#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfy n GLY 62 N 0.00 3.71 3.65 0.55 0.00 -1.26 -4.93 105.19 106.91 3mfy n GLY 62 Ca 0.00 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3mfy n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mfy s GLU 63 N -2.29 3.14 -0.19 1.61 4.04 -1.26 -5.13 118.70 118.63 3mfy s GLU 63 Ca 0.40 -0.42 -0.06 0.00 0.04 0.00 0.00 54.97 54.93 3mfy s GLU 63 Cb 0.30 -2.83 -0.03 0.00 0.02 0.00 0.00 34.13 31.58 3mfy s GLU 63 CO -0.09 0.61 0.03 -1.25 -1.84 0.00 0.00 175.26 172.72 3mfy s PRO 64 N -0.63 3.80 -0.03 -4.83 0.05 -1.26 -4.36 135.00 127.72 3mfy s PRO 64 Ca 0.10 -0.43 -0.05 0.00 0.05 0.00 0.00 61.00 60.67 3mfy s PRO 64 Cb -0.12 -3.15 0.01 0.00 0.05 0.00 0.00 34.50 31.29 3mfy s PRO 64 CO 0.02 0.14 0.12 0.08 0.05 0.00 0.00 177.00 177.42 3mfy s VAL 65 N 0.69 0.02 0.24 -0.36 1.01 -1.25 -5.06 120.40 115.70 3mfy s VAL 65 Ca 0.02 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3mfy s VAL 65 Cb -0.14 -0.24 -0.16 0.00 0.00 0.00 0.00 36.38 35.84 3mfy s VAL 65 CO 0.02 -0.11 0.59 0.52 0.00 0.00 0.00 175.10 176.12 3mfy n VAL 66 N 2.59 1.91 -3.22 2.92 0.31 -1.26 -4.38 118.33 117.20 3mfy n VAL 66 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3mfy n VAL 66 Cb 0.58 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3mfy n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mfy n GLY 67 N 1.85 -1.86 3.04 2.92 0.00 -1.26 -4.94 105.19 104.95 3mfy n GLY 67 Ca 0.16 -1.51 -0.47 0.00 0.00 0.00 0.00 46.02 44.20 3mfy n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mfy n THR 68 N 0.00 1.00 0.00 2.61 -1.04 -1.26 -4.70 114.28 110.89 3mfy n THR 68 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3mfy n THR 68 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3mfy n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mfy n GLY 69 N 1.58 -1.28 3.58 3.41 0.00 -1.18 -4.56 105.19 106.74 3mfy n GLY 69 Ca 0.17 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3mfy n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfy s ALA 70 N -2.78 2.74 -0.46 4.61 0.00 -1.26 -3.77 121.76 120.83 3mfy s ALA 70 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 51.96 51.08 3mfy s ALA 70 Cb 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 23.12 18.87 3mfy s ALA 70 CO 0.00 -3.00 2.25 0.45 0.00 0.00 0.00 175.76 175.46 3mfy n SER 71 N 10.09 1.63 -4.62 0.00 2.88 -1.26 -4.72 113.62 117.62 3mfy n SER 71 Ca 0.15 0.37 -0.43 0.00 -1.33 0.00 0.00 58.87 57.64 3mfy n SER 71 Cb 0.49 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.75 3mfy n SER 71 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3mfy s LEU 72 N 7.60 3.98 0.29 2.46 2.96 -1.26 -4.94 118.68 129.77 3mfy s LEU 72 Ca 1.14 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 3mfy s LEU 72 Cb -0.99 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 42.29 3mfy s LEU 72 CO 0.51 -0.83 0.10 -0.94 -1.32 0.00 0.00 176.35 173.87 3mfy s SER 73 N 1.74 1.62 0.18 3.68 1.04 -1.26 -0.84 113.70 119.87 3mfy s SER 73 Ca 0.41 -1.43 0.08 0.00 0.48 0.00 0.00 55.95 55.48 3mfy s SER 73 Cb -0.12 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3mfy s SER 73 CO 0.16 -0.75 -0.16 0.68 0.98 0.00 0.00 173.24 174.15 3mfy s VAL 74 N -3.59 1.78 -0.17 5.02 -7.23 -0.71 -4.86 120.40 110.65 3mfy s VAL 74 Ca 0.36 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 3mfy s VAL 74 Cb 0.07 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3mfy s VAL 74 CO 0.15 -0.44 0.33 -1.61 -0.31 0.00 0.00 175.10 173.22 3mfy s GLU 75 N -3.15 4.25 -0.34 4.82 2.02 -1.26 -2.73 118.70 122.30 3mfy s GLU 75 Ca 0.18 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.33 3mfy s GLU 75 Cb -0.04 -3.45 0.09 0.00 0.10 0.00 0.00 34.13 30.83 3mfy s GLU 75 CO 0.07 0.17 0.06 -0.51 0.02 0.00 0.00 175.26 175.07 3mfy s LEU 76 N 0.65 4.54 0.00 1.80 1.43 0.58 -4.93 118.68 122.76 3mfy s LEU 76 Ca 0.18 -1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 51.41 3mfy s LEU 76 Cb -0.14 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3mfy s LEU 76 CO 0.05 -0.37 0.07 0.61 0.23 0.00 0.00 176.35 176.94 3mfy n GLY 77 N 4.44 0.45 3.74 -3.19 0.00 -1.26 -1.69 105.19 107.68 3mfy n GLY 77 Ca -0.04 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3mfy n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mfy n PRO 78 N -0.05 1.66 -0.57 1.61 -0.02 -1.26 -3.07 135.00 133.29 3mfy n PRO 78 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3mfy n PRO 78 Cb 0.03 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 3mfy n PRO 78 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3mfy n ARG 79 N -1.10 0.00 -0.23 -0.52 0.00 -1.26 -4.82 116.66 108.73 3mfy n ARG 79 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.88 3mfy n ARG 79 Cb 0.45 -1.44 0.04 0.00 0.00 0.00 0.00 32.46 31.50 3mfy n ARG 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3mfy h LEU 80 N 0.00 0.98 -9.90 6.15 5.85 -1.89 -3.41 115.31 113.09 3mfy h LEU 80 Ca 0.00 -0.22 -0.53 0.00 0.84 0.00 0.00 57.88 57.96 3mfy h LEU 80 Cb 0.00 -0.26 0.09 0.00 0.37 0.00 0.00 40.66 40.87 3mfy h LEU 80 CO 0.00 0.95 0.77 -0.76 -0.34 0.00 0.00 178.44 179.06 3mfy s LEU 81 N -9.59 4.34 0.00 2.25 1.43 -1.26 -2.06 118.68 113.79 3mfy s LEU 81 Ca -0.12 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 3mfy s LEU 81 Cb 0.14 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3mfy s LEU 81 CO 0.83 -0.82 0.00 0.35 0.23 0.00 0.00 176.35 176.94 3mfy n THR 82 N 0.93 0.00 -3.75 5.49 -2.24 -0.22 -4.99 114.28 109.50 3mfy n THR 82 Ca 0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 3mfy n THR 82 Cb 0.39 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 3mfy n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mfy s SER 83 N -2.60 6.47 -0.13 3.42 0.15 -0.87 -4.97 113.70 115.17 3mfy s SER 83 Ca 0.00 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.19 3mfy s SER 83 Cb 0.00 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 3mfy s SER 83 CO 0.00 0.15 -0.17 -0.63 1.20 0.00 0.00 173.24 173.79 3mfy s ILE 84 N -1.49 2.62 0.36 6.45 1.09 -1.26 -1.64 121.20 127.33 3mfy s ILE 84 Ca 0.35 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 59.13 3mfy s ILE 84 Cb -0.13 -2.08 -0.06 0.00 -1.06 0.00 0.00 42.46 39.14 3mfy s ILE 84 CO 0.22 0.53 0.05 -0.31 -0.10 0.00 0.00 174.94 175.34 3mfy s TYR 85 N 0.53 2.04 0.64 3.97 1.51 -0.18 -4.42 117.35 121.43 3mfy s TYR 85 Ca -0.11 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.06 3mfy s TYR 85 Cb -0.16 -1.37 0.11 0.00 -0.11 0.00 0.00 41.96 40.42 3mfy s TYR 85 CO 0.04 0.06 0.89 0.16 -1.11 0.00 0.00 175.55 175.59 3mfy s ASP 86 N -3.55 4.74 0.57 2.29 -4.77 -1.09 0.43 116.67 115.29 3mfy s ASP 86 Ca 0.34 -0.63 0.20 0.00 -3.30 0.00 0.00 52.55 49.15 3mfy s ASP 86 Cb 0.08 0.17 0.68 0.00 -1.09 0.00 0.00 42.92 42.76 3mfy s ASP 86 CO 0.15 -1.59 1.15 0.61 0.70 0.00 0.00 175.17 176.19 3mfy n GLY 87 N -2.52 -0.66 1.04 2.12 0.00 -1.25 -0.86 105.19 103.06 3mfy n GLY 87 Ca 0.15 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.49 3mfy n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mfy n ILE 88 N -2.96 1.38 -3.02 -0.61 -0.00 -1.26 -3.17 119.36 109.72 3mfy n ILE 88 Ca 0.17 -2.45 -0.12 0.00 -0.00 0.00 0.00 62.75 60.35 3mfy n ILE 88 Cb 1.33 0.22 0.06 0.00 -0.00 0.00 0.00 39.64 41.26 3mfy n ILE 88 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 3mfy n GLN 89 N -0.49 -4.50 -4.32 0.38 7.27 -0.04 -4.99 117.38 110.68 3mfy n GLN 89 Ca 0.15 0.63 -0.35 0.00 0.07 0.00 0.00 57.00 57.50 3mfy n GLN 89 Cb 0.87 -4.95 -0.09 0.00 2.41 0.00 0.00 30.24 28.48 3mfy n GLN 89 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3mfy s ARG 90 N -4.89 3.10 0.37 3.69 0.52 -1.26 -4.39 118.95 116.09 3mfy s ARG 90 Ca 0.04 -0.38 0.09 0.00 -0.52 0.00 0.00 55.73 54.95 3mfy s ARG 90 Cb -0.01 -2.85 0.73 0.00 0.52 0.00 0.00 34.95 33.34 3mfy s ARG 90 CO 0.54 0.67 1.89 -1.35 0.02 0.00 0.00 175.30 177.07 3mfy h PRO 91 N 5.28 0.27 0.00 3.54 0.11 -1.82 -2.89 132.00 136.49 3mfy h PRO 91 Ca -0.50 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 3mfy h PRO 91 Cb 1.19 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.29 