00 0.00 56.01 53.08 3i4k n LEU 6 Cb 0.00 -0.38 0.08 0.00 0.53 0.00 0.00 43.42 43.65 3i4k n LEU 6 CO 0.00 0.66 0.83 -0.89 -1.11 0.00 0.00 177.39 176.88 3i4k s THR 7 N -1.44 2.23 -0.39 1.96 2.01 -1.26 -2.19 115.64 116.56 3i4k s THR 7 Ca 0.34 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.30 3i4k s THR 7 Cb 0.19 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.89 3i4k s THR 7 CO 0.21 -0.05 0.45 -0.63 -0.69 0.00 0.00 174.62 173.91 3i4k s ILE 8 N -1.79 5.08 -0.06 1.82 1.09 0.23 -0.54 121.20 127.02 3i4k s ILE 8 Ca 0.77 -0.11 -0.10 0.00 -1.10 0.00 0.00 60.65 60.11 3i4k s ILE 8 Cb -0.32 -3.99 -0.30 0.00 -1.06 0.00 0.00 42.46 36.80 3i4k s ILE 8 CO 0.43 -0.32 0.62 1.56 -0.10 0.00 0.00 174.94 177.13 3i4k h GLN 9 N 8.63 0.37 -3.01 2.79 1.08 -1.20 -0.95 115.11 122.83 3i4k h GLN 9 Ca -0.27 -0.64 -0.07 0.00 -1.45 0.00 0.00 58.65 56.21 3i4k h GLN 9 Cb 1.12 0.24 -0.16 0.00 -0.05 0.00 0.00 27.48 28.62 3i4k h GLN 9 CO 0.77 1.30 -0.09 0.21 -0.95 0.00 0.00 178.83 180.08 3i4k s LYS 10 N -2.58 0.94 -0.06 1.46 2.20 -1.09 -4.80 119.74 115.80 3i4k s LYS 10 Ca -0.17 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3i4k s LYS 10 Cb 0.06 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.82 3i4k s LYS 10 CO 0.84 -0.32 0.00 0.14 -0.36 0.00 0.00 175.35 175.65 3i4k s VAL 11 N -2.49 0.31 0.20 4.02 -7.23 -1.26 0.25 120.40 114.19 3i4k s VAL 11 Ca -0.05 0.12 0.10 0.00 -1.81 0.00 0.00 61.98 60.34 3i4k s VAL 11 Cb -0.01 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 3i4k s VAL 11 CO -0.02 0.23 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.22 3i4k s GLU 12 N 1.70 1.79 -0.06 4.82 2.02 -0.32 -4.95 118.70 123.70 3i4k s GLU 12 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3i4k s GLU 12 Cb -0.13 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.15 3i4k s GLU 12 CO -0.04 0.40 -0.04 -1.54 0.02 0.00 0.00 175.26 174.07 3i4k s SER 13 N -2.89 1.32 -0.08 -0.19 1.04 -1.26 -0.14 113.70 111.50 3i4k s SER 13 Ca 0.24 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.58 3i4k s SER 13 Cb -0.08 -0.50 -0.00 0.00 0.10 0.00 0.00 66.02 65.54 3i4k s SER 13 CO 0.13 -0.10 -0.24 -0.13 0.98 0.00 0.00 173.24 173.88 3i4k s ARG 14 N 1.34 2.78 -0.20 4.02 0.52 0.72 -4.95 118.95 123.18 3i4k s ARG 14 Ca -0.04 -0.86 -0.22 0.00 -0.52 0.00 0.00 55.73 54.08 3i4k s ARG 14 Cb -0.13 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 3i4k s ARG 14 CO -0.02 0.25 0.70 0.42 0.02 0.00 0.00 175.30 176.66 3i4k s ILE 15 N 0.15 4.97 -0.11 1.52 1.01 -1.26 0.55 121.20 128.03 3i4k s ILE 15 Ca -0.13 1.32 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3i4k s ILE 15 Cb -0.16 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3i4k s ILE 15 CO 0.07 0.07 -0.17 -0.76 0.00 0.00 0.00 174.94 174.15 3i4k s LEU 16 N 2.08 2.50 -0.37 2.97 1.43 0.26 -1.06 118.68 126.49 3i4k s LEU 16 Ca 0.31 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3i4k s LEU 16 Cb -0.16 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.61 3i4k s LEU 16 CO 0.11 0.17 0.13 -1.81 0.23 0.00 0.00 176.35 175.18 3i4k s ASP 17 N 0.28 5.15 -0.15 2.29 1.01 -0.74 -0.06 116.67 124.45 3i4k s ASP 17 Ca -0.12 -1.71 -0.03 0.00 0.71 0.00 0.00 52.55 51.39 3i4k s ASP 17 Cb -0.16 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3i4k s ASP 17 CO 0.06 -0.44 -0.05 0.54 0.21 0.00 0.00 175.17 175.50 3i4k s VAL 18 N 1.20 3.73 0.45 -1.27 0.11 -0.58 -4.86 120.40 119.17 3i4k s VAL 18 Ca 0.03 -0.41 -0.23 0.00 -2.93 0.00 0.00 61.98 58.44 3i4k s VAL 18 Cb -0.21 -2.63 -0.08 0.00 -1.53 0.00 0.00 36.38 31.93 3i4k s VAL 18 CO -0.03 0.49 1.13 -2.84 -3.33 0.00 0.00 175.10 170.53 3i4k s PRO 19 N 0.42 3.86 0.40 1.54 0.02 -1.26 -0.10 135.00 139.87 3i4k s PRO 19 Ca -0.05 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 62.64 3i4k s PRO 19 Cb -0.14 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 3i4k s PRO 19 CO 0.03 -0.45 0.64 -0.51 -0.33 0.00 0.00 177.00 176.39 3i4k s LEU 20 N -2.97 3.85 0.11 -5.54 1.02 0.50 -1.57 118.68 114.09 3i4k s LEU 20 Ca 0.62 0.61 -0.15 0.00 0.02 0.00 0.00 54.13 55.23 3i4k s LEU 20 Cb -0.26 -3.50 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 3i4k s LEU 20 CO 0.32 -0.43 1.51 0.40 0.02 0.00 0.00 176.35 178.17 3i4k h ILE 21 N 0.54 1.28 -3.04 -0.59 2.04 -1.66 -3.42 117.51 112.66 3i4k h ILE 21 Ca -0.49 -1.16 -0.41 0.00 1.00 0.00 0.00 64.86 63.80 3i4k h ILE 21 Cb 1.22 1.30 -0.14 0.00 -0.74 0.00 0.00 36.82 38.46 3i4k h ILE 21 CO 0.61 0.38 -0.70 -0.13 0.00 0.00 0.00 178.15 178.31 3i4k s ARG 22 N -4.77 1.31 0.11 2.37 0.52 -1.26 -5.02 118.95 112.21 3i4k s ARG 22 Ca -0.13 -1.61 -0.31 0.00 -0.52 0.00 0.00 55.73 53.16 3i4k s ARG 22 Cb 0.09 -0.90 -0.08 0.00 0.52 0.00 0.00 34.95 34.58 3i4k s ARG 22 CO 0.80 0.07 1.42 -2.14 0.02 0.00 0.00 175.30 175.47 3i4k s PRO 23 N -3.73 4.30 -0.43 3.54 0.02 -1.26 -4.82 135.00 132.61 3i4k s PRO 23 Ca 0.24 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.27 3i4k s PRO 23 Cb 0.02 -3.27 0.09 0.00 0.02 0.00 0.00 34.50 31.36 3i4k s PRO 23 CO 0.07 -0.48 0.29 -1.58 -0.33 0.00 0.00 177.00 174.97 3i4k s HIS 24 N 1.24 3.34 -0.10 6.54 2.46 0.17 -4.90 115.29 124.04 3i4k s HIS 24 Ca 0.66 -1.52 -0.14 0.00 0.47 0.00 0.00 55.06 54.52 3i4k s HIS 24 Cb -0.37 -3.08 -0.05 0.00 -0.13 0.00 0.00 32.58 28.95 3i4k s HIS 24 CO 0.30 -0.87 0.35 0.20 -2.47 0.00 0.00 174.74 172.25 3i4k s GLY 25 N 2.28 2.32 0.16 1.59 0.00 -1.26 -0.21 107.32 112.19 3i4k s GLY 25 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3i4k s GLY 25 CO 0.02 0.34 0.14 0.69 0.00 0.00 0.00 173.10 174.29 3i4k n PHE 26 N 2.94 -1.55 -0.30 1.90 3.72 0.13 0.74 117.46 125.04 3i4k n PHE 26 Ca -0.12 -0.65 0.01 0.00 -0.05 0.00 0.00 57.45 56.64 3i4k n PHE 26 Cb 0.52 -0.13 0.15 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.66 1.17 0.00 4.37 0.00 -1.89 -3.33 119.26 120.24 3i4k h ALA 27 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i4k h ALA 27 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i4k h ALA 27 CO 0.15 0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.86 3i4k n THR 28 N -4.66 0.02 -4.21 0.00 -2.24 -1.26 -3.60 114.28 98.33 3i4k n THR 28 Ca 0.13 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3i4k n THR 28 Cb 0.21 1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.02 0.00 -0.10 4.28 -4.23 -1.25 -5.16 115.64 109.16 3i4k s THR 29 Ca 0.00 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3i4k s THR 29 Cb 0.00 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.39 3i4k s THR 29 CO 0.00 0.00 0.22 -0.89 -0.54 0.00 0.00 174.62 173.41 3i4k s THR 30 N -3.68 -0.16 -0.02 3.99 2.01 -1.26 0.20 115.64 116.72 3i4k s THR 30 Ca 0.38 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 3i4k s THR 30 Cb 0.03 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3i4k s THR 30 CO 0.20 0.09 0.12 -0.44 -0.69 0.00 0.00 174.62 173.91 3i4k s SER 31 N 1.67 5.99 0.00 3.53 0.01 0.70 -4.92 113.70 120.68 3i4k s SER 31 Ca -0.05 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.46 3i4k s SER 31 Cb -0.11 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.31 3i4k s SER 31 CO -0.08 0.28 0.11 0.35 0.41 0.00 0.00 173.24 174.32 3i4k n THR 32 N 1.16 0.00 -3.55 1.44 -2.24 -1.26 0.44 114.28 110.27 3i4k n THR 32 Ca -0.13 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 3i4k n THR 32 Cb 0.53 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.67 1.03 -0.00 -0.78 -1.05 -1.26 -0.37 118.70 115.60 3i4k s GLU 33 Ca 0.00 0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.90 3i4k s GLU 33 Cb 0.00 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3i4k s GLU 33 CO 0.00 -0.33 0.18 -1.14 0.95 0.00 0.00 175.26 174.92 3i4k s GLN 34 N -1.51 3.43 -0.20 -4.83 2.00 0.85 -4.89 119.66 114.51 3i4k s GLN 34 Ca -0.10 -0.34 -0.05 0.00 -2.00 0.00 0.00 55.36 52.88 3i4k s GLN 34 Cb -0.01 -3.09 -0.02 0.00 0.80 0.00 0.00 33.01 30.69 3i4k s GLN 34 CO 0.07 0.67 -0.01 -1.01 -0.50 0.00 0.00 175.29 174.51 3i4k s HIS 35 N -1.34 3.03 -0.07 1.67 3.76 -1.26 -1.53 115.29 119.54 3i4k s HIS 35 Ca 0.28 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 3i4k s HIS 35 Cb -0.13 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.50 3i4k s HIS 35 CO 0.19 -0.25 -0.14 0.42 -0.85 0.00 0.00 174.74 174.11 3i4k s ILE 36 N 1.00 1.26 -0.72 0.60 1.01 0.91 -4.52 121.20 120.75 3i4k s ILE 36 Ca 0.01 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3i4k s ILE 36 Cb -0.14 -1.15 0.13 0.00 0.01 0.00 0.00 42.46 41.31 3i4k s ILE 36 CO 0.02 0.38 0.82 -0.22 0.00 0.00 0.00 174.94 175.94 3i4k s LEU 37 N 0.67 5.57 -0.45 2.97 2.96 0.57 0.90 118.68 131.87 3i4k s LEU 37 Ca -0.14 -1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 51.67 3i4k s LEU 37 Cb -0.16 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.25 3i4k s LEU 37 CO 0.04 -1.01 1.18 -0.22 -1.32 0.00 0.00 176.35 175.02 3i4k s LEU 38 N 2.22 3.67 -0.10 -0.68 2.96 0.19 0.54 118.68 127.47 3i4k s LEU 38 Ca 0.18 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3i4k s LEU 38 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3i4k s LEU 38 CO -0.00 -1.24 0.06 -0.69 -1.32 0.00 0.00 176.35 173.16 3i4k s VAL 39 N 4.51 4.83 -0.01 1.68 1.01 0.16 -0.20 120.40 132.38 3i4k s VAL 39 Ca 0.50 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3i4k s VAL 39 Cb -0.09 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3i4k s VAL 39 CO 0.30 0.61 -0.14 -0.94 0.00 0.00 0.00 175.10 174.93 3i4k s SER 40 N -0.90 1.63 -0.22 3.32 1.04 0.80 -0.31 113.70 119.07 3i4k s SER 40 Ca 0.14 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 3i4k s SER 40 Cb -0.12 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3i4k s SER 40 CO 0.03 0.17 -0.04 -0.69 0.98 0.00 0.00 173.24 173.69 3i4k s VAL 41 N -0.32 3.37 -0.30 5.02 1.01 0.79 -1.18 120.40 128.79 3i4k s VAL 41 Ca 0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3i4k s VAL 41 Cb -0.05 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3i4k s VAL 41 CO -0.01 0.41 0.20 -1.00 0.00 0.00 0.00 175.10 174.70 3i4k s HIS 42 N 1.47 3.21 0.05 5.22 3.76 0.14 -0.53 115.29 128.61 3i4k s HIS 42 Ca 0.06 -0.09 -0.04 0.00 -0.15 0.00 0.00 55.06 54.83 3i4k s HIS 42 Cb -0.14 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 3i4k s HIS 42 CO -0.03 -0.27 0.27 -0.51 -0.85 0.00 0.00 174.74 173.35 3i4k s LEU 43 N 1.72 4.34 0.35 0.89 1.43 -0.11 -0.64 118.68 126.67 3i4k s LEU 43 Ca 0.06 0.48 0.16 0.00 -1.03 0.00 0.00 54.13 53.80 3i4k s LEU 43 Cb -0.16 -2.88 1.15 0.00 0.03 0.00 0.00 46.19 44.33 3i4k s LEU 43 CO 0.10 0.19 1.62 -0.08 0.23 0.00 0.00 176.35 178.41 3i4k h GLU 44 N 3.50 0.15 -0.59 1.70 4.57 -0.92 0.54 114.58 123.54 3i4k h GLU 44 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3i4k h GLU 44 Cb 1.18 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3i4k h GLU 44 CO 0.70 0.10 0.00 0.27 -1.18 0.00 0.00 179.01 178.90 3i4k n ASN 45 N -5.18 0.59 0.00 1.04 2.04 -0.98 -4.83 115.26 107.93 3i4k n ASN 45 Ca 0.33 -1.58 0.00 0.00 -0.44 0.00 0.00 54.58 52.89 3i4k n ASN 45 Cb 1.08 -0.29 0.00 0.00 -2.53 0.00 0.00 39.78 38.04 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 0.15 2.98 3.77 4.83 0.00 0.19 -5.01 105.19 112.10 3i4k n GLY 46 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.93 2.99 -0.14 1.61 0.11 -1.24 -4.78 120.40 117.03 3i4k s VAL 47 Ca 0.00 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 3i4k s VAL 47 Cb 0.00 -3.40 0.02 0.00 -1.53 0.00 0.00 36.38 31.47 3i4k s VAL 47 CO 0.00 0.02 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.02 3i4k s ILE 48 N -1.48 1.49 -0.06 7.04 1.01 -1.26 -0.93 121.20 127.01 3i4k s ILE 48 Ca 0.62 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3i4k s ILE 48 Cb -0.31 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3i4k s ILE 48 CO 0.38 0.45 0.12 -0.83 0.00 0.00 0.00 174.94 175.05 3i4k s GLY 49 N 1.42 2.09 0.03 6.18 0.00 0.31 -4.69 107.32 112.66 3i4k s GLY 49 Ca 0.03 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.09 3i4k s GLY 49 CO -0.09 -0.55 -0.23 -0.19 0.00 0.00 0.00 173.10 172.04 3i4k s TYR 50 N -1.12 2.43 0.04 1.90 2.02 -1.26 -0.15 117.35 121.21 3i4k s TYR 50 Ca 0.19 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 3i4k s