3mfy h PRO 91 CO 0.56 0.42 -0.02 1.28 -0.21 0.00 0.00 178.00 180.03 3mfy n LEU 92 N -4.25 0.00 0.00 2.35 4.77 -1.26 -4.65 117.00 113.96 3mfy n LEU 92 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3mfy n LEU 92 Cb 0.29 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3mfy n LEU 92 CO 0.38 -1.59 0.00 -0.62 -1.33 0.00 0.00 177.39 174.24 3mfy n GLU 93 N -2.08 3.47 0.00 3.23 4.71 -1.26 -4.69 120.64 124.03 3mfy n GLU 93 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3mfy n GLU 93 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.49 3mfy n GLU 93 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3mfy n VAL 94 N 0.00 0.00 0.00 2.62 0.31 -1.26 -4.94 118.33 115.06 3mfy n VAL 94 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3mfy n VAL 94 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3mfy n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mfy n ILE 95 N 0.00 0.00 -3.68 2.52 3.06 -1.26 -4.87 119.36 115.13 3mfy n ILE 95 Ca 0.00 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.14 3mfy n ILE 95 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 3mfy n ILE 95 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 3mfy s ARG 96 N -2.10 0.54 0.00 9.51 6.06 -1.26 -4.50 118.95 127.20 3mfy s ARG 96 Ca 0.00 0.86 0.00 0.00 -2.50 0.00 0.00 55.73 54.09 3mfy s ARG 96 Cb 0.00 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.14 3mfy s ARG 96 CO 0.00 -0.12 0.00 0.39 -2.50 0.00 0.00 175.30 173.07 3mfy n GLU 97 N 3.72 0.00 -3.63 5.12 1.02 -1.25 -4.56 120.64 121.05 3mfy n GLU 97 Ca -0.19 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.68 3mfy n GLU 97 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.88 3mfy n GLU 97 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3mfy n LYS 98 N -0.04 1.16 -1.71 3.49 0.00 -1.26 -4.65 118.16 115.15 3mfy n LYS 98 Ca 0.00 -3.91 -0.43 0.00 0.00 0.00 0.00 58.31 53.97 3mfy n LYS 98 Cb 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 35.03 33.02 3mfy n LYS 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3mfy n THR 99 N 2.22 0.43 -3.40 3.15 -1.04 -1.26 -4.02 114.28 110.36 3mfy n THR 99 Ca 0.25 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 62.11 3mfy n THR 99 Cb 0.41 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.14 3mfy n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mfy n GLY 100 N 3.06 1.71 0.25 3.41 0.00 -1.14 -4.98 105.19 107.50 3mfy n GLY 100 Ca 0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3mfy n GLY 100 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3mfy h ASP 101 N 0.85 0.73 0.35 1.61 2.03 -1.99 -3.38 116.42 116.62 3mfy h ASP 101 Ca -0.14 -0.28 -0.25 0.00 -0.73 0.00 0.00 57.03 55.63 3mfy h ASP 101 Cb 0.53 -0.20 0.01 0.00 -0.83 0.00 0.00 39.33 38.84 3mfy h ASP 101 CO 0.18 0.97 -1.04 2.19 -1.03 0.00 0.00 179.24 180.51 3mfy h PHE 102 N 0.61 0.66 0.00 4.15 -5.15 -1.94 -3.36 116.94 111.90 3mfy h PHE 102 Ca 0.08 -0.39 0.00 0.00 -0.20 0.00 0.00 57.97 57.46 3mfy h PHE 102 Cb 0.79 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 36.89 3mfy h PHE 102 CO 0.04 1.23 0.00 1.51 -2.00 0.00 0.00 178.31 179.08 3mfy n ILE 103 N -3.72 0.00 -3.63 0.88 3.06 -1.26 -3.10 119.36 111.59 3mfy n ILE 103 Ca -0.08 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.04 3mfy n ILE 103 Cb 0.89 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 41.00 3mfy n ILE 103 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mfy s ALA 104 N -2.00 -1.81 -0.08 1.51 0.00 -1.26 -2.90 121.76 115.23 3mfy s ALA 104 Ca 0.00 2.00 0.05 0.00 0.00 0.00 0.00 51.96 54.01 3mfy s ALA 104 Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 3mfy s ALA 104 CO 0.00 -0.32 -0.24 0.50 0.00 0.00 0.00 175.76 175.69 3mfy s ARG 105 N 0.33 2.76 -0.29 0.00 3.52 -1.26 -4.13 118.95 119.89 3mfy s ARG 105 Ca 0.00 -0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 54.54 3mfy s ARG 105 Cb -0.05 -2.20 0.13 0.00 -1.56 0.00 0.00 34.95 31.27 3mfy s ARG 105 CO 0.00 0.27 0.94 0.20 -0.81 0.00 0.00 175.30 175.90 3mfy s GLY 106 N 0.10 -0.15 -0.02 8.12 0.00 -1.26 -3.92 107.32 110.19 3mfy s GLY 106 Ca -0.11 2.89 -0.01 0.00 0.00 0.00 0.00 44.72 47.48 3mfy s GLY 106 CO 0.06 2.35 0.04 -1.34 0.00 0.00 0.00 173.10 174.22 3mfy s VAL 107 N 1.08 -0.00 0.00 1.40 -7.23 -1.26 -4.96 120.40 109.43 3mfy s VAL 107 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 3mfy s VAL 107 Cb -0.04 -0.07 0.00 0.00 0.56 0.00 0.00 36.38 36.83 3mfy s VAL 107 CO -0.13 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.73 3mfy n THR 108 N 3.08 0.00 -0.21 5.32 5.66 -1.26 -5.02 114.28 121.86 3mfy n THR 108 Ca -0.12 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.90 3mfy n THR 108 Cb 0.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.37 3mfy n THR 108 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mfy n ALA 109 N 0.00 -0.54 -3.23 1.79 0.00 -1.26 -4.90 120.51 112.38 3mfy n ALA 109 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 3mfy n ALA 109 Cb 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 3mfy n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mfy s PRO 110 N -1.42 2.12 0.18 0.00 0.04 -1.26 -5.05 135.00 129.61 3mfy s PRO 110 Ca 0.00 -0.61 -0.10 0.00 0.04 0.00 0.00 61.00 60.33 3mfy s PRO 110 Cb 0.00 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.92 3mfy s PRO 110 CO 0.00 0.14 1.71 0.00 0.04 0.00 0.00 177.00 178.89 3mfy h ALA 111 N 6.68 0.85 -3.42 8.56 0.00 -1.93 -3.43 119.26 126.57 3mfy h ALA 111 Ca -0.28 -0.21 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 3mfy h ALA 111 Cb 1.20 -0.25 -0.28 0.00 0.00 0.00 0.00 17.79 18.45 3mfy h ALA 111 CO 0.47 0.53 -0.80 -0.51 0.00 0.00 0.00 179.25 178.94 3mfy s LEU 112 N -9.63 2.53 0.33 0.00 1.02 -1.26 -4.90 118.68 106.77 3mfy s LEU 112 Ca -0.12 -0.38 -0.29 0.00 0.02 0.00 0.00 54.13 53.35 3mfy s LEU 112 Cb 0.14 -1.54 -0.11 0.00 0.02 0.00 0.00 46.19 44.69 3mfy s LEU 112 CO 0.82 0.18 1.51 -2.16 0.02 0.00 0.00 176.35 176.72 3mfy s PRO 113 N 0.23 4.15 0.00 1.29 0.04 -1.26 -4.91 135.00 134.54 3mfy s PRO 113 Ca -0.11 2.51 0.26 0.00 0.04 0.00 0.00 61.00 63.71 3mfy s PRO 113 Cb -0.16 -3.01 0.72 0.00 0.04 0.00 0.00 34.50 32.09 3mfy s PRO 113 CO 0.06 -0.53 1.54 0.54 0.04 0.00 0.00 177.00 178.66 3mfy n ARG 114 N 1.36 0.99 -0.02 4.56 3.00 -1.26 -4.29 116.66 121.00 3mfy n ARG 114 Ca 0.04 -0.61 -0.05 0.00 -0.01 0.00 0.00 57.85 57.22 3mfy n ARG 114 Cb 0.39 -1.49 -0.13 0.00 0.00 0.00 0.00 32.46 31.24 3mfy n ARG 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3mfy n ASP 115 N -0.47 0.65 -4.72 0.55 5.75 -1.26 -4.61 116.55 112.45 3mfy n ASP 115 Ca 0.13 0.30 -0.42 0.00 -0.01 0.00 0.00 54.79 54.79 3mfy n ASP 115 Cb 0.36 0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 3mfy n ASP 115 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3mfy s LYS 116 N -2.74 4.57 -0.05 0.11 2.20 -1.26 -4.98 119.74 117.60 3mfy s LYS 116 Ca -0.05 1.51 -0.28 0.00 -0.36 0.00 0.00 55.97 56.78 3mfy s LYS 116 Cb 0.08 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3mfy s LYS 116 CO 0.83 -0.02 0.93 0.15 -0.36 0.00 0.00 175.35 176.88 3mfy s LYS 117 N 0.70 4.49 -0.09 4.03 -0.14 -1.26 -4.24 119.74 123.23 3mfy s LYS 117 Ca 0.52 1.30 0.01 0.00 -1.36 0.00 0.00 55.97 56.44 3mfy s LYS 117 Cb -0.24 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.41 3mfy s LYS 117 CO 0.29 -0.11 -0.12 -1.58 -0.76 0.00 0.00 175.35 173.07 3mfy s TRP 118 N 1.28 2.79 -0.46 3.18 0.52 0.37 -4.79 118.94 121.82 3mfy s TRP 118 Ca 0.48 -0.32 -0.28 0.00 0.02 0.00 0.00 56.10 55.99 3mfy s TRP 118 Cb -0.20 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 3mfy s TRP 118 CO 0.23 0.04 1.49 -1.58 0.02 0.00 0.00 176.95 177.16 3mfy s HIS 119 N -0.27 2.24 -0.18 -1.98 5.65 -1.26 -0.32 115.29 119.17 3mfy s HIS 119 Ca 0.02 0.61 -0.13 0.00 0.25 0.00 0.00 55.06 55.81 3mfy s HIS 119 Cb -0.13 -4.30 -0.05 0.00 -1.18 0.00 0.00 32.58 26.92 3mfy s HIS 119 CO 0.03 -2.12 0.27 0.12 -0.65 0.00 0.00 174.74 172.39 3mfy s PHE 120 N 6.06 3.43 -0.20 3.88 2.19 -0.09 -4.07 117.98 129.18 3mfy s PHE 120 Ca 0.61 0.54 -0.01 0.00 0.33 0.00 0.00 56.93 58.40 3mfy s PHE 120 Cb -0.14 -2.34 0.01 0.00 -1.31 0.00 0.00 43.02 39.25 3mfy s PHE 120 CO 0.30 0.20 -0.14 0.42 1.83 0.00 0.00 175.22 177.83 3mfy s ILE 121 N 0.60 2.57 0.46 3.12 1.01 -0.13 -2.85 121.20 125.98 3mfy s ILE 121 Ca 0.15 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 3mfy s ILE 121 Cb -0.13 -2.12 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 3mfy s ILE 121 CO 0.04 0.49 1.17 -2.16 0.00 0.00 0.00 174.94 174.48 3mfy s PRO 122 N 1.36 3.75 -0.02 2.79 0.04 -1.26 -0.40 135.00 141.26 3mfy s PRO 122 Ca 0.05 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.92 3mfy s PRO 122 Cb -0.13 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.05 3mfy s PRO 122 CO -0.09 -0.56 0.88 1.63 0.04 0.00 0.00 177.00 178.90 3mfy n LYS 123 N -0.48 1.32 -4.01 4.56 4.76 0.67 -4.83 118.16 120.15 3mfy n LYS 123 Ca 0.07 -1.33 -0.10 0.00 -2.87 0.00 0.00 58.31 54.09 3mfy n LYS 123 Cb 0.48 -0.87 -0.06 0.00 -1.84 0.00 0.00 35.03 32.74 3mfy n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mfy s ALA 124 N -0.90 0.03 0.21 7.82 0.00 -1.22 -4.82 121.76 122.87 3mfy s ALA 124 Ca 0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3mfy s ALA 124 Cb 0.05 1.05 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 3mfy s ALA 124 CO 0.01 -0.75 0.17 -1.59 0.00 0.00 0.00 175.76 173.59 3mfy s LYS 125 N -4.02 1.24 0.14 0.00 -2.85 -1.26 -5.01 119.74 107.99 3mfy s LYS 125 Ca 0.23 -1.60 -0.31 0.00 -1.00 0.00 0.00 55.97 53.29 3mfy s LYS 125 Cb 0.02 0.29 -0.10 0.00 -2.06 0.00 0.00 37.83 35.98 3mfy s LYS 125 CO 0.06 -0.42 1.67 0.08 0.10 0.00 0.00 175.35 176.85 3mfy s VAL 126 N -4.13 2.58 0.00 1.79 1.01 -1.26 -1.80 120.40 118.58 3mfy s VAL 126 Ca 0.37 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3mfy s VAL 126 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3mfy s VAL 126 CO 0.12 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3mfy n GLY 127 N 3.96 2.98 3.75 4.51 0.00 0.18 -5.02 105.19 115.55 3mfy n GLY 127 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3mfy n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mfy s ASP 128 N -1.37 6.53 0.03 1.61 1.01 -0.74 -4.77 116.67 118.97 3mfy s ASP 128 Ca 0.00 2.81 -0.23 0.00 0.71 0.00 0.00 52.55 55.84 3mfy s ASP 128 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3mfy s ASP 128 CO 0.00 -0.78 0.71 -0.54 0.21 0.00 0.00 175.17 174.76 3mfy s LYS 129 N -0.70 4.43 0.10 8.23 -0.14 -1.26 -1.33 119.74 129.07 3mfy s LYS 129 Ca 0.59 0.95 0.03 0.00 -1.36 0.00 0.00 55.97 56.18 3mfy s LYS 129 Cb -0.44 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 3mfy s LYS 129 CO 0.48 0.33 -0.08 0.14 -0.76 0.00 0.00 175.35 175.45 3mfy s VAL 130 N -0.15 0.83 0.31 3.17 -7.23 -0.16 -4.98 120.40 112.19 3mfy s VAL 130 Ca 0.36 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 3mfy s VAL 130 Cb -0.20 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 3mfy s VAL 130 CO 0.21 -0.68 0.13 0.68 -0.31 0.00 0.00 175.10 175.13 3mfy s VAL 131 N -2.89 0.49 0.52 1.32 -7.23 -1.26 -1.70 120.40 109.65 3mfy s VAL 131 Ca 0.08 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 3mfy s VAL 131 Cb 0.00 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 3mfy s VAL 131 CO -0.02 0.00 1.30 -0.83 -0.31 0.00 0.00 175.10 175.24 3mfy s GLY 132 N -3.40 2.85 0.00 2.32 0.00 -0.48 -2.28 107.32 106.33 3mfy s GLY 132 Ca 0.35 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.28 3mfy s GLY 132 CO 0.16 1.71 0.00 0.61 0.00 0.00 0.00 173.10 175.58 3mfy n GLY 133 N 0.64 2.76 3.78 0.20 0.00 0.60 -2.44 105.19 110.72 3mfy n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3mfy n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mfy s ASP 134 N -2.15 6.37 -0.29 1.61 1.01 -0.97 -4.59 116.67 117.66 3mfy s ASP 134 Ca 0.00 3.03 -0.18 0.00 0.71 0.00 0.00 52.55 56.11 3mfy s ASP 134 Cb 0.00 -2.67 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3mfy s ASP 134 CO 0.00 -0.85 0.51 -0.63 0.21 0.00 0.00 175.17 174.40 3mfy s ILE 135 N -1.08 5.05 -0.78 0.77 1.01 -1.26 -1.10 121.20 123.82 3mfy s ILE 135 Ca 0.53 0.70 0.10 0.00 0.00 0.00 0.00 60.65 61.98 3mfy s ILE 135 Cb -0.46 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3mfy s ILE 135 CO 0.62 -0.01 0.56 2.30 0.00 0.00 0.00 174.94 178.42 3mfy n ILE 136 N 5.25 0.00 -3.71 2.92 -5.35 0.10 -4.65 119.36 113.93 3mfy n ILE 136 Ca -0.04 -0.34 -0.04 0.00 -0.27 0.00 0.00 62.75 62.05 3mfy n ILE 136 Cb 0.50 1.08 -0.01 0.00 -1.74 0.00 0.00 39.64 39.46 3mfy n ILE 136 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mfy s GLY 137 N -1.60 -0.28 0.02 3.28 0.00 -1.16 -0.24 107.32 107.35 3mfy s GLY 137 Ca 0.07 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.11 3mfy s GLY 137 CO 0.32 0.06 -0.12 -0.54 0.00 0.00 0.00 173.10 172.82 3mfy s GLU 138 N -3.24 0.82 -0.08 2.90 2.02 0.46 -0.11 118.70 121.46 3mfy s GLU 138 Ca 0.11 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 3mfy s GLU 138 Cb -0.01 -0.78 0.02 0.00 0.10 0.00 0.00 34.13 33.46 3mfy s GLU 138 CO 0.00 0.20 -0.05 0.08 0.02 0.00 0.00 175.26 175.50 3mfy s VAL 139 N -0.72 0.77 -0.33 2.63 1.01 0.61 -0.95 120.40 123.43 3mfy s VAL 139 Ca 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 3mfy s VAL 139 Cb -0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3mfy s VAL 139 CO 0.01 0.31 1.75 -2.84 0.00 0.00 0.00 175.10 174.33 3mfy s PRO 140 N 1.54 3.39 -0.09 2.72 0.02 -1.26 0.46 135.00 141.79 3mfy s PRO 140 Ca 0.00 1.40 -0.05 0.00 0.02 0.00 0.00 61.00 62.38 3mfy s PRO 140 Cb -0.13 -4.17 -0.02 0.00 0.02 0.00 0.00 34.50 30.20 3mfy s PRO 140 CO -0.05 -1.79 -0.09 1.49 -0.33 0.00 0.00 177.00 176.24 3mfy h GLU 141 N 12.52 0.00 -5.81 5.54 4.81 -1.60 -3.45 114.58 126.59 3mfy h GLU 141 Ca -0.33 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 3mfy h GLU 141 Cb 1.16 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 3mfy h GLU 141 CO 1.03 0.00 -0.33 0.95 -0.73 0.00 0.00 179.01 179.94 3mfy s THR 142 N -1.75 1.52 -1.28 0.32 -4.23 -1.10 -4.96 115.64 104.17 3mfy s THR 142 Ca -0.08 -1.57 0.14 0.00 -1.18 0.00 0.00 61.69 59.00 3mfy s THR 142 Cb 0.01 -2.08 0.19 0.00 1.34 0.00 0.00 72.50 71.96 3mfy s THR 142 CO 0.11 0.00 1.38 -1.54 -0.54 0.00 0.00 174.62 174.04 3mfy n SER 143 N -1.71 0.00 -0.12 3.99 3.41 -1.26 -3.54 113.62 114.39 3mfy n SER 143 Ca -0.05 0.23 -0.21 0.00 -0.26 0.00 0.00 58.87 58.59 3mfy n SER 143 Cb 0.65 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 3mfy n SER 143 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3mfy n ILE 144 N -1.36 1.29 -4.60 -1.33 5.41 -1.26 -5.02 119.36 112.49 3mfy n ILE 144 Ca 0.05 -0.41 -0.33 0.00 1.00 0.00 0.00 62.75 63.06 3mfy n ILE 144 Cb 0.12 -1.57 -0.14 0.00 -0.71 0.00 0.00 39.64 37.35 3mfy n ILE 144 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3mfy s ILE 145 N -2.44 3.19 -0.21 1.39 -1.09 -1.23 -5.06 121.20 115.75 3mfy s ILE 145 Ca -0.32 -0.60 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 3mfy s ILE 145 Cb 0.10 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3mfy s ILE 145 CO 0.46 0.51 0.71 -0.69 -1.23 0.00 0.00 174.94 174.70 3mfy s VAL 146 N 0.51 4.95 -0.12 2.92 1.01 -1.26 -1.45 120.40 126.96 3mfy s VAL 146 Ca -0.07 1.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 3mfy s VAL 146 Cb -0.15 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3mfy s VAL 146 CO 0.04 0.04 0.86 -2.28 0.00 0.00 0.00 175.10 173.76 3mfy s HIS 147 N 2.27 3.49 -0.22 5.22 2.46 0.17 -4.91 115.29 123.77 3mfy s HIS 147 Ca 0.31 1.37 -0.16 0.00 0.47 0.00 0.00 55.06 57.05 3mfy s HIS 147 Cb -0.16 -3.03 -0.04 0.00 -0.13 0.00 0.00 32.58 29.23 3mfy s HIS 147 CO 0.10 -0.16 0.41 0.15 -2.47 0.00 0.00 174.74 172.77 3mfy s LYS 148 N 1.79 4.13 -0.39 2.88 -0.14 -1.26 -0.28 119.74 126.47 3mfy s LYS 148 Ca 0.42 0.19 -0.22 0.00 -1.36 0.00 0.00 55.97 54.99 3mfy s LYS 148 Cb -0.17 -3.57 0.01 0.00 -1.68 0.00 0.00 37.83 32.41 3mfy s LYS 148 CO 0.16 -0.13 0.72 0.42 -0.76 0.00 0.00 175.35 175.76 3mfy s ILE 149 N 1.59 4.77 0.10 2.17 -1.09 0.84 -4.99 121.20 124.58 3mfy s ILE 149 Ca 0.19 0.58 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 3mfy s ILE 149 Cb -0.15 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3mfy s ILE 149 CO 0.08 -0.49 -0.06 -0.04 -1.23 0.00 0.00 174.94 173.21 3mfy s MET 150 N 2.99 2.32 0.18 2.79 -1.94 -1.26 0.03 119.30 124.41 3mfy s MET 150 Ca 0.28 -0.94 -0.31 0.00 -1.71 0.00 0.00 55.69 53.01 3mfy s MET 150 Cb -0.13 -2.41 -0.09 0.00 2.01 0.00 0.00 34.83 34.20 3mfy s MET 150 CO 0.18 0.52 1.45 0.08 -0.01 0.00 0.00 175.02 177.25 3mfy s VAL 151 N -1.25 2.88 0.54 -6.03 1.01 -0.26 -4.88 120.40 112.41 3mfy s VAL 151 Ca 0.23 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.67 3mfy s VAL 151 Cb -0.11 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3mfy s VAL 151 CO 0.15 0.07 1.22 -2.84 0.00 0.00 0.00 175.10 173.70 3mfy s PRO 152 N 0.54 3.26 0.31 2.72 0.02 -1.26 -0.29 135.00 140.30 3mfy s PRO 152 Ca 0.64 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 3mfy s PRO 152 Cb -0.41 -2.