TYR 50 Cb -0.12 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3i4k s TYR 50 CO 0.09 0.16 0.13 0.20 -1.57 0.00 0.00 175.55 174.55 3i4k s GLY 51 N -1.21 0.14 -0.13 0.71 0.00 0.58 -3.74 107.32 103.67 3i4k s GLY 51 Ca 0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 3i4k s GLY 51 CO 0.03 -0.64 -0.08 -0.54 0.00 0.00 0.00 173.10 171.86 3i4k s GLU 52 N -2.67 3.40 -0.57 2.90 2.02 -1.26 0.36 118.70 122.87 3i4k s GLU 52 Ca -0.04 -0.59 -0.14 0.00 0.02 0.00 0.00 54.97 54.21 3i4k s GLU 52 Cb -0.01 -2.74 0.14 0.00 0.10 0.00 0.00 34.13 31.63 3i4k s GLU 52 CO -0.05 0.30 0.51 0.20 0.02 0.00 0.00 175.26 176.24 3i4k s GLY 53 N 0.16 2.19 -0.09 -1.39 0.00 0.19 -3.91 107.32 104.46 3i4k s GLY 53 Ca -0.04 -2.69 -0.08 0.00 0.00 0.00 0.00 44.72 41.91 3i4k s GLY 53 CO 0.04 1.19 0.23 0.54 0.00 0.00 0.00 173.10 175.09 3i4k s VAL 54 N 1.26 -0.01 0.26 1.40 0.11 -1.26 -0.31 120.40 121.85 3i4k s VAL 54 Ca 0.06 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 3i4k s VAL 54 Cb -0.26 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 3i4k s VAL 54 CO 0.00 0.01 -0.11 0.68 -3.33 0.00 0.00 175.10 172.35 3i4k s VAL 55 N 0.26 1.86 -1.14 2.04 -7.23 -1.26 -4.86 120.40 110.07 3i4k s VAL 55 Ca -0.01 -2.20 -0.24 0.00 -1.81 0.00 0.00 61.98 57.71 3i4k s VAL 55 Cb -0.03 -2.31 -0.14 0.00 0.56 0.00 0.00 36.38 34.46 3i4k s VAL 55 CO -0.01 -0.40 2.01 -2.84 -0.31 0.00 0.00 175.10 173.55 3i4k s PRO 56 N -3.66 2.00 0.00 4.82 0.02 -1.17 -4.37 135.00 132.64 3i4k s PRO 56 Ca 0.28 -0.87 0.00 0.00 0.02 0.00 0.00 61.00 60.43 3i4k s PRO 56 Cb 0.01 -5.14 0.00 0.00 0.02 0.00 0.00 34.50 29.39 3i4k s PRO 56 CO 0.11 -4.55 0.00 0.41 -0.33 0.00 0.00 177.00 172.65 3i4k n GLY 57 N 5.96 2.22 0.35 0.52 0.00 -1.26 -4.78 105.19 108.19 3i4k n GLY 57 Ca 0.43 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.27 0.00 -0.02 0.00 -1.26 -4.70 105.19 100.47 3i4k n GLY 58 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.06 0.53 0.21 1.61 -0.04 -1.24 -3.02 135.00 132.98 3i4k n PRO 59 Ca -0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 3i4k n PRO 59 Cb 0.05 -1.48 0.47 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.18 0.54 5.08 -1.92 -0.33 115.95 119.50 3i4k h TRP 60 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3i4k h TRP 60 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3i4k h TRP 60 CO 0.00 0.29 -0.09 2.35 -1.28 0.00 0.00 178.44 179.71 3i4k h TRP 61 N 0.00 -0.22 0.00 0.12 7.01 -1.84 -3.43 115.95 117.59 3i4k h TRP 61 Ca -0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 3i4k h TRP 61 Cb 0.59 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 3i4k h TRP 61 CO 0.00 0.16 0.00 0.41 -2.79 0.00 0.00 178.44 176.22 3i4k n GLY 62 N 0.02 -0.75 0.00 2.65 0.00 -1.21 -5.03 105.19 100.86 3i4k n GLY 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.10 3.69 -0.02 0.00 -0.14 -5.07 105.19 103.76 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 -0.95 2.71 0.13 1.61 2.02 -1.26 -4.93 118.70 118.04 3i4k s GLU 64 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 3i4k s GLU 64 Cb 0.00 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 3i4k s GLU 64 CO 0.00 0.59 0.15 -1.54 0.02 0.00 0.00 175.26 174.48 3i4k s SER 65 N -1.88 0.21 0.31 -0.19 1.04 -1.26 -3.73 113.70 108.20 3i4k s SER 65 Ca 0.22 -1.01 0.08 0.00 0.48 0.00 0.00 55.95 55.73 3i4k s SER 65 Cb -0.12 0.34 0.87 0.00 0.10 0.00 0.00 66.02 67.21 3i4k s SER 65 CO 0.14 -0.78 1.70 1.62 0.98 0.00 0.00 173.24 176.90 3i4k h VAL 66 N 2.76 0.46 -0.16 5.02 3.04 -1.89 0.15 116.25 125.63 3i4k h VAL 66 Ca -0.34 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.17 3i4k h VAL 66 Cb 1.20 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 3i4k h VAL 66 CO 0.55 0.08 0.02 -0.33 -1.01 0.00 0.00 177.57 176.89 3i4k h GLU 67 N 0.46 0.28 -0.77 4.17 3.07 -1.97 -1.70 114.58 118.12 3i4k h GLU 67 Ca 0.63 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3i4k h GLU 67 Cb 1.25 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3i4k h GLU 67 CO -0.53 0.46 0.00 2.41 -1.40 0.00 0.00 179.01 179.96 3i4k n THR 68 N -4.77 0.02 0.00 1.13 -1.04 0.53 -2.08 114.28 108.06 3i4k n THR 68 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3i4k n THR 68 Cb 0.19 -0.21 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 0.67 0.00 -0.25 -2.82 4.81 -0.64 -2.40 118.16 117.52 3i4k n LYS 70 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3i4k n LYS 70 Cb 0.01 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.20 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 1.20 0.02 3.14 0.00 -1.69 0.12 119.26 122.05 3i4k h ALA 71 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3i4k h ALA 71 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i4k h ALA 71 CO 0.00 0.61 -0.58 -0.07 0.00 0.00 0.00 179.25 179.21 3i4k h LEU 72 N 1.08 0.48 0.35 0.00 3.38 -1.75 -1.49 115.31 117.37 3i4k h LEU 72 Ca 0.26 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3i4k h LEU 72 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i4k h LEU 72 CO -0.03 1.21 -0.17 0.58 0.09 0.00 0.00 178.44 180.12 3i4k h VAL 73 N -0.19 0.67 0.54 1.22 2.07 -1.81 0.70 116.25 119.44 3i4k h VAL 73 Ca -0.08 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3i4k h VAL 73 Cb 1.31 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3i4k h VAL 73 CO 0.11 0.04 -0.26 0.44 0.02 0.00 0.00 177.57 177.92 3i4k h ASP 74 N -0.58 -0.61 1.65 0.57 3.32 -0.87 0.15 116.42 120.05 3i4k h ASP 74 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3i4k h ASP 74 Cb 0.43 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3i4k h ASP 74 CO 0.08 -0.36 -0.12 1.23 -1.72 0.00 0.00 179.24 178.34 3i4k h GLY 75 N -0.82 0.00 0.00 2.75 0.00 -1.34 -3.41 103.07 100.24 3i4k h GLY 75 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3i4k h GLY 75 CO 0.12 0.00 -0.46 -1.72 0.00 0.00 0.00 176.54 174.48 3i4k n TYR 76 N -2.69 0.00 0.05 5.60 4.02 -0.11 -4.90 117.16 119.13 3i4k n TYR 76 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 3i4k n TYR 76 Cb 0.49 0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.90 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 -0.19 -0.61 7.72 3.38 -0.92 -3.38 115.31 121.30 3i4k h LEU 77 Ca 0.00 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3i4k h LEU 77 Cb 0.46 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 3i4k h LEU 77 CO 0.00 0.36 -0.28 0.00 0.09 0.00 0.00 178.44 178.61 3i4k h ALA 78 N -0.73 0.11 0.00 1.53 0.00 -0.92 -0.44 119.26 118.82 3i4k h ALA 78 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i4k h ALA 78 Cb 0.38 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i4k h ALA 78 CO 0.04 -0.60 0.23 -0.35 0.00 0.00 0.00 179.25 178.57 3i4k n PRO 79 N -5.44 0.06 0.08 0.00 -0.04 -1.26 -0.57 135.00 127.83 3i4k n PRO 79 Ca 0.05 0.50 -0.15 0.00 -0.04 0.00 0.00 63.50 63.86 3i4k n PRO 79 Cb 0.35 -1.94 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 3i4k n PRO 79 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i4k h VAL 80 N 0.00 1.35 -0.25 0.52 2.07 -1.26 -3.35 116.25 115.33 3i4k h VAL 80 Ca 0.00 -2.97 -0.17 0.00 0.82 0.00 0.00 66.70 64.38 3i4k h VAL 80 Cb 0.45 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3i4k h VAL 80 CO 0.00 0.85 -0.49 -0.07 0.02 0.00 0.00 177.57 177.88 3i4k h LEU 81 N 0.06 0.87 -9.23 2.57 4.07 -0.92 -3.46 115.31 109.26 3i4k h LEU 81 Ca -0.17 -0.54 -0.70 0.00 0.08 0.00 0.00 57.88 56.55 3i4k h LEU 81 Cb 1.97 -0.25 0.04 0.00 1.08 0.00 0.00 40.66 43.51 3i4k h LEU 81 CO 0.18 1.25 0.57 -0.38 -1.08 0.00 0.00 178.44 178.97 3i4k n ILE 82 N -4.10 0.08 -0.66 1.22 5.41 -1.19 -1.74 119.36 118.38 3i4k n ILE 82 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3i4k n ILE 82 Cb 0.59 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 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 2.96 0.69 3.35 7.39 0.00 -0.36 -5.00 105.19 114.23 3i4k n GLY 83 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 1.32 0.30 1.61 0.52 -0.71 -4.86 118.95 116.79 3i4k s ARG 84 Ca 0.00 -1.37 -0.29 0.00 -0.52 0.00 0.00 55.73 53.55 3i4k s ARG 84 Cb 0.00 -1.57 -0.10 0.00 0.52 0.00 0.00 34.95 33.80 3i4k s ARG 84 CO 0.00 0.34 1.14 0.00 0.02 0.00 0.00 175.30 176.80 3i4k s ALA 85 N -1.58 3.40 -0.19 2.13 0.00 -1.26 -0.60 121.76 123.65 3i4k s ALA 85 Ca 0.15 0.96 0.27 0.00 0.00 0.00 0.00 51.96 53.34 3i4k s ALA 85 Cb -0.08 -3.35 1.24 0.00 0.00 0.00 0.00 23.12 20.93 3i4k s ALA 85 CO 0.07 -0.26 1.82 -0.24 0.00 0.00 0.00 175.76 177.14 3i4k h VAL 86 N 3.03 0.00 0.00 0.00 3.04 -1.76 -1.28 116.25 119.28 3i4k h VAL 86 Ca -0.47 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3i4k h VAL 86 Cb 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3i4k h VAL 86 CO 0.66 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.68 3i4k n SER 87 N -2.49 0.00 -1.30 3.17 3.41 -1.26 -2.00 113.62 113.15 3i4k n SER 87 Ca 0.00 -1.32 0.09 0.00 -0.26 0.00 0.00 58.87 57.38 3i4k n SER 87 Cb 0.18 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.74 3.40 0.00 4.33 1.02 -0.48 -4.81 120.64 123.36 3i4k n GLU 88 Ca 0.10 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 3i4k n GLU 88 Cb 0.05 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 0.82 0.00 -0.31 -4.62 7.94 -0.85 -0.31 117.00 119.67 3i4k n LEU 89 Ca 0.22 0.48 0.10 0.00 -1.11 0.00 0.00 56.01 55.71 3i4k n LEU 89 Cb 0.79 -0.24 0.27 0.00 0.53 0.00 0.00 43.42 44.77 3i4k n LEU 89 CO 0.19 -0.24 1.12 0.00 -1.11 0.00 0.00 177.39 177.35 3i4k h ALA 90 N -0.49 1.44 -0.32 1.96 0.00 -1.89 -1.16 119.26 118.80 3i4k h ALA 90 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 90 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i4k h ALA 90 CO 0.00 -0.14 -0.28 0.78 0.00 0.00 0.00 179.25 179.61 3i4k h GLY 91 N 0.61 0.71 -1.86 0.00 0.00 -1.04 -2.37 103.07 99.12 3i4k h GLY 91 Ca 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3i4k h GLY 91 CO -0.41 0.57 0.00 1.39 0.00 0.00 0.00 176.54 178.09 3i4k n ILE 92 N -4.09 0.32 0.00 2.60 5.41 -0.24 -1.52 119.36 121.84 3i4k n ILE 92 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i4k n ILE 92 Cb 0.45 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 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 0.74 0.00 0.24 -1.39 0.00 -0.89 -1.18 120.51 118.03 3i4k n ALA 94 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3i4k n ALA 94 Cb 0.17 0.00 0.45 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 -0.67 0.00 3.32 -1.56 -3.05 116.42 114.47 3i4k h ASP 95 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i4k h ASP 95 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3i4k h ASP 95 CO 0.00 0.10 0.40 -0.07 -1.72 0.00 0.00 179.24 177.95 3i4k h LEU 96 N 0.00 0.82 -2.01 1.55 3.38 -1.43 -1.96 115.31 115.66 3i4k h LEU 96 Ca -0.00 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3i4k h LEU 96 Cb 0.75 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3i4k h LEU 96 CO 0.01 0.64 0.29 -0.33 0.09 0.00 0.00 178.44 179.14 3i4k h GLU 97 N 0.94 0.00 0.00 1.13 4.39 -1.71 -0.71 114.58 118.62 3i4k h GLU 97 Ca 0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 3i4k h GLU 97 Cb -0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3i4k h GLU 97 CO -0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.72 3i4k h ARG 98 N 0.00 0.00 0.00 2.33 3.08 -1.51 -3.30 114.38 114.98 3i4k h ARG 98 Ca 0.18 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 3i4k h ARG 98 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3i4k h ARG 98 CO -0.00 0.08 -1.81 1.33 -1.07 0.00 0.00 179.97 178.50 3i4k n VAL 99 N -3.21 0.62 -3.61 2.04 0.24 -0.38 -4.96 118.33 109.06 3i4k n VAL 99 Ca 0.00 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.66 3i4k n VAL 99 Cb 0.36 -0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.51 -0.32 0.42 3.34 1.01 -0.55 -5.02 120.40 116.76 3i4k s VAL 100 Ca -0.06 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 3i4k s VAL 100 Cb 0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 3i4k s VAL 100 CO 0.54 0.01 0.83 0.00 0.00 0.00 0.00 175.10 176.49 3i4k s ALA 101 N 2.34 3.25 0.00 5.51 0.00 -1.26 -4.28 121.76 127.31 3i4k s ALA 101 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3i4k