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.87 3mfy s PRO 152 CO 0.35 -0.99 1.49 -2.30 -0.33 0.00 0.00 177.00 175.22 3mfy n PRO 153 N -1.15 2.50 -0.03 5.54 -0.02 -1.26 -2.66 135.00 137.91 3mfy n PRO 153 Ca 0.11 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3mfy n PRO 153 Cb 0.48 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3mfy n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mfy n GLY 154 N 1.50 0.36 3.53 -1.23 0.00 -1.26 -5.01 105.19 103.08 3mfy n GLY 154 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3mfy n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mfy s ILE 155 N -2.09 3.98 0.06 -0.61 1.01 -1.09 -5.00 121.20 117.46 3mfy s ILE 155 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 3mfy s ILE 155 Cb 0.00 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.75 3mfy s ILE 155 CO 0.00 0.51 0.26 -1.83 0.00 0.00 0.00 174.94 173.88 3mfy s GLU 156 N 0.17 0.82 0.00 2.79 -1.05 -1.26 -1.38 118.70 118.80 3mfy s GLU 156 Ca -0.01 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 3mfy s GLU 156 Cb -0.14 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 3mfy s GLU 156 CO 0.03 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.38 3mfy n GLY 157 N 0.34 0.62 3.69 -3.83 0.00 -0.69 -3.90 105.19 101.41 3mfy n GLY 157 Ca -0.17 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3mfy n GLY 157 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mfy s GLU 158 N -2.00 3.17 -0.27 1.61 2.12 -0.20 -0.99 118.70 122.13 3mfy s GLU 158 Ca 0.00 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.67 3mfy s GLU 158 Cb 0.00 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 3mfy s GLU 158 CO 0.00 0.65 1.37 0.42 -0.54 0.00 0.00 175.26 177.16 3mfy s ILE 159 N -0.72 4.05 -0.87 -3.70 1.01 -0.45 -0.86 121.20 119.66 3mfy s ILE 159 Ca 0.12 1.19 0.18 0.00 0.00 0.00 0.00 60.65 62.14 3mfy s ILE 159 Cb -0.12 -4.03 -0.19 0.00 0.01 0.00 0.00 42.46 38.13 3mfy s ILE 159 CO 0.02 -0.40 0.77 1.33 0.00 0.00 0.00 174.94 176.67 3mfy n VAL 160 N 6.16 0.00 -3.64 2.92 0.24 -0.84 -0.64 118.33 122.52 3mfy n VAL 160 Ca 0.16 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 3mfy n VAL 160 Cb 0.46 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 3mfy n VAL 160 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3mfy s GLU 161 N -2.69 0.69 -0.02 7.34 2.12 -1.22 -4.94 118.70 119.98 3mfy s GLU 161 Ca 0.07 1.26 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 3mfy s GLU 161 Cb 0.14 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.79 3mfy s GLU 161 CO 0.74 -0.16 0.03 -1.50 -0.54 0.00 0.00 175.26 173.83 3mfy s ILE 162 N 1.83 -0.02 0.66 -3.70 1.10 -1.26 -0.36 121.20 119.44 3mfy s ILE 162 Ca -0.09 0.09 -0.18 0.00 -0.51 0.00 0.00 60.65 59.96 3mfy s ILE 162 Cb -0.06 -0.06 -0.01 0.00 0.15 0.00 0.00 42.46 42.48 3mfy s ILE 162 CO -0.20 0.04 1.23 0.00 -2.11 0.00 0.00 174.94 173.90 3mfy n ALA 163 N 3.54 0.91 -2.02 1.50 0.00 0.60 -4.96 120.51 120.08 3mfy n ALA 163 Ca -0.19 -0.03 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 3mfy n ALA 163 Cb 0.56 -2.29 0.03 0.00 0.00 0.00 0.00 19.45 17.75 3mfy n ALA 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mfy s GLU 164 N -3.34 3.09 -0.07 0.00 2.56 -1.26 -4.63 118.70 115.06 3mfy s GLU 164 Ca 0.81 0.27 -0.36 0.00 0.00 0.00 0.00 54.97 55.70 3mfy s GLU 164 Cb -0.38 -2.18 -0.14 0.00 2.00 0.00 0.00 34.13 33.43 3mfy s GLU 164 CO 0.42 -0.71 1.73 -1.91 -0.56 0.00 0.00 175.26 174.23 3mfy n GLU 165 N -2.69 1.80 -3.47 4.30 2.13 -1.26 -4.84 120.64 116.61 3mfy n GLU 165 Ca 0.05 0.66 -0.00 0.00 0.66 0.00 0.00 57.16 58.52 3mfy n GLU 165 Cb 0.57 -2.42 0.01 0.00 0.27 0.00 0.00 31.44 29.87 3mfy n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mfy n GLY 166 N 3.94 0.52 3.67 8.31 0.00 -1.13 -5.02 105.19 115.48 3mfy n GLY 166 Ca 0.22 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 3mfy n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mfy s ASP 167 N -3.11 5.90 0.02 1.61 1.01 -1.26 -0.91 116.67 119.93 3mfy s ASP 167 Ca 0.21 0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.60 3mfy s ASP 167 Cb -0.01 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 3mfy s ASP 167 CO 0.02 0.16 -0.02 -0.31 0.21 0.00 0.00 175.17 175.22 3mfy s TYR 168 N 0.49 0.28 0.33 4.23 2.02 0.56 -4.81 117.35 120.46 3mfy s TYR 168 Ca 0.06 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 3mfy s TYR 168 Cb -0.12 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.20 3mfy s TYR 168 CO -0.00 -0.21 0.56 0.95 -1.57 0.00 0.00 175.55 175.28 3mfy s THR 169 N -1.69 5.07 -0.10 -0.71 -4.23 -1.26 0.14 115.64 112.85 3mfy s THR 169 Ca -0.14 -0.22 0.30 0.00 -1.18 0.00 0.00 61.69 60.45 3mfy s THR 169 Cb -0.08 -3.81 0.34 0.00 1.34 0.00 0.00 72.50 70.28 3mfy s THR 169 CO -0.02 -0.49 1.89 0.16 -0.54 0.00 0.00 174.62 175.62 3mfy h ILE 170 N 0.94 0.00 0.00 2.99 3.07 -1.82 -1.36 117.51 121.33 3mfy h ILE 170 Ca -0.49 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.54 3mfy h ILE 170 Cb 1.21 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 3mfy h ILE 170 CO 0.63 0.00 -0.02 -0.62 -1.05 0.00 0.00 178.15 177.09 3mfy n GLU 171 N -2.76 0.01 -2.17 0.16 -0.58 -1.26 -4.04 120.64 109.99 3mfy n GLU 171 Ca 0.01 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.35 3mfy n GLU 171 Cb 0.27 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 3mfy n GLU 171 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3mfy s GLU 172 N -3.00 4.39 -0.46 3.49 2.02 -0.52 -4.96 118.70 119.66 3mfy s GLU 172 Ca 0.14 2.14 -0.24 0.00 0.02 0.00 0.00 54.97 57.03 3mfy s GLU 172 Cb 0.19 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.33 3mfy s GLU 172 CO 0.54 -0.18 0.82 0.08 0.02 0.00 0.00 175.26 176.54 3mfy s VAL 173 N -0.75 4.60 -2.09 2.63 1.01 -1.26 -4.20 120.40 120.33 3mfy s VAL 173 Ca 0.51 0.48 0.26 0.00 0.00 0.00 0.00 61.98 63.23 3mfy s VAL 173 Cb -0.38 -4.36 0.25 0.00 0.00 0.00 0.00 36.38 31.89 3mfy s VAL 173 CO 0.47 -0.77 1.46 2.30 0.00 0.00 0.00 175.10 178.57 3mfy n ILE 174 N 6.20 0.00 -3.58 2.22 -6.64 0.46 -4.82 119.36 113.20 3mfy n ILE 174 Ca 0.03 -0.22 -0.05 0.00 -1.77 0.00 0.00 62.75 60.74 3mfy n ILE 174 Cb 0.48 0.73 -0.02 0.00 -1.44 0.00 0.00 39.64 39.39 3mfy n ILE 174 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3mfy s ALA 175 N -2.35 -1.98 -0.02 -1.28 0.00 -1.05 -0.29 121.76 114.80 3mfy s ALA 175 Ca 0.26 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.40 3mfy s ALA 175 Cb 0.19 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3mfy s ALA 175 CO 0.47 -0.73 -0.10 0.15 0.00 0.00 0.00 175.76 175.55 3mfy s LYS 176 N -2.72 1.04 -0.12 0.00 1.02 0.51 0.10 119.74 119.57 3mfy s LYS 176 Ca 0.09 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.75 3mfy s LYS 176 Cb -0.00 -0.96 -0.00 0.00 -0.52 0.00 0.00 37.83 36.34 3mfy s LYS 176 CO -0.05 0.15 -0.20 0.08 -0.92 0.00 0.00 175.35 174.41 3mfy s VAL 177 N 0.10 2.39 -0.41 3.17 1.01 0.21 -1.99 120.40 124.87 3mfy s VAL 177 Ca -0.02 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 3mfy s VAL 177 Cb -0.08 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3mfy s VAL 177 CO 0.00 0.54 0.70 -0.75 0.00 0.00 0.00 175.10 175.60 3mfy s LYS 178 N 0.44 3.48 0.95 2.72 2.20 -0.04 0.34 119.74 129.82 3mfy s LYS 178 Ca -0.14 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.25 3mfy s LYS 178 Cb -0.17 -3.89 0.16 0.00 -1.51 0.00 0.00 37.83 32.42 3mfy s LYS 178 CO 0.06 -0.96 1.10 0.95 -0.36 0.00 0.00 175.35 176.15 3mfy s THR 179 N 2.98 2.20 0.24 3.43 -4.23 -0.07 -1.04 115.64 119.15 3mfy s THR 179 Ca 0.26 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 3mfy s THR 179 Cb -0.13 -2.63 0.20 0.00 1.34 0.00 0.00 72.50 71.28 3mfy s THR 179 CO 0.19 -0.08 1.80 -0.65 -0.54 0.00 0.00 174.62 175.34 3mfy h PRO 180 N -1.71 0.72 -1.35 3.99 0.11 -1.90 0.29 132.00 132.16 3mfy h PRO 180 Ca -0.52 -0.04 0.40 0.00 0.11 0.00 0.00 66.00 65.94 3mfy h PRO 180 Cb 1.32 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3mfy h PRO 180 CO 0.58 0.48 0.94 0.77 -0.21 0.00 0.00 178.00 180.57 3mfy h SER 181 N 0.74 0.11 0.00 -2.05 0.02 -1.95 -3.46 113.55 106.97 3mfy h SER 181 Ca 0.38 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3mfy h SER 181 Cb 0.36 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3mfy h SER 181 CO -0.25 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.03 3mfy n GLY 182 N -1.71 0.29 3.74 -3.77 0.00 0.09 -5.07 105.19 98.76 3mfy n GLY 182 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3mfy n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mfy s GLU 183 N -0.88 4.27 -0.35 1.61 2.12 -1.26 -4.66 118.70 119.54 3mfy s GLU 183 Ca 0.00 2.30 -0.14 0.00 0.36 0.00 0.00 54.97 57.49 3mfy s GLU 183 Cb 0.00 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3mfy s GLU 183 CO 0.00 -0.42 0.28 0.42 -0.54 0.00 0.00 175.26 175.00 3mfy s ILE 184 N 0.00 5.25 -0.17 -3.70 -1.09 -1.26 -0.89 121.20 119.35 3mfy s ILE 184 Ca 0.59 -0.17 -0.07 0.00 -2.23 0.00 0.00 60.65 58.77 3mfy s ILE 184 Cb -0.42 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3mfy s ILE 184 CO 0.43 -0.06 0.07 -0.54 -1.23 0.00 0.00 174.94 173.61 3mfy s LYS 185 N 1.81 3.88 -0.22 2.79 -0.14 0.15 -4.93 119.74 123.07 3mfy s LYS 185 Ca 0.08 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 3mfy s LYS 185 Cb -0.17 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 3mfy s LYS 185 CO 0.11 0.35 0.13 -1.21 -0.76 0.00 0.00 175.35 173.96 3mfy s GLU 186 N 0.16 4.03 -0.08 1.68 2.02 -1.26 0.63 118.70 125.87 3mfy s GLU 186 Ca 0.05 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3mfy s GLU 186 Cb -0.12 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 3mfy s GLU 186 CO 0.00 0.12 -0.07 -0.51 0.02 0.00 0.00 175.26 174.82 3mfy s LEU 187 N 0.87 3.12 0.00 1.80 1.43 0.12 -4.99 118.68 121.02 3mfy s LEU 187 Ca 0.06 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3mfy s LEU 187 Cb -0.13 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3mfy s LEU 187 CO 0.03 0.32 0.30 0.29 0.23 0.00 0.00 176.35 177.52 3mfy n LYS 188 N 2.51 0.91 0.00 1.70 5.02 -1.26 -0.41 118.16 126.63 3mfy n LYS 188 Ca -0.18 -2.44 0.15 0.00 -2.02 0.00 0.00 58.31 53.82 3mfy n LYS 188 Cb 0.53 0.25 0.83 0.00 -0.02 0.00 0.00 35.03 36.62 3mfy n LYS 188 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3mfy n MET 189 N -1.43 0.64 -4.32 1.97 2.81 -1.26 -4.81 117.12 110.73 3mfy n MET 189 Ca -0.01 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 3mfy n MET 189 Cb 0.45 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.35 3mfy n MET 189 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 3mfy s TYR 190 N -2.36 1.54 0.27 2.03 1.13 -1.26 -4.33 117.35 114.37 3mfy s TYR 190 Ca 0.36 -1.03 -0.09 0.00 -1.41 0.00 0.00 57.07 54.90 3mfy s TYR 190 Cb 0.21 -0.91 -0.01 0.00 -1.10 0.00 0.00 41.96 40.15 3mfy s TYR 190 CO 0.43 -0.17 0.44 1.14 -2.51 0.00 0.00 175.55 174.88 3mfy s GLN 191 N -3.93 1.62 0.09 -3.49 -2.07 -0.68 -4.93 119.66 106.25 3mfy s GLN 191 Ca 0.32 -1.44 0.08 0.00 -1.82 0.00 0.00 55.36 52.50 3mfy s GLN 191 Cb 0.07 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.40 3mfy s GLN 191 CO 0.10 -0.66 -0.21 1.03 -1.32 0.00 0.00 175.29 174.24 3mfy s ARG 192 N -3.74 1.19 -0.09 9.60 0.52 -1.26 -0.30 118.95 124.87 3mfy s ARG 192 Ca 0.26 -1.10 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 3mfy s ARG 192 Cb 0.00 -1.42 0.03 0.00 0.52 0.00 0.00 34.95 34.09 3mfy s ARG 192 CO 0.12 0.34 0.22 -0.46 0.02 0.00 0.00 175.30 175.54 3mfy s TRP 193 N -1.07 -0.26 0.11 -0.53 -0.11 -1.11 -4.98 118.94 111.00 3mfy s TRP 193 Ca 0.07 0.64 -0.31 0.00 1.22 0.00 0.00 56.10 57.72 3mfy s TRP 193 Cb -0.10 0.05 -0.09 0.00 -1.50 0.00 0.00 33.47 31.84 3mfy s TRP 193 CO 0.04 -0.16 1.52 -1.25 -4.62 0.00 0.00 176.95 172.47 3mfy s PRO 194 N 0.65 4.25 0.45 5.86 0.04 -1.26 -1.74 135.00 143.25 3mfy s PRO 194 Ca -0.04 2.23 0.22 0.00 0.04 0.00 0.00 61.00 63.44 3mfy s PRO 194 Cb -0.06 -3.32 1.04 0.00 0.04 0.00 0.00 34.50 32.21 3mfy s PRO 194 CO -0.04 -0.58 1.91 -0.39 0.04 0.00 0.00 177.00 177.94 3mfy h VAL 195 N 4.35 0.80 -0.00 -0.36 -1.51 -1.32 -1.82 116.25 116.38 3mfy h VAL 195 Ca -0.42 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 3mfy h VAL 195 Cb 1.20 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 3mfy h VAL 195 CO 0.90 0.24 -0.03 0.54 -1.23 0.00 0.00 177.57 177.99 3mfy n ARG 196 N -3.70 1.04 -4.04 5.19 1.74 -1.26 -4.66 116.66 110.97 3mfy n ARG 196 Ca -0.01 -0.31 -0.35 0.00 -0.77 0.00 0.00 57.85 56.41 3mfy n ARG 196 Cb 0.36 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 3mfy n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mfy s VAL 197 N -2.17 3.75 0.18 1.55 1.01 -0.68 -5.07 120.40 118.97 3mfy s VAL 197 Ca 0.39 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3mfy s VAL 197 Cb 0.21 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 3mfy s VAL 197 CO 0.40 0.42 1.42 -1.59 0.00 0.00 0.00 175.10 175.75 3mfy s LYS 198 N 1.15 4.30 0.30 2.72 -2.85 -1.26 -4.80 119.74 119.31 3mfy s LYS 198 Ca 0.02 2.18 -0.29 0.00 -1.00 0.00 0.00 55.97 56.88 3mfy s LYS 198 Cb -0.14 -3.18 -0.11 0.00 -2.06 0.00 0.00 37.83 32.34 3mfy s LYS 198 CO 0.01 -0.43 1.47 1.03 0.10 0.00 0.00 175.35 177.53 3mfy s ARG 199 N 0.48 4.21 0.76 1.78 0.52 -1.26 -4.97 118.95 120.47 3mfy s ARG 199 Ca 0.63 2.42 -0.11 0.00 -0.52 0.00 0.00 55.73 58.15 3mfy s ARG 199 Cb -0.39 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.08 3mfy s ARG 199 CO 0.35 -0.46 1.08 -1.25 0.02 0.00 0.00 175.30 175.04 3mfy s PRO 200 N -1.04 2.39 0.23 3.54 0.04 -1.26 -5.08 135.00 133.82 3mfy s PRO 200 Ca 0.57 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 3mfy s PRO 200 Cb -0.44 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.19 3mfy s PRO 200 CO 0.51 -1.47 0.60 1.52 0.04 0.00 0.00 177.00 178.20 3mfy s TYR 201 N -3.05 -0.15 0.09 0.56 -0.85 -1.26 -4.53 117.35 108.16 3mfy s TYR 201 Ca 0.60 -0.22 -0.13 0.00 -0.52 0.00 0.00 57.07 56.81 3mfy s TYR 201 Cb -0.15 0.51 -0.19 0.00 0.38 0.00 0.00 41.96 42.51 3mfy s TYR 201 CO 0.55 -1.03 1.24 0.87 -1.52 0.00 0.00 175.55 175.66 3mfy h LYS 202 N 2.10 0.71 -1.69 -3.49 1.57 -1.37 -3.46 116.57 110.94 3mfy h LYS 202 Ca -0.26 -0.69 0.06 0.00 -1.87 0.00 0.00 60.65 57.89 3mfy h LYS 202 Cb 1.26 0.18 -0.25 0.00 0.08 0.00 0.00 32.23 33.50 3mfy h LYS 202 CO 0.32 1.28 0.32 -2.00 -0.57 0.00 0.00 179.45 178.80 3mfy s GLU 203 N -3.47 0.54 -0.35 3.15 2.12 -1.20 -4.99 118.70 114.50 3mfy s GLU 203 Ca -0.10 0.77 -0.22 0.00 0.36 0.00 0.00 54.97 55.79 3mfy s GLU 203 Cb 0.08 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.67 3mfy s GLU 203 CO 0.91 -0.09 0.70 0.21 -0.54 0.00 0.00 175.26 176.46 3mfy s LYS 204 N 0.83 3.76 0.32 4.30 2.47 -1.26 -0.87 119.74 129.28 3mfy s LYS 204 Ca -0.03 0.22 -0.27 0.00 -1.56 0.00 0.00 55.97 54.33 3mfy s LYS 204 Cb -0.05 -3.79 -0.09 0.00 -1.46 0.00 0.00 37.83 32.44 3mfy s LYS 204 CO -0.10 -0.75 1.03 -0.51 0.16 0.00 0.00 175.35 175.17 3mfy s LEU 205 N 2.85 4.38 0.57 5.43 1.43 0.31 -4.99 118.68 128.67 3mfy s LEU 205 Ca 0.28 2.05 -0.21 0.00 -1.03 0.00 0.00 54.13 55.22 3mfy s LEU 205 Cb -0.14 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 3mfy s LEU 205 CO 0.15 -0.20 1.33 -2.84 0.23 0.00 0.00 176.35 175.02 3mfy s PRO 206 N -1.90 3.03 0.23 1.29 0.02 -1.26 -4.57 135.00 131.85 3mfy s PRO 206 Ca 0.50 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 3mfy s PRO 206 Cb -0.25 -2.16 -0.15 0.00 0.02 0.00 0.00 34.50 31.96 3mfy