s ALA 101 Cb -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3i4k s ALA 101 CO -0.09 0.03 0.00 0.54 0.00 0.00 0.00 175.76 176.24 3i4k n ARG 102 N -1.10 0.00 -4.12 0.00 1.74 -1.26 -4.87 116.66 107.05 3i4k n ARG 102 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 3i4k n ARG 102 Cb 0.54 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.93 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 10.23 -1.82 -0.29 7.54 0.00 -1.26 -4.85 120.51 130.06 3i4k n ALA 103 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 3i4k n ALA 103 Cb 0.00 -1.77 0.10 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.71 0.97 -0.75 0.00 2.47 -1.89 -2.61 114.38 110.85 3i4k h ARG 104 Ca -0.63 -0.06 0.08 0.00 -1.26 0.00 0.00 59.98 58.11 3i4k h ARG 104 Cb 1.38 -0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 29.42 3i4k h ARG 104 CO 0.69 0.64 0.42 1.88 0.56 0.00 0.00 179.97 184.16 3i4k h TYR 105 N 1.00 0.77 -0.40 3.04 0.05 -1.79 0.11 116.97 119.75 3i4k h TYR 105 Ca 0.32 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.09 3i4k h TYR 105 Cb 0.01 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3i4k h TYR 105 CO -0.03 0.34 0.12 0.00 -1.05 0.00 0.00 178.16 177.54 3i4k h ALA 106 N 1.40 0.53 -0.52 3.88 0.00 -1.80 -2.98 119.26 119.76 3i4k h ALA 106 Ca 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3i4k h ALA 106 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i4k h ALA 106 CO -0.21 0.18 0.13 0.87 0.00 0.00 0.00 179.25 180.22 3i4k h LYS 107 N 0.50 0.79 -0.83 0.00 1.57 -1.01 -2.87 116.57 114.72 3i4k h LYS 107 Ca 0.13 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3i4k h LYS 107 Cb 0.27 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3i4k h LYS 107 CO -0.00 0.71 0.54 0.00 -0.57 0.00 0.00 179.45 180.12 3i4k h ALA 108 N 1.38 1.74 -0.31 3.86 0.00 -0.65 -0.86 119.26 124.42 3i4k h ALA 108 Ca 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i4k h ALA 108 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i4k h ALA 108 CO -0.00 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.43 3i4k h ALA 109 N 1.59 0.40 -0.73 0.00 0.00 -1.54 -0.52 119.26 118.45 3i4k h ALA 109 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i4k h ALA 109 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3i4k h ALA 109 CO -0.16 0.03 0.47 0.28 0.00 0.00 0.00 179.25 179.87 3i4k h VAL 110 N 0.34 1.20 0.37 0.00 2.07 -1.34 -0.39 116.25 118.49 3i4k h VAL 110 Ca 0.10 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3i4k h VAL 110 Cb 0.24 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3i4k h VAL 110 CO -0.00 0.20 -0.18 -0.78 0.02 0.00 0.00 177.57 176.83 3i4k h ASP 111 N 0.99 -0.42 -0.87 0.57 1.82 -0.92 -3.09 116.42 114.51 3i4k h ASP 111 Ca 0.27 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 3i4k h ASP 111 Cb -0.08 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.00 3i4k h ASP 111 CO -0.05 -0.29 0.47 0.58 -1.61 0.00 0.00 179.24 178.33 3i4k h VAL 112 N -0.51 1.25 0.00 2.25 2.07 -0.89 -1.48 116.25 118.95 3i4k h VAL 112 Ca -0.05 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3i4k h VAL 112 Cb 0.39 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3i4k h VAL 112 CO 0.08 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3i4k n ALA 113 N -2.40 1.24 0.00 1.67 0.00 -0.18 -0.97 120.51 119.88 3i4k n ALA 113 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i4k n ALA 113 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.69 0.00 0.31 0.00 8.25 -0.56 -1.43 115.22 122.48 3i4k n HIS 115 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3i4k n HIS 115 Cb 0.01 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.63 -0.95 0.41 3.58 -1.32 0.81 116.42 118.31 3i4k h ASP 116 Ca 0.00 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.63 3i4k h ASP 116 Cb 0.00 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.13 3i4k h ASP 116 CO 0.00 -0.45 0.60 0.00 -2.88 0.00 0.00 179.24 176.51 3i4k h ALA 117 N -0.29 1.74 -0.01 -0.78 0.00 -1.50 -0.81 119.26 117.61 3i4k h ALA 117 Ca -0.08 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3i4k h ALA 117 Cb 0.57 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i4k h ALA 117 CO 0.13 -0.03 -0.39 2.35 0.00 0.00 0.00 179.25 181.31 3i4k h TRP 118 N 0.77 0.41 -0.53 0.00 7.01 -1.77 -2.39 115.95 119.45 3i4k h TRP 118 Ca 0.50 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 3i4k h TRP 118 Cb 0.75 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 3i4k h TRP 118 CO -0.00 1.02 0.19 0.00 -2.79 0.00 0.00 178.44 176.85 3i4k h ALA 119 N 0.30 1.33 -0.20 2.65 0.00 -0.43 -1.21 119.26 121.70 3i4k h ALA 119 Ca -0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3i4k h ALA 119 Cb 1.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i4k h ALA 119 CO 0.08 0.49 -0.67 0.00 0.00 0.00 0.00 179.25 179.15 3i4k h ARG 120 N 0.76 0.76 -0.13 0.00 3.08 -1.24 0.42 114.38 118.03 3i4k h ARG 120 Ca 0.18 -0.55 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 3i4k h ARG 120 Cb 0.19 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3i4k h ARG 120 CO -0.01 1.17 -0.04 0.77 -1.07 0.00 0.00 179.97 180.79 3i4k h SER 121 N 0.55 0.17 0.11 7.04 0.02 -0.96 -0.56 113.55 119.91 3i4k h SER 121 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3i4k h SER 121 Cb 1.27 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3i4k h SER 121 CO 0.14 0.24 -0.27 0.18 -1.14 0.00 0.00 176.83 175.98 3i4k n LEU 122 N -4.39 1.54 -3.12 5.07 4.77 -0.50 -4.97 117.00 115.41 3i4k n LEU 122 Ca -0.01 -0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 55.32 3i4k n LEU 122 Cb 0.18 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3i4k n LEU 122 CO 0.36 0.28 0.09 -3.20 -1.33 0.00 0.00 177.39 173.59 3i4k n ASN 123 N -0.20 -2.63 -4.03 -1.43 5.15 -0.22 -5.04 115.26 106.87 3i4k n ASN 123 Ca 0.12 -0.55 -0.09 0.00 -0.60 0.00 0.00 54.58 53.46 3i4k n ASN 123 Cb 0.40 -4.57 -0.08 0.00 -0.53 0.00 0.00 39.78 35.00 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 -3.32 0.11 0.84 3.44 -7.23 0.13 -4.91 120.40 109.46 3i4k s VAL 124 Ca 0.06 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 3i4k s VAL 124 Cb -0.01 -1.81 0.10 0.00 0.56 0.00 0.00 36.38 35.22 3i4k s VAL 124 CO 0.64 -0.48 1.09 -2.84 -0.31 0.00 0.00 175.10 173.20 3i4k s PRO 125 N -3.98 1.68 0.39 4.82 0.02 -1.26 -1.42 135.00 135.26 3i4k s PRO 125 Ca 0.17 1.06 0.13 0.00 0.02 0.00 0.00 61.00 62.38 3i4k s PRO 125 Cb 0.06 -1.84 0.81 0.00 0.02 0.00 0.00 34.50 33.54 3i4k s PRO 125 CO -0.02 -2.01 1.89 0.28 -0.33 0.00 0.00 177.00 176.80 3i4k h VAL 126 N -1.39 1.21 0.00 3.83 2.07 -1.10 -2.79 116.25 118.08 3i4k h VAL 126 Ca -0.46 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3i4k h VAL 126 Cb 1.26 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3i4k h VAL 126 CO 0.52 0.29 -0.08 0.08 0.02 0.00 0.00 177.57 178.39 3i4k h ARG 127 N 0.04 0.00 0.00 1.57 0.11 -1.84 -1.62 114.38 112.64 3i4k h ARG 127 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i4k h ARG 127 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3i4k h ARG 127 CO 0.04 0.08 0.00 -0.25 0.10 0.00 0.00 179.97 179.94 3i4k n ASP 128 N -3.54 0.00 -0.50 0.08 8.00 -1.05 -1.02 116.55 118.51 3i4k n ASP 128 Ca -0.02 -0.19 0.10 0.00 0.71 0.00 0.00 54.79 55.39 3i4k n ASP 128 Cb 0.21 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3i4k n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4k n LEU 129 N -1.21 2.00 -0.33 0.64 4.77 -0.61 -4.35 117.00 117.90 3i4k n LEU 129 Ca 0.12 -0.80 0.09 0.00 -0.03 0.00 0.00 56.01 55.39 3i4k n LEU 129 Cb 0.15 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.41 3i4k n LEU 129 CO 0.16 0.37 0.60 0.18 -1.33 0.00 0.00 177.39 177.36 3i4k n LEU 130 N 0.13 2.79 0.00 2.23 4.77 -0.19 -4.96 117.00 121.77 3i4k n LEU 130 Ca 0.09 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 3i4k n LEU 130 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3i4k n LEU 130 CO 0.23 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3i4k n GLY 131 N -1.19 0.77 2.62 -0.72 0.00 -1.12 -4.82 105.19 100.73 3i4k n GLY 131 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.95 -1.78 3.62 -0.02 0.00 -0.57 -4.95 105.19 100.55 3i4k n GLY 132 Ca 0.00 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 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 3.93 -0.05 2.61 -4.23 -1.26 -3.96 115.64 112.68 3i4k s THR 133 Ca 0.00 -0.46 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 3i4k s THR 133 Cb 0.00 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 3i4k s THR 133 CO 0.00 0.55 0.04 0.52 -0.54 0.00 0.00 174.62 175.19 3i4k n VAL 134 N 2.02 0.32 -3.69 2.29 0.31 0.11 -4.97 118.33 114.71 3i4k n VAL 134 Ca -0.17 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 3i4k n VAL 134 Cb 0.53 -0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.18 0.95 0.00 5.55 1.70 -1.04 -5.06 118.95 118.88 3i4k s ARG 135 Ca -0.03 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.67 3i4k s ARG 135 Cb 0.02 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 3i4k s ARG 135 CO 0.23 -0.34 0.96 -0.40 -1.08 0.00 0.00 175.30 174.67 3i4k n ASP 136 N 0.18 1.96 -3.58 -2.89 5.68 -1.26 -4.64 116.55 111.99 3i4k n ASP 136 Ca -0.17 -1.86 -0.14 0.00 -0.50 0.00 0.00 54.79 52.12 3i4k n ASP 136 Cb 0.61 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.51 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 -0.87 0.79 0.18 0.11 -2.85 -1.26 -1.43 119.74 114.41 3i4k s LYS 137 Ca 0.03 0.47 0.06 0.00 -1.00 0.00 0.00 55.97 55.53 3i4k s LYS 137 Cb 0.01 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 3i4k s LYS 137 CO 0.02 -0.19 -0.13 0.14 0.10 0.00 0.00 175.35 175.29 3i4k s VAL 138 N -0.53 1.51 0.46 1.79 -7.23 -0.99 -4.98 120.40 110.43 3i4k s VAL 138 Ca -0.04 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 57.82 3i4k s VAL 138 Cb -0.02 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3i4k s VAL 138 CO 0.03 -0.64 0.95 -1.81 -0.31 0.00 0.00 175.10 173.32 3i4k s ASP 139 N -3.21 6.80 -0.10 4.85 1.01 -1.26 -2.39 116.67 122.37 3i4k s ASP 139 Ca 0.20 1.61 0.00 0.00 0.71 0.00 0.00 52.55 55.07 3i4k s ASP 139 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.44 3i4k s ASP 139 CO 0.04 -0.44 -0.09 -0.69 0.21 0.00 0.00 175.17 174.20 3i4k s VAL 140 N -2.34 1.06 -0.05 -1.27 1.01 -0.22 -1.34 120.40 117.25 3i4k s VAL 140 Ca 0.60 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 3i4k s VAL 140 Cb -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3i4k s VAL 140 CO 0.20 0.36 0.50 -0.89 0.00 0.00 0.00 175.10 175.27 3i4k s THR 141 N 1.36 5.06 -0.20 3.92 2.01 0.15 -4.56 115.64 123.38 3i4k s THR 141 Ca -0.01 1.