s PRO 206 CO 0.31 -1.25 1.17 -2.30 -0.33 0.00 0.00 177.00 174.61 3mfy n PRO 207 N -1.21 1.45 0.00 5.54 -0.02 -1.26 -4.81 135.00 134.68 3mfy n PRO 207 Ca 0.12 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3mfy n PRO 207 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3mfy n PRO 207 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3mfy n GLU 208 N 1.46 0.00 -4.39 -0.52 2.13 -1.26 -4.76 120.64 113.30 3mfy n GLU 208 Ca 0.12 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.61 3mfy n GLU 208 Cb 0.29 -0.02 -0.12 0.00 0.27 0.00 0.00 31.44 31.86 3mfy n GLU 208 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3mfy s VAL 209 N -1.59 3.93 0.43 6.31 0.11 -1.26 -4.27 120.40 124.06 3mfy s VAL 209 Ca 0.00 -0.34 -0.24 0.00 -2.93 0.00 0.00 61.98 58.46 3mfy s VAL 209 Cb 0.00 -2.72 -0.08 0.00 -1.53 0.00 0.00 36.38 32.05 3mfy s VAL 209 CO 0.00 0.49 1.23 -2.16 -3.33 0.00 0.00 175.10 171.34 3mfy s PRO 210 N 0.35 3.84 -0.55 1.54 0.04 -1.26 0.25 135.00 139.20 3mfy s PRO 210 Ca -0.04 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 3mfy s PRO 210 Cb -0.14 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.85 3mfy s PRO 210 CO 0.03 -0.54 1.12 -1.17 0.04 0.00 0.00 177.00 176.48 3mfy s LEU 211 N -2.73 3.64 -0.26 -3.56 2.96 0.15 -4.36 118.68 114.51 3mfy s LEU 211 Ca 0.60 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 3mfy s LEU 211 Cb -0.34 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3mfy s LEU 211 CO 0.42 -1.37 1.21 -0.63 -1.32 0.00 0.00 176.35 174.66 3mfy s ILE 212 N 4.61 4.33 -0.26 6.68 1.01 -1.26 -4.53 121.20 131.78 3mfy s ILE 212 Ca 0.41 1.55 0.22 0.00 0.00 0.00 0.00 60.65 62.83 3mfy s ILE 212 Cb -0.08 -4.19 -0.30 0.00 0.01 0.00 0.00 42.46 37.89 3mfy s ILE 212 CO 0.25 -0.35 0.60 0.35 0.00 0.00 0.00 174.94 175.80 3mfy n THR 213 N 5.79 0.02 -0.87 2.92 -2.24 -1.26 -1.91 114.28 116.74 3mfy n THR 213 Ca 0.14 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3mfy n THR 213 Cb 0.46 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3mfy n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mfy n GLY 214 N 1.31 0.58 3.61 3.38 0.00 -1.26 -4.34 105.19 108.46 3mfy n GLY 214 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3mfy n GLY 214 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfy s GLN 215 N -0.43 4.02 0.11 1.61 -1.52 -1.26 -0.74 119.66 121.44 3mfy s GLN 215 Ca 0.00 -0.01 -0.22 0.00 -1.95 0.00 0.00 55.36 53.18 3mfy s GLN 215 Cb 0.00 -3.65 -0.08 0.00 -0.22 0.00 0.00 33.01 29.06 3mfy s GLN 215 CO 0.00 -0.24 1.71 0.00 -0.25 0.00 0.00 175.29 176.51 3mfy h ARG 216 N 8.14 -0.06 -0.33 2.91 3.08 -1.89 -1.01 114.38 125.21 3mfy h ARG 216 Ca -0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3mfy h ARG 216 Cb 1.17 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3mfy h ARG 216 CO 0.63 -0.04 0.18 -0.24 -1.07 0.00 0.00 179.97 179.44 3mfy h VAL 217 N -0.07 1.11 0.06 2.04 3.04 -1.82 -0.99 116.25 119.62 3mfy h VAL 217 Ca 0.05 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3mfy h VAL 217 Cb 0.13 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 3mfy h VAL 217 CO -0.11 0.12 -0.03 0.40 -1.01 0.00 0.00 177.57 176.94 3mfy h ILE 218 N 0.46 1.19 0.00 3.17 2.04 -1.68 -2.29 117.51 120.40 3mfy h ILE 218 Ca 0.12 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 3mfy h ILE 218 Cb 0.01 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3mfy h ILE 218 CO -0.02 0.35 -0.36 0.44 0.00 0.00 0.00 178.15 178.56 3mfy h ASP 219 N -0.87 0.00 0.00 1.72 3.32 -1.07 -1.30 116.42 118.22 3mfy h ASP 219 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3mfy h ASP 219 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3mfy h ASP 219 CO 0.01 0.36 -0.75 0.74 -1.72 0.00 0.00 179.24 177.89 3mfy h THR 220 N 0.00 0.45 0.00 0.35 2.02 -1.30 -3.41 112.91 111.03 3mfy h THR 220 Ca -0.00 -1.54 -0.33 0.00 0.77 0.00 0.00 66.41 65.31 3mfy h THR 220 Cb 0.72 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 3mfy h THR 220 CO 0.05 0.15 -2.32 0.49 0.37 0.00 0.00 175.52 174.26 3mfy n PHE 221 N -4.56 0.06 -3.17 3.16 3.01 -0.88 -4.72 117.46 110.37 3mfy n PHE 221 Ca -0.17 0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.09 3mfy n PHE 221 Cb 0.42 -0.97 -0.05 0.00 -0.01 0.00 0.00 39.48 38.88 3mfy n PHE 221 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3mfy n PHE 222 N -2.72 1.28 -2.20 1.38 3.72 -0.62 -4.58 117.46 113.72 3mfy n PHE 222 Ca -0.30 -3.84 -0.34 0.00 -0.05 0.00 0.00 57.45 52.93 3mfy n PHE 222 Cb 1.10 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 3mfy n PHE 222 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3mfy s PRO 223 N -2.35 3.36 -0.12 -1.08 0.04 -0.59 -4.63 135.00 129.63 3mfy s PRO 223 Ca 0.41 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 3mfy s PRO 223 Cb 0.27 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 3mfy s PRO 223 CO -0.09 -0.80 0.06 -1.14 0.04 0.00 0.00 177.00 175.07 3mfy s GLN 224 N -3.58 3.34 0.19 4.56 2.00 -1.26 -4.51 119.66 120.40 3mfy s GLN 224 Ca 0.68 -0.29 -0.14 0.00 -2.00 0.00 0.00 55.36 53.62 3mfy s GLN 224 Cb -0.20 -3.02 -0.07 0.00 0.80 0.00 0.00 33.01 30.52 3mfy s GLN 224 CO 0.30 0.65 0.58 0.00 -0.50 0.00 0.00 175.29 176.32 3mfy s ALA 225 N -0.70 3.53 0.23 1.58 0.00 -1.26 0.32 121.76 125.46 3mfy s ALA 225 Ca 0.12 -0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 3mfy s ALA 225 Cb -0.12 -2.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 3mfy s ALA 225 CO 0.02 0.45 1.67 1.63 0.00 0.00 0.00 175.76 179.53 3mfy n LYS 226 N 0.43 2.70 -0.64 0.00 5.02 0.14 -1.01 118.16 124.80 3mfy n LYS 226 Ca -0.03 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3mfy n LYS 226 Cb 0.52 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 3mfy n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mfy n GLY 227 N 3.36 0.80 3.93 0.72 0.00 -1.25 -4.43 105.19 108.32 3mfy n GLY 227 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3mfy n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfy n GLY 228 N -2.11 0.43 3.08 -0.02 0.00 -0.18 -2.01 105.19 104.39 3mfy n GLY 228 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 3mfy n GLY 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mfy s THR 229 N -3.22 1.59 0.09 2.61 -4.23 -1.26 -1.19 115.64 110.04 3mfy s THR 229 Ca 0.68 -0.71 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 3mfy s THR 229 Cb -0.04 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3mfy s THR 229 CO 0.45 0.46 -0.12 0.00 -0.54 0.00 0.00 174.62 174.87 3mfy s ALA 230 N 0.89 1.17 0.13 3.99 0.00 0.15 -1.66 121.76 126.44 3mfy s ALA 230 Ca -0.08 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.83 3mfy s ALA 230 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3mfy s ALA 230 CO -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 175.76 175.71 3mfy s ALA 231 N -1.85 1.45 -0.54 0.00 0.00 -0.59 -0.66 121.76 119.57 3mfy s ALA 231 Ca 0.02 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3mfy s ALA 231 Cb -0.07 -0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.19 3mfy s ALA 231 CO 0.02 -0.01 0.32 0.42 0.00 0.00 0.00 175.76 176.51 3mfy s ILE 232 N -2.73 2.26 0.86 0.00 1.01 -0.76 -2.01 121.20 119.83 3mfy s ILE 232 Ca 0.12 -3.36 -0.12 0.00 0.00 0.00 0.00 60.65 57.29 3mfy s ILE 232 Cb -0.01 -2.54 0.11 0.00 0.01 0.00 0.00 42.46 40.02 3mfy s ILE 232 CO 0.02 -0.90 1.16 -2.16 0.00 0.00 0.00 174.94 173.06 3mfy s PRO 233 N -0.43 1.57 0.00 2.79 0.04 -1.23 -1.91 135.00 135.83 3mfy s PRO 233 Ca 0.20 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.43 3mfy s PRO 233 Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3mfy s PRO 233 CO -0.06 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.51 3mfy n GLY 234 N -2.81 1.93 3.76 0.56 0.00 -1.21 -1.70 105.19 105.72 3mfy n GLY 234 Ca 0.07 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3mfy n GLY 234 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mfy s PRO 235 N -1.74 4.17 0.86 1.61 0.04 -1.26 -4.57 135.00 134.11 3mfy s PRO 235 Ca 0.00 2.48 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 3mfy s PRO 235 Cb 0.00 -3.03 0.11 0.00 0.04 0.00 0.00 34.50 31.63 3mfy s PRO 235 CO 0.00 -0.51 1.13 0.00 0.04 0.00 0.00 177.00 177.66 3mfy s ALA 236 N -0.51 1.76 0.00 8.56 0.00 -1.26 -4.60 121.76 125.71 3mfy s ALA 236 Ca 0.57 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3mfy s ALA 236 Cb -0.45 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3mfy s ALA 236 CO 0.53 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 174.29 3mfy n GLY 237 N -0.29 0.41 0.25 0.00 0.00 -1.26 -4.88 105.19 99.43 3mfy n GLY 237 Ca 0.11 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.44 3mfy n GLY 237 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mfy h SER 238 N 0.00 -0.05 -0.21 1.61 0.02 -1.98 -0.63 113.55 112.32 3mfy h SER 238 Ca 0.00 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3mfy h SER 238 Cb 0.00 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3mfy h SER 238 CO 0.00 -0.04 -0.50 1.23 -1.14 0.00 0.00 176.83 176.38 3mfy h GLY 239 N 0.24 -0.89 0.95 -3.77 0.00 -1.92 0.46 103.07 98.14 3mfy h GLY 239 Ca 0.37 0.62 -0.03 0.00 0.00 0.00 0.00 47.33 48.30 3mfy h GLY 239 CO -0.49 -0.19 0.17 1.70 0.00 0.00 0.00 176.54 177.73 3mfy h LYS 240 N -0.50 0.66 -0.11 4.80 1.63 -1.68 -1.63 116.57 119.73 3mfy h LYS 240 Ca 0.07 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3mfy h LYS 240 Cb 0.65 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3mfy h LYS 240 CO -0.47 0.61 0.06 1.15 -3.45 0.00 0.00 179.45 177.35 3mfy h THR 241 N 0.56 1.10 -0.18 1.00 2.02 -0.67 0.27 112.91 117.02 3mfy h THR 241 Ca 0.14 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3mfy h THR 241 Cb 0.20 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3mfy h THR 241 CO -0.01 0.09 0.09 0.58 0.37 0.00 0.00 175.52 176.64 3mfy h VAL 242 N 0.06 1.00 -0.18 3.16 2.07 0.09 0.12 116.25 122.57 3mfy h VAL 242 Ca 0.04 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3mfy h VAL 242 Cb 0.10 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3mfy h VAL 242 CO -0.01 0.04 0.02 0.74 0.02 0.00 0.00 177.57 178.38 3mfy h THR 243 N 0.19 0.91 -0.46 2.57 2.02 -1.05 0.35 112.91 117.43 3mfy h THR 243 Ca 0.07 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.31 3mfy h THR 243 Cb 0.01 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 3mfy h THR 243 CO -0.04 0.02 -0.16 -0.61 0.37 0.00 0.00 175.52 175.10 3mfy h GLN 244 N 0.09 -0.05 -0.50 6.66 5.75 -0.17 0.41 115.11 127.31 3mfy h GLN 244 Ca 0.08 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3mfy h GLN 244 Cb 0.08 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3mfy h GLN 244 CO -0.12 -0.03 0.00 1.25 -2.65 0.00 0.00 178.83 177.28 3mfy h HIS 245 N -0.05 0.96 -0.60 3.99 2.76 -0.25 -1.81 115.15 120.13 3mfy h HIS 245 Ca 0.22 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3mfy h HIS 245 Cb 0.39 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 3mfy h HIS 245 CO -0.43 0.90 0.36 1.96 -1.30 0.00 0.00 177.93 179.41 3mfy h GLN 246 N 0.74 0.68 0.01 5.26 1.08 0.23 -2.75 115.11 120.35 3mfy h GLN 246 Ca 0.14 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3mfy h GLN 246 Cb 0.51 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3mfy h GLN 246 CO 0.03 0.45 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.28 3mfy h LEU 247 N 0.70 -0.01 -0.79 1.46 3.38 -0.64 -0.78 115.31 118.63 3mfy h LEU 247 Ca 0.25 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.26 3mfy h LEU 247 Cb 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3mfy h LEU 247 CO -0.12 0.05 0.44 0.00 0.09 0.00 0.00 178.44 178.90 3mfy h ALA 248 N 0.93 1.13 0.00 1.53 0.00 -1.28 -1.21 119.26 120.36 3mfy h ALA 248 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3mfy h ALA 248 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mfy h ALA 248 CO 0.00 0.05 -1.51 0.36 0.00 0.00 0.00 179.25 178.16 3mfy n LYS 249 N -4.78 0.63 -0.05 0.00 2.85 -1.05 -4.43 118.16 111.33 3mfy n LYS 249 Ca 0.13 0.06 -0.01 0.00 -1.05 0.00 0.00 58.31 57.44 3mfy n LYS 249 Cb 0.28 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 32.81 3mfy n LYS 249 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3mfy n TRP 250 N -2.64 0.00 -1.75 5.58 7.02 -0.31 -4.65 117.44 120.69 3mfy n TRP 250 Ca -0.07 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.99 3mfy n TRP 250 Cb 0.70 -0.67 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3mfy n TRP 250 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3mfy n SER 251 N -2.43 3.45 -2.69 -0.99 7.64 -0.47 -4.75 113.62 113.39 3mfy n SER 251 Ca -0.18 1.22 -0.23 0.00 1.01 0.00 0.00 58.87 60.70 3mfy n SER 251 Cb 0.81 -1.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.35 3mfy n SER 251 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3mfy n ASP 252 N 0.61 6.23 -4.77 6.43 5.75 -0.80 -4.75 116.55 125.24 3mfy n ASP 252 Ca 0.03 -2.43 -0.32 0.00 -0.01 0.00 0.00 54.79 52.06 3mfy n ASP 252 Cb 0.38 -1.34 -0.07 0.00 -1.03 0.00 0.00 41.12 39.06 3mfy n ASP 252 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mfy s ALA 253 N 1.91 3.55 -0.05 2.12 0.00 -1.26 -4.87 121.76 123.16 3mfy s ALA 253 Ca 0.60 -0.95 0.13 0.00 0.00 0.00 0.00 51.96 51.75 3mfy s ALA 253 Cb 0.22 -1.49 -0.15 0.00 0.00 0.00 0.00 23.12 21.69 3mfy s ALA 253 CO -0.03 0.72 0.95 1.96 0.00 0.00 0.00 175.76 179.36 3mfy h GLN 254 N 3.72 0.00 -5.40 0.00 7.50 -1.21 -3.47 115.11 116.25 3mfy h GLN 254 Ca -0.48 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.19 3mfy h GLN 254 Cb 1.17 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.44 3mfy h GLN 254 CO 0.64 0.53 -0.81 0.08 -1.50 0.00 0.00 178.83 177.77 3mfy s VAL 255 N -2.77 1.18 -0.08 -0.54 1.01 -1.18 -4.82 120.40 113.20 3mfy s VAL 255 Ca -0.02 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3mfy s VAL 255 Cb 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 3mfy s VAL 255 CO 0.81 0.16 -0.23 -0.69 0.00 0.00 0.00 175.10 175.15 3mfy s VAL 256 N -0.63 2.21 -0.23 2.92 1.01 0.16 -1.09 120.40 124.76 3mfy s VAL 256 Ca 0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3mfy s VAL 256 Cb -0.07 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3mfy s VAL 256 CO 0.01 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 3mfy s ILE 257 N 0.09 3.37 -0.19 2.22 -1.09 0.24 -1.75 121.20 124.08 3mfy s ILE 257 Ca -0.10 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 57.73 3mfy s ILE 257 Cb -0.16 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3mfy s ILE 257 CO 0.06 0.37 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.54 3mfy s TYR 258 N 1.46 2.86 -0.27 3.97 5.04 -0.04 -0.25 117.35 130.11 3mfy s TYR 258 Ca 0.05 -1.29 -0.05 0.00 -2.44 0.00 0.00 57.07 53.34 3mfy s TYR 258 Cb -0.15 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.17 3mfy s TYR 258 CO -0.03 -0.67 0.03 0.42 -1.34 0.00 0.00 175.55 173.96 3mfy s ILE 259 N 1.33 3.64 0.00 3.14 1.01 0.12 -0.77 121.20 129.67 3mfy s ILE 259 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3mfy s ILE 259 Cb -0.14 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3mfy s ILE 259 CO -0.08 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3mfy n GLY 260 N 4.81 -0.75 7.00 6.18 0.00 -0.40 0.49 105.19 122.53 3mfy n GLY 260 Ca -0.16 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3mfy n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfy n GLY 262 N 0.00 2.05 0.09 0.00 0.00 -1.25 -4.39 105.19 101.69 3mfy n GLY 262 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3mfy n GLY 262 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mfy h GLU 263 N 1.61 0.13 0.00 1.61 4.39 -1.87 -3.41 114.58 117.05 3mfy h GLU 263 Ca 0.00 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 3mfy h GLU 263 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3mfy h GLU 263 CO 0.00 1.05 -1.19 0.54 -1.16 0.00 0.00 179.01 178.26 3mfy n ARG 264 N -3.49 0.53 0.00 2.33 1.74 -1.26 -5.02 116.66 111.48 3mfy n ARG 264 Ca -0.04 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3mfy n ARG 264 Cb 0.93 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3mfy n ARG 264 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mfy n GLY 265 N 1.45 3.62 0.27 -0.13 0.00 -1.26 -4.76 105.19 104.37 