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 3i4k s THR 141 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3i4k s THR 141 CO -0.04 0.42 0.31 0.86 -0.69 0.00 0.00 174.62 175.47 3i4k s TRP 142 N -0.03 3.37 -0.16 4.92 -0.11 -0.64 -4.43 118.94 121.86 3i4k s TRP 142 Ca 0.27 0.50 -0.08 0.00 1.22 0.00 0.00 56.10 58.01 3i4k s TRP 142 Cb -0.16 -2.42 -0.04 0.00 -1.50 0.00 0.00 33.47 29.35 3i4k s TRP 142 CO 0.13 0.06 0.10 0.00 -4.62 0.00 0.00 176.95 172.62 3i4k s ALA 143 N 1.07 3.63 -0.14 5.86 0.00 -1.26 -0.36 121.76 130.56 3i4k s ALA 143 Ca 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 3i4k s ALA 143 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3i4k s ALA 143 CO 0.06 0.33 0.02 -0.51 0.00 0.00 0.00 175.76 175.66 3i4k s LEU 144 N -0.13 3.60 0.00 0.00 1.02 0.10 -4.93 118.68 118.35 3i4k s LEU 144 Ca 0.09 0.06 -0.21 0.00 0.02 0.00 0.00 54.13 54.09 3i4k s LEU 144 Cb -0.12 -1.87 0.31 0.00 0.02 0.00 0.00 46.19 44.53 3i4k s LEU 144 CO 0.01 0.26 1.09 0.61 0.02 0.00 0.00 176.35 178.33 3i4k n GLY 145 N 2.97 -2.80 3.67 -3.19 0.00 -1.26 -1.78 105.19 102.80 3i4k n GLY 145 Ca -0.18 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.97 3.26 0.04 1.61 0.11 0.23 -4.53 120.40 118.15 3i4k s VAL 146 Ca 0.71 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 3i4k s VAL 146 Cb -0.07 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.45 3i4k s VAL 146 CO 0.55 -0.03 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.49 3i4k s LEU 147 N 3.70 2.33 0.71 2.54 1.43 -1.26 -4.45 118.68 123.68 3i4k s LEU 147 Ca 0.77 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3i4k s LEU 147 Cb -0.38 0.08 0.03 0.00 0.03 0.00 0.00 46.19 45.95 3i4k s LEU 147 CO 0.33 -0.38 1.19 -2.84 0.23 0.00 0.00 176.35 174.89 3i4k s PRO 148 N -2.32 2.29 0.22 1.29 0.02 -1.26 -4.68 135.00 130.56 3i4k s PRO 148 Ca -0.07 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 3i4k s PRO 148 Cb -0.04 -1.86 0.24 0.00 0.02 0.00 0.00 34.50 32.86 3i4k s PRO 148 CO -0.04 -1.71 1.59 1.25 -0.33 0.00 0.00 177.00 177.77 3i4k h LEU 149 N -0.16 -0.91 -0.48 -5.54 5.85 -2.00 -0.72 115.31 111.36 3i4k h LEU 149 Ca -0.48 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3i4k h LEU 149 Cb 1.29 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 3i4k h LEU 149 CO 0.51 -0.27 0.14 0.44 -0.34 0.00 0.00 178.44 178.92 3i4k h ASP 150 N -0.06 0.70 -0.58 1.25 5.19 -1.97 -1.78 116.42 119.17 3i4k h ASP 150 Ca 0.32 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3i4k h ASP 150 Cb 0.55 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 3i4k h ASP 150 CO -0.76 0.73 0.25 0.58 -3.12 0.00 0.00 179.24 176.92 3i4k h VAL 151 N 0.64 1.22 0.34 -1.35 2.07 -1.76 -1.65 116.25 115.76 3i4k h VAL 151 Ca 0.15 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3i4k h VAL 151 Cb 0.28 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3i4k h VAL 151 CO -0.00 0.26 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 3i4k h ALA 152 N 1.09 -0.45 -0.86 1.67 0.00 -1.01 0.21 119.26 119.90 3i4k h ALA 152 Ca 0.20 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3i4k h ALA 152 Cb 0.17 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3i4k h ALA 152 CO -0.02 -0.71 0.56 0.28 0.00 0.00 0.00 179.25 179.36 3i4k h VAL 153 N -0.54 1.00 -0.30 0.00 2.07 -1.29 -0.19 116.25 117.01 3i4k h VAL 153 Ca -0.05 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3i4k h VAL 153 Cb 0.40 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3i4k h VAL 153 CO 0.08 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3i4k h ALA 154 N 1.55 0.40 -0.19 1.67 0.00 -1.00 -2.27 119.26 119.42 3i4k h ALA 154 Ca 0.39 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3i4k h ALA 154 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i4k h ALA 154 CO -0.15 0.14 -0.15 1.49 0.00 0.00 0.00 179.25 180.58 3i4k h GLU 155 N 0.31 0.30 -0.04 0.00 4.81 0.05 -1.85 114.58 118.16 3i4k h GLU 155 Ca 0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3i4k h GLU 155 Cb 0.43 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3i4k h GLU 155 CO 0.01 0.46 -0.02 0.82 -0.73 0.00 0.00 179.01 179.56 3i4k h ILE 156 N 0.29 1.33 -0.52 2.32 2.04 -0.94 -1.07 117.51 120.96 3i4k h ILE 156 Ca 0.05 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 64.97 3i4k h ILE 156 Cb 0.45 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 3i4k h ILE 156 CO 0.03 0.28 0.15 -0.33 0.00 0.00 0.00 178.15 178.27 3i4k h GLU 157 N -0.30 0.30 0.19 2.37 4.39 -1.21 0.21 114.58 120.52 3i4k h GLU 157 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3i4k h GLU 157 Cb 0.45 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3i4k h GLU 157 CO 0.01 0.20 -0.09 1.49 -1.16 0.00 0.00 179.01 179.45 3i4k h GLU 158 N 0.31 -0.25 -0.55 2.33 4.81 -1.31 -1.97 114.58 117.95 3i4k h GLU 158 Ca 0.26 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3i4k h GLU 158 Cb 0.32 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3i4k h GLU 158 CO -0.29 -0.14 0.28 0.00 -0.73 0.00 0.00 179.01 178.13 3i4k h ARG 159 N -0.29 0.52 -0.09 1.92 2.47 -0.56 0.11 114.38 118.46 3i4k h ARG 159 Ca -0.03 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3i4k h ARG 159 Cb 0.22 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 3i4k h ARG 159 CO 0.04 0.35 -0.11 0.82 0.56 0.00 0.00 179.97 181.63 3i4k h ILE 160 N 0.54 0.71 -0.12 2.04 2.04 -0.44 0.18 117.51 122.46 3i4k h ILE 160 Ca 0.25 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.99 3i4k h ILE 160 Cb 0.16 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3i4k h ILE 160 CO -0.17 0.00 -0.44 -0.33 0.00 0.00 0.00 178.15 177.21 3i4k h GLU 161 N -0.14 0.27 0.00 2.37 4.39 -0.95 -2.05 114.58 118.48 3i4k h GLU 161 Ca 0.07 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.44 3i4k h GLU 161 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 3i4k h GLU 161 CO -0.17 0.67 -2.00 -1.91 -1.16 0.00 0.00 179.01 174.43 3i4k n GLU 162 N -4.00 0.66 0.00 2.33 2.13 0.33 -4.67 120.64 117.42 3i4k n GLU 162 Ca -0.02 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3i4k n GLU 162 Cb 0.50 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3i4k n GLU 162 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3i4k n PHE 163 N -2.61 0.00 -1.01 4.31 3.72 0.58 -4.91 117.46 117.54 3i4k n PHE 163 Ca -0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3i4k n PHE 163 Cb 0.87 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 1.10 0.47 3.66 1.37 0.00 -0.77 0.87 105.19 111.88 3i4k n GLY 164 Ca 0.00 -0.18 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 0.22 2.84 -0.42 1.61 4.13 -1.26 -3.14 115.26 119.25 3i4k n ASN 165 Ca -0.00 1.08 0.11 0.00 1.68 0.00 0.00 54.58 57.45 3i4k n ASN 165 Cb 0.05 -1.37 0.03 0.00 -1.54 0.00 0.00 39.78 36.95 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 3.60 1.04 -3.88 3.52 1.74 -1.26 -4.66 116.66 116.75 3i4k n ARG 166 Ca 0.18 -0.83 -0.12 0.00 -0.77 0.00 0.00 57.85 56.31 3i4k n ARG 166 Cb 0.27 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.54 0.03 -0.01 0.55 1.04 -1.26 -1.79 113.70 109.72 3i4k s SER 167 Ca 0.18 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.58 3i4k s SER 167 Cb 0.18 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 3i4k s SER 167 CO 0.60 -0.06 -0.11 -0.36 0.98 0.00 0.00 173.24 174.28 3i4k s PHE 168 N -0.27 1.05 -0.18 5.02 0.08 -0.10 -1.62 117.98 121.95 3i4k s PHE 168 Ca -0.03 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 3i4k s PHE 168 Cb -0.02 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3i4k s PHE 168 CO -0.00 -0.04 -0.07 0.21 -0.10 0.00 0.00 175.22 175.22 3i4k s LYS 169 N -0.14 3.43 -0.31 0.44 2.20 0.51 -1.02 119.74 124.84 3i4k s LYS 169 Ca 0.02 -0.62 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 3i4k s LYS 169 Cb -0.06 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 3i4k s LYS 169 CO -0.00 -0.00 0.13 -0.51 -0.36 0.00 0.00 175.35 174.60 3i4k s LEU 170 N 0.96 4.09 0.88 5.43 1.43 0.88 0.03 118.68 132.39 3i4k s LEU 170 Ca -0.01 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 3i4k s LEU 170 Cb -0.15 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.25 3i4k s LEU 170 CO 0.00 -0.23 1.10 -0.54 0.23 0.00 0.00 176.35 176.91 3i4k s LYS 171 N 1.55 1.38 0.00 1.70 1.02 -0.73 -2.04 119.74 122.62 3i4k s LYS 171 Ca 0.03 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.74 3i4k s LYS 171 Cb -0.18 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3i4k s LYS 171 CO 0.04 -2.13 0.00 0.41 -0.92 0.00 0.00 175.35 172.75 3i4k n GLY 173 N -1.42 0.29 3.74 -3.33 0.00 -1.26 -4.31 105.19 98.90 3i4k n GLY 173 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.61 0.00 4.61 0.00 -1.24 -4.65 121.76 122.10 3i4k s ALA 174 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3i4k s ALA 174 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3i4k s ALA 174 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3i4k n GLY 175 N 3.21 -0.78 3.66 0.00 0.00 -1.26 -4.79 105.19 105.22 3i4k n GLY 175 Ca -0.12 -1.11 -0.47 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.44 2.92 -0.14 1.61 2.03 -1.26 -4.90 116.55 115.37 3i4k n ASP 176 Ca 0.00 1.08 -0.08 0.00 0.52 0.00 0.00 54.79 56.31 3i4k n ASP 176 Cb 0.00 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 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 6.09 0.58 -0.94 -0.67 0.11 -1.97 -0.41 132.00 134.79 3i4k h PRO 177 Ca -0.46 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3i4k h PRO 177 Cb 1.27 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3i4k h PRO 177 CO 0.88 0.45 0.62 0.00 -0.21 0.00 0.00 178.00 179.73 3i4k h ALA 178 N 1.10 1.39 0.08 -0.75 0.00 -1.99 0.94 119.26 120.04 3i4k h ALA 178 Ca 0.15 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 3i4k h ALA 178 Cb 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.49 3i4k h ALA 178 CO -0.03 0.52 -0.95 0.93 0.00 0.00 0.00 179.25 179.72 3i4k h GLU 179 N 1.19 0.50 -0.76 0.00 5.08 -1.92 -2.59 114.58 116.08 3i4k h GLU 179 Ca 0.37 -0.65 0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3i4k h GLU 179 Cb -0.01 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 3i4k h GLU 179 CO -0.11 1.27 0.40 0.22 -1.00 0.00 0.00 179.01 179.79 3i4k h ASP 180 N 0.04 0.55 -0.27 1.42 3.58 -0.68 0.86 116.42 121.91 3i4k h ASP 180 Ca -0.14 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3i4k h ASP 180 Cb 1.67 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 3i4k h ASP 180 CO 0.18 0.31 0.13 0.74 -2.88 0.00 0.00 179.24 177.72 3i4k h THR 181 N 0.67 1.15 -0.59 2.25 2.02 -0.85 -2.39 112.91 115.17 3i4k h THR 181 Ca 0.37 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.18 3i4k h THR 181 Cb 0.38 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3i4k h THR 181 CO -0.27 0.15 0.34 -0.09 0.37 0.00 0.00 175.52 176.02 3i4k h ARG 182 N 0.31 0.63 -0.22 6.66 2.43 -0.81 0.25 114.38 123.64 3i4k h ARG 182 Ca 0.09 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3i4k h ARG 182 Cb 0.11 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3i4k h ARG 182 CO -0.01 0.42 -0.08 -0.09 -1.51 0.00 0.00 179.97 178.70 3i4k h ARG 183 N 0.65 -0.04 -0.16 0.20 2.43 -0.63 -0.12 114.38 116.71 3i4k h ARG 183 Ca 0.25 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 3i4k h ARG 183 Cb 0.08 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3i4k h ARG 183 CO -0.13 -0.03 -0.45 0.28 -1.51 0.00 0.00 179.97 178.13 3i4k h VAL 184 N -0.04 1.34 -0.43 0.20 2.07 -1.02 -2.18 116.25 116.20 3i4k h VAL 184 Ca 0.11 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.94 3i4k h VAL 184 Cb 0.21 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3i4k h VAL 184 CO -0.25 0.53 0.24 0.00 0.02 0.00 0.00 177.57 178.10 3i4k h ALA 185 N 0.55 0.54 -0.73 1.67 0.00 -0.36 0.30 119.26 121.23 3i4k h ALA 185 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i4k h ALA 185 Cb 1.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3i4k h ALA 185 CO 0.10 -0.10 0.28 0.93 0.00 0.00 0.00 179.25 180.46 3i4k h GLU 186 N 0.47 1.09 -0.04 0.00 5.08 -1.04 -1.51 114.58 118.63 3i4k h GLU 186 Ca 0.18 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3i4k h GLU 186 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3i4k h GLU 186 CO -0.10 0.89 -0.36 1.25 -1.00 0.00 0.00 179.01 179.69 3i4k h LEU 187 N 1.06 0.08 -0.78 1.33 6.46 -0.82 -2.68 115.31 119.96 3i4k h LEU 187 Ca 0.24 -0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.85 3i4k h LEU 187 Cb 0.22 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3i4k h LEU 187 CO -0.02 0.44 -0.52 0.00 -0.62 0.00 0.00 178.44 177.72 3i4k h ALA 188 N 1.57 0.97 0.00 1.25 0.00 0.02 -2.49 119.26 120.56 3i4k h ALA 188 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i4k h ALA 188 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i4k h ALA 188 CO 0.05 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.97 3i4k h ARG 189 N 0.19 0.00 -0.02 0.00 3.08 -1.00 0.36 114.38 116.98 3i4k h ARG 189 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i4k h ARG 189 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3i4k h ARG 189 CO 0.08 0.00 -0.14 0.39 -1.07 0.00 0.00 179.97 179.23 3i4k n GLU 190 N -3.09 1.72 0.00 0.04 1.02 -1.04 -4.69 120.64 114.60 3i4k n GLU 190 Ca 0.01 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 3i4k n GLU 190 Cb 0.34 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.74 0.00 0.00 2.62 0.31 -0.97 -4.89 118.33 116.15 3i4k n VAL 191 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3i4k n VAL 191 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 3i4k n VAL 191 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i4k n GLY 192 N 0.20 -0.21 0.08 2.92 0.00 0.13 -0.65 105.19 107.66 3i4k n GLY 192 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3i4k n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i4k n ASP 193 N -1.15 0.54 -0.05 1.61 8.00 -1.26 -4.40 116.55 119.83 3i4k n ASP 193 Ca 0.00 0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.73 3i4k n ASP 193 Cb 0.13 0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 41.89 3i4k n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i4k n ARG 194 N -2.65 0.71 -4.19 -1.24 1.74 0.18 -5.04 116.66 106.17 3i4k n ARG 194 Ca -0.08 -0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.78 3i4k n ARG 194 Cb 0.72 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 3i4k n ARG 194 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i4k s VAL 195 N -2.98 0.00 -0.21 1.55 -7.23 -1.06 -4.99 120.40 105.48 3i4k s VAL 195 Ca -0.09 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 57.90 3i4k s VAL 195 Cb 0.10 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3i4k s VAL 195 CO 0.84 0.00 0.65 -0.55 -0.31 0.00 0.00 175.10 175.74 3i4k s SER 196 N -3.15 6.69 -0.18 4.85 0.15 -0.74 -4.57 113.70 116.75 3i4k s SER 196 Ca 0.38 0.85 -0.06 0.00 0.70 0.00 0.00 55.95 57.82 3i4k s SER 196 Cb 0.07 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 3i4k s SER 196 CO 0.12 -0.31 0.01 -0.76 1.20 0.00 0.00 173.24 173.51 3i4k s LEU 197 N 2.07 3.50 0.18 3.45 1.43 -1.26 -0.92 118.68 127.12 3i4k s LEU 197 Ca 0.29 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 3i4k s LEU 197 Cb -0.16 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3i4k s LEU 197 CO 0.10 0.15 -0.15 -0.13 0.23 0.00 0.00 176.35 176.54 3i4k s ARG 198 N 0.50 1.25 0.34 1.70 3.00 -0.19 -0.80 118.95 124.74 3i4k s ARG 198 Ca -0.00 -1.46 0.05 0.00 0.00 0.00 0.00 55.73 54.31 3i4k s ARG 198 Cb -0.14 -1.14 -0.07 0.00 0.00 0.00 0.00 34.95 33.61 3i4k s ARG 198 CO 0.02 0.21 0.04 0.96 0.00 0.00 0.00 175.30 176.53 3i4k s ILE 199 N -2.53 1.38 -0.26 1.52 -5.25 -0.59 -0.09 121.20 115.38 3i4k s ILE 199 Ca 0.18 -2.01 -0.07 0.00 -0.99 0.00 0.00 60.65 57.75 3i4k s ILE 199 Cb -0.03 -2.80 0.12 0.00 2.95 0.00 0.00 42.46 42.70 3i4k s ILE 199 CO 0.06 -0.03 0.54 -0.62 -1.79 0.00 0.00 174.94 173.10 3i4k s ASP 200 N -3.52 -0.76 0.00 4.36 -1.08 -0.86 -1.37 116.67 113.44 3i4k s ASP 200 Ca 0.36 1.20 0.18 0.00 -0.52 0.00 0.00 52.55 53.77 3i4k s ASP 200 Cb 0.09 1.87 0.38 0.00 -1.46 0.00 0.00 42.92 43.79 3i4k s ASP 200 CO 0.16 -0.23 1.30 -0.38 0.52 0.00 0.00 175.17 176.53 3i4k n ILE 201 N 5.42 0.62 -4.10 4.11 5.41 -1.17 -4.28 119.36 125.37 3i4k n ILE 201 Ca -0.09 -0.81 -0.30 0.00 1.00 0.00 0.00 62.75 62.55 3i4k n ILE 201 Cb 0.49 0.84 -0.04 0.00 -0.71 0.00 0.00 39.64 40.22 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 1.15 -0.93 -1.33 4.38 3.02 -1.13 -1.18 115.26 119.24 3i4k n ASN 202 Ca 0.16 -1.06 -0.15 0.00 -0.03 0.00 0.00 54.58 53.50 3i4k n ASN 202 Cb 0.52 -2.69 -0.07 0.00 -0.61 0.00 0.00 39.78 36.93 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 -4.42 -0.23 0.34 5.41 0.00 0.87 -4.86 120.51 117.62 3i4k n ALA 203 Ca -0.20 0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3i4k n ALA 203 Cb 0.63 -1.69 0.23 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.81 2.29 -4.55 0.00 5.12 -0.32 -3.61 116.66 113.78 3i4k n ARG 204 Ca -0.15 -1.84 -0.31 0.00 -1.93 0.00 0.00 57.85 53.61 3i4k n ARG 204 Cb 0.55 -1.44 -0.11 0.00 -1.16 0.00 0.00 32.46 30.29 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 -1.40 2.74 0.69 -1.55 0.52 -1.01 -5.00 118.94 113.94 3i4k s TRP 205 Ca 0.34 -0.14 -0.08 0.00 0.02 0.00 0.00 56.10 56.24 3i4k s TRP 205 Cb 0.18 -1.54 0.04 0.00 -1.15 0.00 0.00 33.47 31.00 3i4k s TRP 205 CO 0.22 0.32 1.02 0.16 0.02 0.00 0.00 176.95 178.69 3i4k s ASP 206 N -1.43 5.08 0.15 2.95 1.47 -1.26 -4.10 116.67 119.52 3i4k s ASP 206 Ca 0.16 0.68 -0.19 0.00 1.18 0.00 0.00 52.55 54.38 3i4k s ASP 206 Cb -0.11 -1.42 0.04 0.00 -0.34 0.00 0.00 42.92 41.08 3i4k s ASP 206 CO 0.07 -1.46 1.68 -0.09 0.68 0.00 0.00 175.17 176.04 3i4k h ARG 207 N -0.57 -0.04 -0.63 2.11 2.43 -1.99 -1.34 114.38 114.35 3i4k h ARG 207 Ca -0.45 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3i4k h ARG 207 Cb 1.29 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 3i4k h ARG 207 CO 0.62 -0.03 0.37 -0.09 -1.51 0.00 0.00 179.97 179.33 3i4k h ARG 208 N -0.05 0.68 -0.70 0.20 2.43 -1.99 -1.34 114.38 113.62 3i4k h ARG 208 Ca 0.15 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3i4k h ARG 208 Cb 0.27 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3i4k h ARG 208 CO -0.32 0.45 0.19 1.15 -1.51 0.00 0.00 179.97 179.93 3i4k h THR 209 N 0.70 1.26 -0.25 0.20 2.02 -1.85 -2.10 112.91 112.90 3i4k h THR 209 Ca 0.27 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 3i4k h THR 209 Cb 0.10 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3i4k h THR 209 CO -0.14 0.36 0.01 0.00 0.37 0.00 0.00 175.52 176.12 3i4k h ALA 210 N 1.16 0.34 0.00 6.16 0.00 -0.72 -2.22 119.26 123.97 3i4k h ALA 210 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i4k h ALA 210 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i4k h ALA 210 CO -0.00 0.05 -0.16 -0.07 0.00 0.00 0.00 179.25 179.07 3i4k h LEU 211 N 0.22 0.00 0.08 0.00 3.38 -1.17 -1.27 115.31 116.55 3i4k h LEU 211 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3i4k h LEU 211 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3i4k h LEU 211 CO 0.01 0.16 -0.63 -0.74 0.09 0.00 0.00 178.44 177.32 3i4k h HIS 212 N 0.00 0.31 0.06 1.13 2.76 -1.22 -3.41 115.15 114.78 3i4k h HIS 212 Ca -0.00 -0.22 -0.34 0.00 -2.20 0.00 0.00 60.37 57.60 3i4k h HIS 212 Cb 0.37 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 3i4k h HIS 212 CO 0.00 1.24 -1.98 0.66 -1.30 0.00 0.00 177.93 176.55 3i4k n TYR 213 N -4.29 0.95 -0.28 5.26 4.01 -0.85 -4.32 117.16 117.64 3i4k n TYR 213 Ca -0.15 0.25 0.24 0.00 -0.16 0.00 0.00 57.90 58.08 3i4k n TYR 213 Cb 0.70 -1.14 0.56 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.04 0.33 -1.32 7.72 3.38 -1.44 0.22 115.31 124.24 3i4k h LEU 214 Ca -0.40 0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3i4k h LEU 214 Cb 2.03 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.73 3i4k h LEU 214 CO 0.06 0.09 0.51 -0.65 0.09 0.00 0.00 178.44 178.54 3i4k h PRO 215 N 0.31 0.79 -0.77 1.13 0.11 -1.79 0.05 132.00 131.83 3i4k h PRO 215 Ca 0.53 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.56 3i4k h PRO 215 Cb 1.52 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3i4k h PRO 215 CO -0.19 0.52 0.34 0.82 -0.21 0.00 0.00 178.00 179.28 3i4k h ILE 216 N 0.81 1.25 -0.06 4.15 2.04 -0.80 -1.54 117.51 123.36 3i4k h ILE 216 Ca 0.34 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 3i4k h ILE 216 Cb 0.28 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3i4k h ILE 216 CO -0.12 0.31 -0.47 -0.07 0.00 0.00 0.00 178.15 177.80 3i4k h LEU 217 N 1.10 0.15 -0.47 1.44 3.38 -1.07 -2.39 115.31 117.45 3i4k h LEU 217 Ca 0.26 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3i4k h LEU 217 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i4k h LEU 217 CO -0.03 0.60 -0.13 0.00 0.09 0.00 0.00 178.44 178.97 3i4k h ALA 218 N 1.41 0.65 0.00 1.53 0.00 -0.50 -1.19 119.26 121.15 3i4k h ALA 218 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3i4k h ALA 218 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i4k h ALA 218 CO 0.07 0.56 -0.34 1.49 0.00 0.00 0.00 179.25 181.04 3i4k h GLU 219 N 0.76 0.00 0.00 0.00 4.81 -1.18 -2.37 114.58 116.60 3i4k h GLU 219 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3i4k h GLU 219 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3i4k h GLU 219 CO 0.05 0.34 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 3i4k n ALA 220 N -2.40 2.35 0.00 2.92 0.00 -0.91 -4.92 120.51 117.55 3i4k n ALA 220 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i4k n ALA 220 Cb 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3i4k n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4k n GLY 221 N 1.38 0.74 3.70 0.00 0.00 -0.89 -4.54 105.19 105.58 3i4k n GLY 221 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 2.61 -1.05 1.61 1.01 -0.48 -4.67 120.40 117.43 3i4k s VAL 222 Ca 0.00 0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.48 3i4k s VAL 222 Cb 0.00 -3.18 -0.14 0.00 0.00 0.00 0.00 36.38 33.06 3i4k s VAL 222 CO 0.00 0.01 1.07 -0.62 0.00 0.00 0.00 175.10 175.56 3i4k n GLU 223 N 4.91 0.06 -3.68 2.72 1.02 0.02 -4.55 120.64 121.13 3i4k n GLU 223 Ca 0.16 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 3i4k n GLU 223 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.97 -0.24 -0.46 -4.62 2.96 -1.24 -4.01 118.68 108.10 3i4k s LEU 224 Ca 0.10 0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 54.83 3i4k s LEU 224 Cb 0.17 1.34 0.10 0.00 0.50 0.00 0.00 46.19 48.30 3i4k s LEU 224 CO 0.80 -0.20 0.32 -0.36 -1.32 0.00 0.00 176.35 175.59 3i4k s PHE 225 N 1.72 3.38 0.04 5.38 0.08 -0.51 -1.55 117.98 126.53 3i4k s PHE 225 Ca -0.07 -1.71 -0.27 0.00 0.12 0.00 0.00 56.93 55.00 3i4k s PHE 225 Cb -0.09 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 3i4k s PHE 225 CO -0.13 -0.94 0.83 -2.00 -0.10 0.00 0.00 175.22 172.88 3i4k s GLU 226 N 1.40 4.54 0.00 0.44 2.12 -0.47 -4.31 118.70 122.42 3i4k s GLU 226 Ca 0.05 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.55 3i4k s GLU 226 Cb -0.25 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3i4k s GLU 226 CO 0.01 0.19 0.00 0.94 -0.54 0.00 0.00 175.26 175.85 3i4k n GLN 227 N 3.11 -0.37 0.22 4.30 -0.06 -1.26 -3.06 117.38 120.26 3i4k n GLN 227 Ca 0.00 -0.18 0.10 0.00 -2.00 0.00 0.00 57.00 54.92 3i4k n GLN 227 Cb 0.50 0.33 0.47 0.00 -4.06 0.00 0.00 30.24 27.48 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 1.58 0.00 -5.23 3.69 0.13 -1.91 0.25 132.00 130.51 3i4k h PRO 228 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3i4k h PRO 228 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 3i4k h PRO 228 CO 0.00 0.22 -0.58 0.95 -0.23 0.00 0.00 178.00 178.36 3i4k s THR 229 N -3.67 1.14 0.19 1.56 -4.23 -1.26 -2.39 115.64 106.98 3i4k s THR 229 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3i4k s THR 229 Cb 0.10 -2.65 -0.17 0.00 1.34 0.00 0.00 72.50 71.12 3i4k s THR 229 CO 0.63 0.00 0.79 -2.65 -0.54 0.00 0.00 174.62 172.86 3i4k n PRO 230 N -0.83 0.45 -0.19 3.99 -0.02 -1.24 -4.16 135.00 133.02 3i4k n PRO 230 Ca -0.05 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3i4k n PRO 230 Cb 0.66 -1.38 0.44 0.00 -0.02 0.00 0.00 33.50 33.20 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 1.85 1.95 0.00 3.55 0.00 -1.88 -2.45 119.26 122.28 3i4k h ALA 231 Ca -0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3i4k h ALA 231 Cb 1.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i4k h ALA 231 CO 0.61 -0.15 -0.16 0.38 0.00 0.00 0.00 179.25 179.94 3i4k h ASP 232 N 0.55 0.00 -1.75 0.00 2.03 -1.91 -3.39 116.42 111.94 3i4k h ASP 232 Ca 0.37 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.93 3i4k h ASP 232 Cb 0.68 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.02 3i4k h ASP 232 CO -0.14 0.16 1.69 -0.67 -1.03 0.00 0.00 179.24 179.25 3i4k n ASP 233 N -3.18 5.12 0.05 4.15 -0.08 -0.92 -4.78 116.55 116.89 3i4k n ASP 233 Ca 0.02 -3.01 -0.02 0.00 -1.51 0.00 0.00 54.79 50.27 3i4k n ASP 233 Cb 0.51 -1.56 0.23 0.00 2.34 0.00 0.00 41.12 42.64 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 9.36 0.39 -1.53 -2.67 3.38 -1.84 -2.82 115.31 119.59 3i4k h LEU 234 Ca 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3i4k h LEU 234 Cb 0.79 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3i4k h LEU 234 CO 1.40 0.67 0.14 -0.33 0.09 0.00 0.00 178.44 180.42 3i4k h GLU 235 N 0.34 0.46 -0.25 1.13 5.08 -1.91 -2.06 114.58 117.37 3i4k h GLU 235 Ca 0.05 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3i4k h GLU 235 Cb 0.68 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3i4k h GLU 235 CO 0.05 0.37 -0.48 1.15 -1.00 0.00 0.00 179.01 179.11 3i4k h THR 236 N 0.46 1.30 -0.83 1.13 2.02 -1.91 -0.80 112.91 114.28 3i4k h THR 236 Ca 0.12 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 3i4k h THR 236 Cb 0.08 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 3i4k h THR 236 CO -0.01 0.53 0.40 -0.07 0.37 0.00 0.00 175.52 176.74 3i4k h LEU 237 N 0.52 1.08 -0.48 2.58 3.38 -1.35 0.64 115.31 121.68 3i4k h LEU 237 Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3i4k h LEU 237 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3i4k h LEU 237 CO 0.10 0.91 0.06 -0.09 0.09 0.00 0.00 178.44 179.51 3i4k h ARG 238 N 1.18 0.82 -0.54 1.13 9.65 -1.30 -3.01 114.38 122.30 3i4k h ARG 238 Ca 0.29 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 3i4k h ARG 238 Cb 0.12 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3i4k h ARG 238 CO -0.04 0.83 0.03 1.49 2.80 0.00 0.00 179.97 185.09 3i4k h GLU 239 N 0.68 0.90 -0.29 0.20 4.57 -0.58 -1.35 114.58 118.71 3i4k h GLU 239 Ca 0.14 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3i4k h GLU 239 Cb 0.42 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3i4k h GLU 239 CO 0.01 0.88 -0.11 -0.84 -1.18 0.00 0.00 179.01 177.78 3i4k h ILE 240 N 0.84 1.22 -0.34 2.32 3.07 -0.79 -1.41 117.51 122.43 3i4k h ILE 240 Ca 0.16 -0.97 -0.17 0.00 1.55 0.00 0.00 64.86 65.44 3i4k h ILE 240 Cb 0.46 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.12 3i4k h ILE 240 CO 0.02 0.32 -0.45 0.74 -1.05 0.00 0.00 178.15 177.73 3i4k h THR 241 N 0.45 1.27 -0.52 0.16 2.02 -1.36 -0.86 112.91 114.07 3i4k h THR 241 Ca 0.09 -1.63 0.06 0.00 0.77 0.00 0.00 66.41 65.69 3i4k h THR 241 Cb 0.46 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 3i4k h THR 241 CO 0.03 0.54 0.24 0.03 0.37 0.00 0.00 175.52 176.72 3i4k h ARG 242 N 0.72 0.45 0.00 6.66 3.08 -0.64 0.65 114.38 125.30 3i4k h ARG 242 Ca 0.04 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3i4k h ARG 242 Cb 1.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3i4k h ARG 242 CO 0.11 0.30 -0.47 0.00 -1.07 0.00 0.00 179.97 178.83 3i4k h ARG 243 N 0.46 0.00 0.00 0.04 3.08 -1.19 -3.37 114.38 113.40 3i4k h ARG 243 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3i4k h ARG 243 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3i4k h ARG 243 CO -0.19 0.46 -0.64 0.25 -1.07 0.00 0.00 179.97 178.78 3i4k n THR 244 N -3.21 0.00 -1.31 2.04 -2.24 -0.34 -5.01 114.28 104.22 3i4k n THR 244 Ca 0.02 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3i4k n THR 244 Cb 0.72 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.34 -5.39 -4.59 3.42 3.02 0.22 -4.98 115.26 105.62 3i4k n ASN 245 Ca 0.00 0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.48 3i4k n ASN 245 Cb 0.13 -3.82 -0.11 0.00 -0.61 0.00 0.00 39.78 35.37 3i4k n ASN 245 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i4k s VAL 246 N -2.02 3.86 0.75 2.41 -7.23 -1.26 -5.07 120.40 111.84 3i4k s VAL 246 Ca 0.00 -0.41 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 3i4k s VAL 246 Cb 0.00 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.35 3i4k s VAL 246 CO 0.00 0.58 0.93 -1.20 -0.31 0.00 0.00 175.10 175.10 3i4k n SER 247 N 2.44 0.22 0.00 4.85 7.64 -1.26 -4.48 113.62 123.03 3i4k n SER 247 Ca -0.18 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3i4k n SER 247 Cb 0.53 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 -2.73 0.00 -3.74 0.44 0.31 -1.26 -1.43 118.33 109.93 3i4k n VAL 248 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.33 3i4k n VAL 248 Cb 0.50 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.31 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 -2.00 -0.69 0.00 3.52 0.00 -0.32 -2.22 121.76 120.05 3i4k s ALA 250 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3i4k s ALA 250 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3i4k s ALA 250 CO 0.00 -0.18 0.00 -3.47 0.00 0.00 0.00 175.76 172.11 3i4k n ASP 251 N 3.74 0.00 0.31 0.00 -0.08 -1.26 -0.82 116.55 118.44 3i4k n ASP 251 Ca -0.20 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.27 3i4k n ASP 251 Cb 0.55 0.00 1.00 0.00 2.34 0.00 0.00 41.12 45.01 3i4k n ASP 251 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3i4k h GLU 252 N 0.00 0.00 0.00 -0.67 9.09 -1.95 -0.90 114.58 120.15 3i4k h GLU 252 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i4k h GLU 252 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i4k h GLU 252 CO 0.00 0.02 -0.00 0.77 0.05 0.00 0.00 179.01 179.85 3i4k h SER 253 N 0.00 0.00 -3.46 3.06 0.02 -1.88 -3.42 113.55 107.87 3i4k h SER 253 Ca -0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3i4k h SER 253 Cb 0.16 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.31 3i4k h SER 253 CO 0.00 0.00 -0.76 -0.69 -1.14 0.00 0.00 176.83 174.25 3i4k s VAL 254 N -3.59 1.46 -0.08 2.27 1.01 -0.34 -4.80 120.40 116.32 3i4k s VAL 254 Ca 0.02 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.42 3i4k s VAL 254 Cb 0.08 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3i4k s VAL 254 CO 0.57 -0.46 -0.08 0.79 0.00 0.00 0.00 175.10 175.91 3i4k n TRP 255 N 4.63 0.00 -4.12 5.22 7.02 -1.26 -4.84 117.44 124.09 3i4k n TRP 255 Ca -0.04 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.22 3i4k n TRP 255 Cb 0.43 -0.32 -0.05 0.00 -2.42 0.00 0.00 31.31 28.95 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 -2.16 3.78 0.23 -0.99 -4.23 -1.26 -4.13 115.64 106.88 3i4k s THR 256 Ca -0.11 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 3i4k s THR 256 Cb 0.03 -3.13 0.18 0.00 1.34 0.00 0.00 72.50 70.92 3i4k s THR 256 CO 0.18 -0.31 1.78 -0.65 -0.54 0.00 0.00 174.62 175.09 3i4k h PRO 257 N 1.58 0.61 -0.96 3.99 0.11 -1.93 0.37 132.00 135.78 3i4k h PRO 257 Ca -0.46 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3i4k h PRO 257 Cb 1.25 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3i4k h PRO 257 CO 0.61 0.40 0.63 0.00 -0.21 0.00 0.00 178.00 179.43 3i4k h ALA 258 N 1.42 1.28 0.00 -0.75 0.00 -1.99 -0.24 119.26 118.98 3i4k h ALA 258 Ca 0.35 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3i4k h ALA 258 Cb 0.35 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3i4k h ALA 258 CO -0.26 0.51 -0.58 0.93 0.00 0.00 0.00 179.25 179.85 3i4k h GLU 259 N 1.21 0.00 -0.35 0.00 5.08 -1.48 -1.26 114.58 117.79 3i4k h GLU 259 Ca 0.38 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3i4k h GLU 259 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3i4k h GLU 259 CO -0.12 0.58 -0.31 0.00 -1.00 0.00 0.00 179.01 178.15 3i4k h ALA 260 N 1.42 0.80 -0.60 3.43 0.00 0.14 -2.34 119.26 122.12 3i4k h ALA 260 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3i4k h ALA 260 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3i4k h ALA 260 CO 0.08 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.29 3i4k h LEU 261 N 0.63 0.96 -0.72 0.00 6.46 -0.80 -1.84 115.31 120.00 3i4k h LEU 261 Ca 0.07 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.55 3i4k h LEU 261 Cb 0.84 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 3i4k h LEU 261 CO 0.07 0.97 0.25 0.00 -0.62 0.00 0.00 178.44 179.11 3i4k h ALA 262 N 1.13 0.95 -0.58 1.25 0.00 -0.98 -0.65 119.26 120.38 3i4k h ALA 262 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3i4k h ALA 262 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i4k h ALA 262 CO 0.02 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 180.12 3i4k h VAL 263 N 1.06 1.27 -0.19 0.00 2.07 -1.21 -1.19 116.25 118.05 3i4k h VAL 263 Ca 0.24 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3i4k h VAL 263 Cb 0.27 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3i4k h VAL 263 CO -0.01 0.43 0.11 0.58 0.02 0.00 0.00 177.57 178.69 3i4k h VAL 264 N 0.95 1.10 -0.04 2.57 2.07 -0.89 -0.45 116.25 121.56 3i4k h VAL 264 Ca 0.16 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3i4k h VAL 264 Cb 0.60 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3i4k h VAL 264 CO 0.04 0.09 -0.24 0.11 0.02 0.00 0.00 177.57 177.59 3i4k h LYS 265 N 0.21 0.06 -0.01 1.57 1.57 -1.02 -2.64 116.57 116.31 3i4k h LYS 265 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3i4k h LYS 265 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i4k h LYS 265 CO -0.01 0.30 -0.16 0.00 -0.57 0.00 0.00 179.45 179.01 3i4k n ALA 266 N -2.49 2.89 -3.97 3.86 0.00 -0.46 -4.92 120.51 115.42 3i4k n ALA 266 Ca -0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3i4k n ALA 266 Cb 0.31 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.25 -4.28 0.06 0.00 6.02 -0.24 -4.84 117.38 113.85 3i4k n GLN 267 Ca 0.15 0.50 0.13 0.00 -0.01 0.00 0.00 57.00 57.76 3i4k n GLN 267 Cb 0.36 -5.10 0.38 0.00 1.02 0.00 0.00 30.24 26.91 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 -4.47 2.60 -3.62 -1.58 0.00 -0.85 -4.60 120.51 107.99 3i4k n ALA 268 Ca -0.10 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 3i4k n ALA 268 Cb 0.58 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.08 -1.91 -0.02 0.00 0.00 -1.26 -3.92 121.76 111.57 3i4k s ALA 269 Ca 0.10 1.81 0.13 0.00 0.00 0.00 0.00 51.96 54.01 3i4k s ALA 269 Cb 0.15 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.20 3i4k s ALA 269 CO 0.62 -0.28 1.44 -0.44 0.00 0.00 0.00 175.76 177.10 3i4k h ASP 270 N 4.00 0.00 -4.52 0.00 3.45 -1.80 -3.46 116.42 114.08 3i4k h ASP 270 Ca -0.27 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 56.83 3i4k h ASP 270 Cb 1.17 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.71 3i4k h ASP 270 CO 0.15 0.64 -0.76 -0.69 -1.57 0.00 0.00 179.24 177.00 3i4k s VAL 271 N -2.99 0.85 -0.12 -1.35 1.01 -1.03 -1.80 120.40 114.96 3i4k s VAL 271 Ca 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3i4k s VAL 271 Cb 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3i4k s VAL 271 CO 0.76 -0.22 -0.22 -0.63 0.00 0.00 0.00 175.10 174.79 3i4k s ILE 272 N -1.16 2.18 -0.79 2.22 1.01 -0.04 -1.17 121.20 123.44 3i4k s ILE 272 Ca -0.04 -0.96 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3i4k s ILE 272 Cb -0.09 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.56 3i4k s ILE 272 CO 0.01 0.55 1.30 0.00 0.00 0.00 0.00 174.94 176.80 3i4k s ALA 273 N 0.59 2.76 -0.23 9.38 0.00 0.00 -1.30 121.76 132.97 3i4k s ALA 273 Ca -0.12 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.09 3i4k s ALA 273 Cb -0.17 -4.29 -0.02 0.00 0.00 0.00 0.00 23.12 18.64 3i4k s ALA 273 CO 0.03 -3.33 0.60 -1.17 0.00 0.00 0.00 175.76 171.89 3i4k s LEU 274 N 5.53 4.10 -0.09 0.00 2.96 -0.67 -4.82 118.68 125.69 3i4k s LEU 274 Ca 0.37 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3i4k s LEU 274 Cb -0.07 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.81 3i4k s LEU 274 CO 0.10 -0.30 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.22 3i4k s LYS 275 N 2.14 1.42 0.54 1.98 1.02 -1.26 -1.30 119.74 124.28 3i4k s LYS 275 Ca 0.26 -0.25 0.21 0.00 0.02 0.00 0.00 55.97 56.22 3i4k s LYS 275 Cb -0.16 -1.42 1.42 0.00 -0.52 0.00 0.00 37.83 37.15 3i4k s LYS 275 CO 0.09 -0.18 2.12 1.79 -0.92 0.00 0.00 175.35 178.26 3i4k h THR 276 N 6.14 0.82 0.04 2.17 1.35 -1.86 -1.66 112.91 119.91 3i4k h THR 276 Ca -0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3i4k h THR 276 Cb 1.15 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3i4k h THR 276 CO 0.42 0.00 -0.02 0.71 -0.25 0.00 0.00 175.52 176.38 3i4k h THR 277 N 0.00 1.34 -0.03 6.82 1.35 -1.93 -0.87 112.91 119.58 3i4k h THR 277 Ca 0.06 -1.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 3i4k h THR 277 Cb 0.28 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3i4k h THR 277 CO -0.00 0.37 -0.17 0.50 -0.25 0.00 0.00 175.52 175.97 3i4k h LYS 278 N -0.76 0.04 -0.00 4.72 3.64 -1.82 -2.50 116.57 119.89 3i4k h LYS 278 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i4k h LYS 278 Cb 0.65 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3i4k h LYS 278 CO 0.01 0.21 -0.10 0.72 -2.27 0.00 0.00 179.45 178.02 3i4k n HIS 279 N -4.32 0.00 -1.88 1.91 8.25 -0.65 -4.48 115.22 114.05 3i4k n HIS 279 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i4k n HIS 279 Cb 0.24 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 1.30 0.78 0.00 -1.41 0.00 -0.94 -4.61 105.19 100.31 3i4k n GLY 280 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.74 2.36 0.12 -0.02 0.00 -0.34 -3.88 105.19 102.70 3i4k n GLY 281 Ca 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 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 0.11 0.06 0.99 3.38 -1.88 -1.97 115.31 116.00 3i4k h LEU 282 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i4k h LEU 282 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i4k h LEU 282 CO 0.00 0.84 -0.03 -0.07 0.09 0.00 0.00 178.44 179.27 3i4k h LEU 283 N 0.05 -0.07 -0.91 1.67 3.38 -1.96 -2.42 115.31 115.05 3i4k h LEU 283 Ca -0.02 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3i4k h LEU 283 Cb 1.37 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 3i4k h LEU 283 CO 0.11 0.31 0.60 -0.33 0.09 0.00 0.00 178.44 179.21 3i4k h GLU 284 N -0.46 1.14 -0.68 1.13 4.39 -1.82 -1.83 114.58 116.46 3i4k h GLU 284 Ca -0.01 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.67 3i4k h GLU 284 Cb 0.40 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3i4k h GLU 284 CO 0.01 0.76 0.45 0.77 -1.16 0.00 0.00 179.01 179.84 3i4k h SER 285 N 1.18 0.64 -0.36 1.42 0.02 -1.28 -0.21 113.55 114.96 3i4k h SER 285 Ca 0.35 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 3i4k h SER 285 Cb -0.05 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3i4k h SER 285 CO -0.10 0.43 0.05 0.11 -1.14 0.00 0.00 176.83 176.18 3i4k h LYS 286 N 0.74 0.70 -0.41 3.45 1.79 -0.82 -2.28 116.57 119.74 3i4k h LYS 286 Ca 0.28 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 3i4k h LYS 286 Cb 0.18 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3i4k h LYS 286 CO -0.09 0.67 -0.12 0.87 -1.08 0.00 0.00 179.45 179.71 3i4k h LYS 287 N 0.67 0.81 -0.33 3.15 1.57 -0.90 -1.45 116.57 120.08 3i4k h LYS 287 Ca 0.14 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3i4k h LYS 287 Cb 0.34 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3i4k h LYS 287 CO 0.01 0.94 0.16 0.82 -0.57 0.00 0.00 179.45 180.81 3i4k h ILE 288 N 0.63 0.97 -0.74 1.86 1.08 -1.07 -1.95 117.51 118.29 3i4k h ILE 288 Ca 0.10 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3i4k h ILE 288 Cb 0.65 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 3i4k h ILE 288 CO 0.04 0.06 0.47 0.00 -0.69 0.00 0.00 178.15 178.04 3i4k h ALA 289 N 1.18 0.93 -0.29 1.87 0.00 -1.25 -0.91 119.26 120.78 3i4k h ALA 289 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i4k h ALA 289 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3i4k h ALA 289 CO -0.11 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.69 3i4k h ALA 290 N 1.26 0.36 0.04 0.00 0.00 -0.83 0.62 119.26 120.71 3i4k h ALA 290 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i4k h ALA 290 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i4k h ALA 290 CO -0.06 -0.20 -0.02 0.82 0.00 0.00 0.00 179.25 179.80 3i4k h ILE 291 N 0.35 1.19 -0.08 0.00 2.04 -1.16 -1.70 117.51 118.15 3i4k h ILE 291 Ca 0.11 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3i4k h ILE 291 Cb -0.00 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3i4k h ILE 291 CO -0.05 0.18 -0.18 0.00 0.00 0.00 0.00 178.15 178.10 3i4k h ALA 292 N 0.58 -0.16 -0.90 1.87 0.00 -1.07 -2.02 119.26 117.57 3i4k h ALA 292 Ca -0.00 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3i4k h ALA 292 Cb 0.34 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3i4k h ALA 292 CO 0.01 -0.65 0.54 1.49 0.00 0.00 0.00 179.25 180.63 3i4k h GLU 293 N -0.26 0.86 -0.25 0.00 4.81 -0.86 0.33 114.58 119.21 3i4k h GLU 293 Ca 0.08 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3i4k h GLU 293 Cb 0.37 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3i4k h GLU 293 CO -0.23 0.57 -0.18 0.00 -0.73 0.00 0.00 179.01 178.45 3i4k h ALA 294 N 1.48 1.23 -0.25 2.92 0.00 -0.76 -2.35 119.26 121.53 3i4k h ALA 294 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i4k h ALA 294 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i4k h ALA 294 CO -0.25 0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3i4k n GLY 295 N -0.57 0.42 2.16 0.00 0.00 -0.71 -4.90 105.19 101.59 3i4k n GLY 295 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 1.09 0.72 3.69 -0.02 0.00 -0.70 -5.02 105.19 104.96 3i4k n GLY 296 Ca 0.14 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.01 4.19 0.60 0.99 1.43 0.11 -4.98 118.68 120.00 3i4k s LEU 297 Ca 0.00 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.42 3i4k s LEU 297 Cb 0.00 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3i4k s LEU 297 CO 0.00 -0.01 1.14 0.00 0.23 0.00 0.00 176.35 177.71 3i4k s ALA 298 N 0.99 2.57 -0.07 4.21 0.00 -0.75 -3.71 121.76 125.00 3i4k s ALA 298 Ca 0.18 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3i4k s ALA 298 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3i4k s ALA 298 CO 0.07 -1.04 -0.17 0.00 0.00 0.00 0.00 175.76 174.61 3i4k s HIS 300 N -0.31 3.15 -1.28 0.00 5.04 -0.42 -1.74 115.29 119.73 3i4k s HIS 300 Ca 0.02 0.15 -0.19 0.00 -1.54 0.00 0.00 55.06 53.50 3i4k s HIS 300 Cb -0.13 -1.81 0.03 0.00 0.04 0.00 0.00 32.58 30.72 3i4k s HIS 300 CO 0.03 0.42 1.80 0.41 -2.34 0.00 0.00 174.74 175.05 3i4k n GLY 301 N 2.30 2.31 3.85 1.59 0.00 0.51 -1.67 105.19 114.08 3i4k n GLY 301 Ca -0.18 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 3i4k n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4k s ALA 302 N 5.66 2.92 0.07 4.61 0.00 -0.42 -0.78 121.76 133.82 3i4k s ALA 302 Ca 0.57 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.55 3i4k s ALA 302 Cb 0.03 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3i4k s ALA 302 CO 0.09 -0.93 -0.19 -0.08 0.00 0.00 0.00 175.76 174.65 3i4k s THR 303 N -3.14 1.54 -0.27 0.00 -1.32 -1.26 -4.38 115.64 106.81 3i4k s THR 303 Ca 0.56 -1.30 0.12 0.00 -1.21 0.00 0.00 61.69 59.86 3i4k s THR 303 Cb -0.12 -1.38 0.67 0.00 -1.51 0.00 0.00 72.50 70.16 3i4k s THR 303 CO 0.54 0.03 1.65 -1.20 -2.21 0.00 0.00 174.62 173.44 3i4k n SER 304 N 1.52 4.38 -2.95 8.08 7.64 -1.26 -4.88 113.62 126.15 3i4k n SER 304 Ca -0.19 -3.21 -0.13 0.00 1.01 0.00 0.00 58.87 56.35 3i4k n SER 304 Cb 0.54 -0.67 0.07 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.29 -3.86 -4.77 -3.43 4.32 -1.26 -3.04 117.00 104.66 3i4k n LEU 305 Ca 0.33 -0.51 -0.33 0.00 -0.02 0.00 0.00 56.01 55.48 3i4k n LEU 305 Cb 1.19 -2.63 0.06 0.00 -1.62 0.00 0.00 43.42 40.42 3i4k n LEU 305 CO 0.31 0.27 0.73 -1.61 -1.22 0.00 0.00 177.39 175.87 3i4k s GLU 306 N -4.93 2.68 0.00 3.23 8.01 -1.26 -4.93 118.70 121.50 3i4k s GLU 306 Ca 0.06 1.33 0.00 0.00 0.01 0.00 0.00 54.97 56.38 3i4k s GLU 306 Cb -0.01 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.87 3i4k s GLU 306 CO 0.59 -1.33 0.00 0.41 0.01 0.00 0.00 175.26 174.94 3i4k n GLY 307 N -0.70 -0.96 0.35 -1.39 0.00 -1.26 -3.89 105.19 97.34 3i4k n GLY 307 Ca 0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 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 1.21 0.18 1.61 0.13 -1.94 -1.05 132.00 132.13 3i4k h PRO 308 Ca 0.00 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3i4k h PRO 308 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 3i4k h PRO 308 CO 0.00 0.84 -0.09 0.82 -0.23 0.00 0.00 178.00 179.35 3i4k h ILE 309 N 1.22 0.92 -0.92 -3.56 1.08 -1.96 -1.31 117.51 112.99 3i4k h ILE 309 Ca 0.32 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3i4k h ILE 309 Cb -0.06 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 3i4k h ILE 309 CO -0.06 0.11 0.53 1.23 -0.69 0.00 0.00 178.15 179.27 3i4k h GLY 310 N -0.48 1.35 1.48 5.37 0.00 -1.88 -1.32 103.07 107.60 3i4k h GLY 310 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 3i4k h GLY 310 CO 0.04 0.56 -0.12 -0.84 0.00 0.00 0.00 176.54 176.18 3i4k h THR 311 N 1.27 1.25 -0.16 4.70 2.02 -1.16 -1.97 112.91 118.86 3i4k h THR 311 Ca 0.33 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.27 3i4k h THR 311 Cb -0.02 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3i4k h THR 311 CO -0.06 0.37 -0.50 0.00 0.37 0.00 0.00 175.52 175.70 3i4k h ALA 312 N 1.30 0.85 -0.49 6.16 0.00 -0.68 -0.71 119.26 125.69 3i4k h ALA 312 Ca 0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3i4k h ALA 312 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i4k h ALA 312 CO 0.03 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 3i4k h ALA 313 N 1.13 0.84 0.00 0.00 0.00 -0.91 -1.97 119.26 118.35 3i4k h ALA 313 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3i4k h ALA 313 Cb 1.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3i4k h ALA 313 CO 0.09 0.65 -0.52 0.77 0.00 0.00 0.00 179.25 180.23 3i4k h SER 314 N 0.82 0.00 0.60 0.00 0.02 -1.09 -2.64 113.55 111.26 3i4k h SER 314 Ca 0.13 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 3i4k h SER 314 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3i4k h SER 314 CO 0.05 0.52 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.39 3i4k h LEU 315 N 0.00 0.19 -0.86 5.07 3.38 -0.89 -1.12 115.31 121.08 3i4k h LEU 315 Ca -0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3i4k h LEU 315 Cb 1.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3i4k h LEU 315 CO 0.07 0.92 -0.27 1.56 0.09 0.00 0.00 178.44 180.80 3i4k h GLN 316 N 0.09 0.54 -0.02 1.13 1.08 -1.25 0.11 115.11 116.80 3i4k h GLN 316 Ca -0.03 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3i4k h GLN 316 Cb 1.40 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.81 3i4k h GLN 316 CO 0.12 0.76 -0.00 0.35 -0.95 0.00 0.00 178.83 179.11 3i4k h PHE 317 N 0.47 0.04 -0.30 2.96 3.04 -1.26 -2.70 116.94 119.20 3i4k h PHE 317 Ca 0.06 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 3i4k h PHE 317 Cb 0.71 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 3i4k h PHE 317 CO 0.03 0.39 0.15 0.00 -2.02 0.00 0.00 178.31 176.86 3i4k h ALA 318 N 0.64 1.71 0.00 2.41 0.00 -0.98 -0.81 119.26 122.23 3i4k h ALA 318 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i4k h ALA 318 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i4k h ALA 318 CO 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 179.25 179.23 3i4k h ALA 319 N 1.76 1.52 -0.07 0.00 0.00 -0.54 -3.10 119.26 118.83 3i4k h ALA 319 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i4k h ALA 319 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i4k h ALA 319 CO -0.02 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3i4k n SER 320 N -4.17 2.34 -4.11 0.00 3.41 -0.75 0.04 113.62 110.38 3i4k n SER 320 Ca -0.02 -1.66 -0.34 0.00 -0.26 0.00 0.00 58.87 56.59 3i4k n SER 320 Cb 0.32 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.20 2.90 0.42 6.66 2.01 -0.39 -4.80 115.64 121.24 3i4k s THR 321 Ca 0.19 -1.87 0.09 0.00 0.31 0.00 0.00 61.69 60.41 3i4k s THR 321 Cb 0.13 -2.89 0.23 0.00 0.01 0.00 0.00 72.50 69.97 3i4k s THR 321 CO 0.19 -0.44 2.03 0.50 -0.69 0.00 0.00 174.62 176.21 3i4k h LYS 322 N 7.92 0.35 0.00 4.92 3.11 -1.90 -2.11 116.57 128.86 3i4k h LYS 322 Ca -0.14 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 3i4k h LYS 322 Cb 1.05 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 3i4k h LYS 322 CO 0.59 0.30 0.00 0.00 -2.81 0.00 0.00 179.45 177.53 3i4k n ALA 323 N -2.49 1.41 -2.58 5.00 0.00 -1.26 -3.93 120.51 116.65 3i4k n ALA 323 Ca 0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3i4k n ALA 323 Cb 0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.03 3.97 -1.35 0.00 -1.09 -0.79 -2.98 121.20 115.93 3i4k s ILE 324 Ca 0.04 -0.81 0.13 0.00 -2.23 0.00 0.00 60.65 57.78 3i4k s ILE 324 Cb 0.06 -5.04 0.29 0.00 -1.58 0.00 0.00 42.46 36.18 3i4k s ILE 324 CO 0.17 -1.91 1.19 -1.54 -1.23 0.00 0.00 174.94 171.62 3i4k n SER 325 N 8.74 2.81 -2.45 3.58 3.41 -0.80 -4.63 113.62 124.28 3i4k n SER 325 Ca 0.32 -1.85 -0.15 0.00 -0.26 0.00 0.00 58.87 56.93 3i4k n SER 325 Cb 0.51 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.76 2.16 -4.91 7.33 9.36 -0.71 -4.90 117.16 126.25 3i4k n TYR 326 Ca 0.12 -2.41 0.00 0.00 3.32 0.00 0.00 57.90 58.93 3i4k n TYR 326 Cb 0.43 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.87 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 -0.55 0.55 2.58 2.98 0.00 -1.26 -4.59 105.19 104.89 3i4k n GLY 327 Ca 0.26 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3i4k n GLY 327 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i4k n THR 328 N -0.42 0.00 -2.76 2.61 -2.24 -0.45 -0.36 114.28 110.67 3i4k n THR 328 Ca 0.00 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 3i4k n THR 328 Cb 0.00 0.88 0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3i4k n THR 328 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3i4k n GLU 329 N -0.46 1.38 -2.01 -0.78 0.28 0.04 0.33 120.64 119.42 3i4k n GLU 329 Ca 0.02 -3.06 -0.42 0.00 -0.16 0.00 0.00 57.16 53.54 3i4k n GLU 329 Cb 0.46 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.16 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 -0.47 6.65 -0.41 -1.84 4.77 -1.25 -4.42 117.00 120.03 3i4k n LEU 330 Ca 0.05 -4.31 0.05 0.00 -0.03 0.00 0.00 56.01 51.77 3i4k n LEU 330 Cb 0.86 -1.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.40 3i4k n LEU 330 CO 0.03 1.14 0.43 2.22 -1.33 0.00 0.00 177.39 179.88 3i4k n PHE 331 N 5.45 0.05 -0.21 -1.77 1.16 -1.26 -4.82 117.46 116.05 3i4k n PHE 331 Ca 0.47 -0.06 -0.06 0.00 -1.87 0.00 0.00 57.45 55.94 3i4k n PHE 331 Cb 0.39 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.20 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 0.53 -1.73 0.40 4.97 0.00 -1.26 -0.13 105.19 107.97 3i4k n GLY 332 Ca 0.06 0.68 0.28 0.00 0.00 0.00 0.00 46.02 47.05 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 0.24 0.00 1.61 0.11 -1.82 0.16 132.00 132.30 3i4k h PRO 333 Ca 0.08 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3i4k h PRO 333 Cb 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3i4k h PRO 333 CO -0.48 0.16 -0.49 1.96 -0.21 0.00 0.00 178.00 178.94 3i4k h GLN 334 N 0.25 0.00 0.00 1.05 4.20 -0.91 -2.96 115.11 116.75 3i4k h GLN 334 Ca 0.73 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.39 3i4k h GLN 334 Cb 1.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 3i4k h GLN 334 CO -0.46 0.49 -0.27 1.25 -0.67 0.00 0.00 178.83 179.17 3i4k h LEU 335 N 0.00 0.00 -9.82 1.46 5.85 -0.61 -3.44 115.31 108.75 3i4k h LEU 335 Ca -0.00 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.21 3i4k h LEU 335 Cb 0.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.92 3i4k h LEU 335 CO 0.06 0.27 0.46 -0.76 -0.34 0.00 0.00 178.44 178.13 3i4k s LEU 336 N -6.71 4.52 0.23 2.25 1.43 -1.12 -1.99 118.68 117.29 3i4k s LEU 336 Ca 0.01 2.22 0.26 0.00 -1.03 0.00 0.00 54.13 55.59 3i4k s LEU 336 Cb 0.10 -3.69 0.75 0.00 0.03 0.00 0.00 46.19 43.38 3i4k s LEU 336 CO 0.66 -0.16 1.74 0.50 0.23 0.00 0.00 176.35 179.32 3i4k h LYS 337 N 3.70 0.00 -3.55 1.70 3.64 -1.53 -3.42 116.57 117.11 3i4k h LYS 337 Ca -0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 3i4k h LYS 337 Cb 1.21 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3i4k h LYS 337 CO 0.66 0.00 -0.08 0.34 -2.27 0.00 0.00 179.45 178.10 3i4k s ASP 338 N -4.67 -0.13 0.00 4.20 2.15 -1.26 -4.97 116.67 112.00 3i4k s ASP 338 Ca 0.10 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.28 3i4k s ASP 338 Cb 0.12 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 3i4k s ASP 338 CO 0.61 -1.11 0.00 1.07 -0.17 0.00 0.00 175.17 175.57 3i4k n THR 339 N -0.36 0.00 -2.60 1.71 5.66 -1.26 -4.97 114.28 112.46 3i4k n THR 339 Ca -0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 3i4k n THR 339 Cb 0.62 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.50 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 0.00 -1.51 -0.03 1.09 4.11 -1.26 -4.88 117.16 114.68 3i4k n TYR 340 Ca 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 57.90 56.31 3i4k n TYR 340 Cb 0.00 1.26 0.00 0.00 -0.00 0.00 0.00 39.34 40.60 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 -1.25 0.74 0.00 -3.48 0.13 -1.26 -1.07 119.36 113.16 3i4k n ILE 341 Ca -0.17 -0.85 0.00 0.00 -1.10 0.00 0.00 62.75 60.63 3i4k n ILE 341 Cb 0.85 0.64 0.00 0.00 -0.84 0.00 0.00 39.64 40.29 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 -0.37 0.00 -1.63 9.51 0.31 -1.23 -3.73 118.33 121.20 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 0.20 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.26 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 1.25 0.11 5.55 1.11 -1.26 -5.08 119.66 121.33 3i4k s GLN 343 Ca 0.00 0.21 0.10 0.00 0.01 0.00 0.00 55.36 55.68 3i4k s GLN 343 Cb 0.00 -1.86 -0.04 0.00 -1.01 0.00 0.00 33.01 30.10 3i4k s GLN 343 CO 0.00 -2.11 -0.26 -1.21 0.01 0.00 0.00 175.29 171.73 3i4k s GLU 344 N -5.38 1.43 0.49 2.91 2.02 -1.26 -5.03 118.70 113.88 3i4k s GLU 344 Ca 0.64 -1.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 3i4k s GLU 344 Cb -0.13 -1.82 -0.06 0.00 0.10 0.00 0.00 34.13 32.21 3i4k s GLU 344 CO 0.52 0.44 0.90 -0.06 0.02 0.00 0.00 175.26 177.08 3i4k s PHE 345 N -1.02 3.50 -0.42 1.61 0.08 -1.26 -5.04 117.98 115.43 3i4k s PHE 345 Ca 0.12 1.22 -0.06 0.00 0.12 0.00 0.00 56.93 58.33 3i4k s PHE 345 Cb -0.10 -2.61 0.10 0.00 -0.57 0.00 0.00 43.02 39.84 3i4k s PHE 345 CO 0.05 -0.32 0.25 -1.21 -0.10 0.00 0.00 175.22 173.89 3i4k s GLU 346 N -4.23 2.31 -0.39 0.44 2.02 -1.26 -5.04 118.70 112.55 3i4k s GLU 346 Ca 0.54 -1.68 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 3i4k s GLU 346 Cb -0.10 -3.71 0.04 0.00 0.10 0.00 0.00 34.13 30.46 3i4k s GLU 346 CO 0.36 -1.05 0.23 0.71 0.02 0.00 0.00 175.26 175.53 3i4k s TYR 347 N 1.28 3.26 -0.04 1.61 2.02 -1.26 -2.53 117.35 121.69 3i4k s TYR 347 Ca 0.05 -1.04 -0.14 0.00 -0.37 0.00 0.00 57.07 55.58 3i4k s TYR 347 Cb -0.24 -2.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.77 3i4k s TYR 347 CO -0.01 -0.69 0.31 -1.59 -1.57 0.00 0.00 175.55 171.99 3i4k s LYS 348 N 1.54 0.59 -1.51 -0.62 -2.85 -0.46 -4.92 119.74 111.52 3i4k s LYS 348 Ca 0.02 -0.05 -0.13 0.00 -1.00 0.00 0.00 55.97 54.81 3i4k s LYS 348 Cb -0.20 0.27 0.08 0.00 -2.06 0.00 0.00 37.83 35.92 3i4k s LYS 348 CO 0.06 -0.15 0.90 -0.25 0.10 0.00 0.00 175.35 176.01 3i4k n ASP 349 N 1.65 -4.77 -0.12 0.03 8.00 -0.95 -1.34 116.55 119.06 3i4k n ASP 349 Ca -0.20 -0.70 -0.02 0.00 0.71 0.00 0.00 54.79 54.59 3i4k n ASP 349 Cb 0.56 -3.82 -0.01 0.00 -0.02 0.00 0.00 41.12 37.83 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 -1.61 0.49 3.44 0.44 0.00 0.25 -4.81 105.19 103.39 3i4k n GLY 350 Ca 0.03 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3i4k n GLY 350 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i4k s GLN 351 N -1.06 1.90 -0.11 1.61 -0.21 -0.45 -1.06 119.66 120.29 3i4k s GLN 351 Ca 0.00 -2.15 -0.07 0.00 0.02 0.00 0.00 55.36 53.16 3i4k s GLN 351 Cb 0.00 -0.25 0.04 0.00 1.00 0.00 0.00 33.01 33.79 3i4k s GLN 351 CO 0.00 -0.57 0.26 0.54 -2.12 0.00 0.00 175.29 173.41 3i4k s VAL 352 N -3.27 -0.02 0.35 1.09 0.11 -1.01 -1.35 120.40 116.30 3i4k s VAL 352 Ca 0.29 0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.20 3i4k s VAL 352 Cb 0.02 -0.39 -0.10 0.00 -1.53 0.00 0.00 36.38 34.38 3i4k s VAL 352 CO 0.19 0.03 0.89 0.00 -3.33 0.00 0.00 175.10 172.88 3i4k s ALA 353 N 0.75 3.19 0.22 1.54 0.00 -1.05 -2.35 121.76 124.06 3i4k s ALA 353 Ca -0.05 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3i4k s ALA 353 Cb -0.06 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 3i4k s ALA 353 CO -0.05 0.20 1.26 0.42 0.00 0.00 0.00 175.76 177.59 3i4k s ILE 354 N -1.87 3.25 -0.25 0.00 1.09 -0.52 -4.69 121.20 118.21 3i4k s ILE 354 Ca 0.54 1.09 -0.28 0.00 -1.10 0.00 0.00 60.65 60.90 3i4k s ILE 354 Cb -0.13 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 3i4k s ILE 354 CO 0.18 0.19 2.09 -2.84 -0.10 0.00 0.00 174.94 174.46 3i4k s PRO 355 N -0.55 3.21 0.35 2.79 0.02 -1.26 -4.97 135.00 134.59 3i4k s PRO 355 Ca 0.53 1.86 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 3i4k s PRO 355 Cb -0.36 -4.32 -0.10 0.00 0.02 0.00 0.00 34.50 29.75 3i4k s PRO 355 CO 0.40 -2.01 0.91 -0.65 -0.33 0.00 0.00 177.00 175.32 3i4k s GLN 356 N 6.11 4.38 0.00 5.54 -1.52 -1.26 -4.41 119.66 128.50 3i4k s GLN 356 Ca 0.94 1.16 0.00 0.00 -1.95 0.00 0.00 55.36 55.51 3i4k s GLN 356 Cb -0.30 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.93 3i4k s GLN 356 CO 0.35 0.17 0.00 0.41 -0.25 0.00 0.00 175.29 175.97 3i4k n GLY 357 N 0.08 2.71 3.56 3.09 0.00 -1.26 -4.70 105.19 108.68 3i4k n GLY 357 Ca 0.03 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 3i4k n GLY 357 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4k n PRO 358 N -1.09 -1.19 0.00 1.61 -0.04 -1.26 -3.93 135.00 129.09 3i4k n PRO 358 Ca 0.00 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 3i4k n PRO 358 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 3i4k n PRO 358 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i4k n GLY 359 N 0.70 2.40 0.06 0.55 0.00 -0.51 -0.52 105.19 107.87 3i4k n GLY 359 Ca 0.08 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.31 0.00 0.99 7.99 -1.26 -0.56 117.00 124.47 3i4k n LEU 360 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.58 3i4k n LEU 360 Cb 0.00 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 3i4k n LEU 360 CO 0.00 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.05 3i4k n GLY 361 N -0.19 0.76 3.44 -0.72 0.00 0.32 -4.66 105.19 104.14 3i4k n GLY 361 Ca 0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.01 0.11 1.61 0.11 -1.26 -4.49 120.40 114.47 3i4k s VAL 362 Ca 0.00 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 3i4k s VAL 362 Cb 0.00 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3i4k s VAL 362 CO 0.00 0.01 0.16 -1.81 -3.33 0.00 0.00 175.10 170.13 3i4k s ASP 363 N 0.73 5.84 0.38 3.54 1.11 -1.24 -5.05 116.67 121.97 3i4k s ASP 363 Ca -0.04 0.04 -0.13 0.00 0.18 0.00 0.00 52.55 52.61 3i4k s ASP 363 Cb -0.05 -1.64 -0.08 0.00 1.07 0.00 0.00 42.92 42.22 3i4k s ASP 363 CO -0.05 0.12 0.77 0.68 1.18 0.00 0.00 175.17 177.87 3i4k s VAL 364 N -1.58 4.71 0.56 -1.27 -7.23 -1.26 -3.47 120.40 110.86 3i4k s VAL 364 Ca 0.32 0.82 0.07 0.00 -1.81 0.00 0.00 61.98 61.38 3i4k s VAL 364 Cb -0.11 -3.67 0.06 0.00 0.56 0.00 0.00 36.38 33.21 3i4k s VAL 364 CO 0.25 -0.38 0.56 -0.62 -0.31 0.00 0.00 175.10 174.60 3i4k s ASP 365 N -2.75 4.82 0.00 4.85 -1.08 -0.23 -4.78 116.67 117.50 3i4k s ASP 365 Ca 0.53 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 3i4k s ASP 365 Cb -0.10 0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 3i4k s ASP 365 CO 0.25 -1.21 0.00 0.47 0.52 0.00 0.00 175.17 175.20 3i4k n ASP 367 N -1.96 0.00 0.19 -0.34 8.00 -1.26 -1.03 116.55 120.15 3i4k n ASP 367 Ca 0.05 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.60 3i4k n ASP 367 Cb 0.63 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.24 -1.24 1.57 -1.93 0.12 116.57 114.85 3i4k h LYS 368 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3i4k h LYS 368 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3i4k h LYS 368 CO 0.00 0.37 -0.07 0.28 -0.57 0.00 0.00 179.45 179.46 3i4k h VAL 369 N 0.00 1.29 -0.59 0.50 2.07 -1.40 -1.50 116.25 116.62 3i4k h VAL 369 Ca -0.00 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 3i4k h VAL 369 Cb 0.78 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3i4k h VAL 369 CO 0.05 0.34 0.06 0.78 0.02 0.00 0.00 177.57 178.82 3i4k h ASN 370 N 0.21 0.93 -0.75 0.57 -0.26 -1.72 -2.16 115.58 112.40 3i4k h ASN 370 Ca 0.06 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 3i4k h ASN 370 Cb 0.55 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.53 3i4k h ASN 370 CO 0.03 0.95 0.41 0.15 -1.06 0.00 0.00 177.43 177.91 3i4k h PHE 371 N 0.91 1.03 -0.10 1.19 3.57 -0.55 -2.89 116.94 120.10 3i4k h PHE 371 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3i4k h PHE 371 Cb 0.44 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3i4k h PHE 371 CO 0.03 0.73 0.00 0.66 -2.23 0.00 0.00 178.31 177.50 3i4k n TYR 372 N -4.45 0.12 -2.25 0.41 4.01 -0.58 -4.93 117.16 109.48 3i4k n TYR 372 Ca 0.07 -0.06 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 3i4k n TYR 372 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.88 3.09 -2.00 -0.72 2.01 -0.82 -1.79 115.64 113.53 3i4k s THR 373 Ca 0.35 1.03 0.17 0.00 0.31 0.00 0.00 61.69 63.56 3i4k s THR 373 Cb 0.20 -3.66 0.49 0.00 0.01 0.00 0.00 72.50 69.54 3i4k s THR 373 CO 0.30 0.22 1.44 -1.14 -0.69 0.00 0.00 174.62 174.75