3mfy n GLY 265 Ca -0.21 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.12 3mfy n GLY 265 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mfy n ASN 266 N 0.00 0.85 -0.04 1.61 5.03 -1.26 -4.53 115.26 116.92 3mfy n ASN 266 Ca 0.00 -1.20 -0.13 0.00 0.87 0.00 0.00 54.58 54.12 3mfy n ASN 266 Cb 0.00 -0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.67 3mfy n ASN 266 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3mfy h GLU 267 N 1.30 0.23 -0.92 3.52 4.81 -1.97 -2.00 114.58 119.56 3mfy h GLU 267 Ca 0.00 -0.14 0.17 0.00 -0.13 0.00 0.00 59.36 59.27 3mfy h GLU 267 Cb 0.31 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.60 3mfy h GLU 267 CO 0.00 0.70 0.51 1.98 -0.73 0.00 0.00 179.01 181.46 3mfy h MET 268 N -0.22 0.64 0.63 1.92 4.05 -1.96 -0.71 114.93 119.29 3mfy h MET 268 Ca 0.01 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3mfy h MET 268 Cb 0.67 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3mfy h MET 268 CO 0.03 0.42 -0.32 1.15 0.23 0.00 0.00 176.91 178.42 3mfy h THR 269 N 0.66 0.35 -0.99 -0.77 2.02 -1.79 -1.09 112.91 111.30 3mfy h THR 269 Ca 0.52 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.75 3mfy h THR 269 Cb 0.80 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3mfy h THR 269 CO -0.39 0.00 0.65 0.44 0.37 0.00 0.00 175.52 176.59 3mfy h ASP 270 N -0.87 1.05 -0.32 4.18 3.32 -0.97 -0.18 116.42 122.64 3mfy h ASP 270 Ca -0.09 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3mfy h ASP 270 Cb 0.68 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3mfy h ASP 270 CO 0.13 0.70 0.14 0.58 -1.72 0.00 0.00 179.24 179.08 3mfy h VAL 271 N 1.21 0.96 0.00 -1.35 2.07 -1.07 0.34 116.25 118.41 3mfy h VAL 271 Ca 0.41 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 3mfy h VAL 271 Cb 0.08 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3mfy h VAL 271 CO -0.14 0.06 -0.14 0.25 0.02 0.00 0.00 177.57 177.61 3mfy h LEU 272 N 0.31 0.00 0.00 2.57 5.85 0.28 -2.91 115.31 121.41 3mfy h LEU 272 Ca 0.14 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.59 3mfy h LEU 272 Cb 0.07 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3mfy h LEU 272 CO -0.11 0.14 -2.00 1.21 -0.34 0.00 0.00 178.44 177.34 3mfy n GLU 273 N -4.19 1.28 -0.10 1.25 4.07 -0.64 -4.76 120.64 117.56 3mfy n GLU 273 Ca -0.02 0.03 -0.17 0.00 -0.06 0.00 0.00 57.16 56.94 3mfy n GLU 273 Cb 0.22 -1.37 -0.13 0.00 -0.06 0.00 0.00 31.44 30.10 3mfy n GLU 273 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3mfy n GLU 274 N -2.69 0.67 -0.03 5.31 4.71 0.12 -4.51 120.64 124.22 3mfy n GLU 274 Ca -0.26 0.14 0.16 0.00 -0.01 0.00 0.00 57.16 57.19 3mfy n GLU 274 Cb 0.93 -1.56 0.61 0.00 -1.01 0.00 0.00 31.44 30.41 3mfy n GLU 274 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 3mfy h PHE 275 N 0.01 0.19 0.00 -0.32 0.04 -1.58 0.32 116.94 115.59 3mfy h PHE 275 Ca -0.54 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.23 3mfy h PHE 275 Cb 1.99 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.08 3mfy h PHE 275 CO 0.03 0.08 0.00 -2.30 -0.60 0.00 0.00 178.31 175.52 3mfy n PRO 276 N -4.43 0.19 0.10 1.51 -0.02 -1.26 -3.27 135.00 127.81 3mfy n PRO 276 Ca 0.09 0.35 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3mfy n PRO 276 Cb 0.49 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 3mfy n PRO 276 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mfy h LYS 277 N 0.00 0.00 -6.88 -0.52 1.79 -0.62 -3.47 116.57 106.88 3mfy h LYS 277 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3mfy h LYS 277 Cb 0.44 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.17 3mfy h LYS 277 CO 0.00 0.02 0.75 -0.51 -1.08 0.00 0.00 179.45 178.63 3mfy s LEU 278 N -5.41 4.37 -0.02 2.94 1.43 -1.14 -4.96 118.68 115.89 3mfy s LEU 278 Ca -0.01 2.87 -0.03 0.00 -1.03 0.00 0.00 54.13 55.93 3mfy s LEU 278 Cb 0.09 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3mfy s LEU 278 CO 0.79 -0.75 0.15 -0.54 0.23 0.00 0.00 176.35 176.24 3mfy s LYS 279 N -1.54 3.35 -0.44 1.70 -0.14 -1.26 -1.92 119.74 119.49 3mfy s LYS 279 Ca 0.54 -0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 54.52 3mfy s LYS 279 Cb -0.44 -3.05 0.02 0.00 -1.68 0.00 0.00 37.83 32.68 3mfy s LYS 279 CO 0.55 0.68 1.30 0.34 -0.76 0.00 0.00 175.35 177.46 3mfy s ASP 280 N -1.80 6.46 0.58 2.83 2.15 0.22 -4.49 116.67 122.61 3mfy s ASP 280 Ca 0.25 0.68 0.28 0.00 0.43 0.00 0.00 52.55 54.18 3mfy s ASP 280 Cb -0.12 -2.54 1.73 0.00 -0.30 0.00 0.00 42.92 41.68 3mfy s ASP 280 CO 0.16 -1.36 2.23 1.55 -0.17 0.00 0.00 175.17 177.59 3mfy h PRO 281 N 10.08 0.00 0.00 4.34 0.13 -1.85 0.48 132.00 145.17 3mfy h PRO 281 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 3mfy h PRO 281 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3mfy h PRO 281 CO 1.10 0.01 -0.42 0.87 -0.23 0.00 0.00 178.00 179.33 3mfy h LYS 282 N 0.00 0.00 0.00 0.86 1.57 -1.91 -3.37 116.57 113.72 3mfy h LYS 282 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mfy h LYS 282 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3mfy h LYS 282 CO 0.00 0.42 -0.71 0.25 -0.57 0.00 0.00 179.45 178.84 3mfy n THR 283 N -3.65 0.00 -0.98 -0.16 -2.24 -0.63 -5.00 114.28 101.62 3mfy n THR 283 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3mfy n THR 283 Cb 0.51 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3mfy n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mfy n GLY 284 N 1.78 0.59 4.00 3.38 0.00 0.16 -5.04 105.19 110.06 3mfy n GLY 284 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3mfy n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfy s LYS 285 N -0.18 2.82 0.03 1.61 -0.14 -1.22 -4.82 119.74 117.84 3mfy s LYS 285 Ca 0.00 -1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 53.06 3mfy s LYS 285 Cb 0.00 -2.74 -0.07 0.00 -1.68 0.00 0.00 37.83 33.34 3mfy s LYS 285 CO 0.00 -0.26 1.56 -2.14 -0.76 0.00 0.00 175.35 173.76 3mfy s PRO 286 N -4.33 4.23 0.46 -1.68 0.02 -1.26 0.71 135.00 133.13 3mfy s PRO 286 Ca 0.54 2.19 0.27 0.00 0.02 0.00 0.00 61.00 64.02 3mfy s PRO 286 Cb -0.10 -3.62 1.32 0.00 0.02 0.00 0.00 34.50 32.12 3mfy s PRO 286 CO 0.33 -0.69 1.76 1.25 -0.33 0.00 0.00 177.00 179.31 3mfy h LEU 287 N 8.63 0.26 -1.96 -5.54 5.85 -1.61 0.42 115.31 121.36 3mfy h LEU 287 Ca -0.41 0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.58 3mfy h LEU 287 Cb 1.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 3mfy h LEU 287 CO 0.92 0.02 0.57 0.00 -0.34 0.00 0.00 178.44 179.61 3mfy h MET 288 N 0.21 0.00 0.00 1.25 -0.00 -1.79 -1.52 114.93 113.08 3mfy h MET 288 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.33 3mfy h MET 288 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.57 3mfy h MET 288 CO -0.21 0.00 0.00 0.39 -0.00 0.00 0.00 176.91 177.09 3mfy n GLU 289 N -4.07 0.69 -0.40 -0.10 1.02 0.14 -2.52 120.64 115.40 3mfy n GLU 289 Ca 0.14 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.29 3mfy n GLU 289 Cb 0.83 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.91 3mfy n GLU 289 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mfy n ARG 290 N -0.86 0.20 -4.17 3.49 1.74 -0.58 -4.36 116.66 112.13 3mfy n ARG 290 Ca 0.12 -1.17 -0.18 0.00 -0.77 0.00 0.00 57.85 55.85 3mfy n ARG 290 Cb 0.05 -0.64 -0.12 0.00 -1.02 0.00 0.00 32.46 30.74 3mfy n ARG 290 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3mfy s THR 291 N -0.39 1.09 -0.04 0.55 2.01 -1.05 -0.66 115.64 117.16 3mfy s THR 291 Ca 0.04 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.73 3mfy s THR 291 Cb 0.04 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.47 3mfy s THR 291 CO 0.00 -0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.93 3mfy s VAL 292 N -1.37 0.63 -0.07 3.82 1.01 -0.72 -1.06 120.40 122.65 3mfy s VAL 292 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3mfy s VAL 292 Cb -0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3mfy s VAL 292 CO 0.02 0.23 -0.07 -1.48 0.00 0.00 0.00 175.10 173.80 3mfy s LEU 293 N 0.59 3.15 -0.22 3.92 2.34 -0.65 -0.86 118.68 126.94 3mfy s LEU 293 Ca -0.08 -0.03 0.02 0.00 0.06 0.00 0.00 54.13 54.09 3mfy s LEU 293 Cb -0.12 -1.68 0.05 0.00 -0.56 0.00 0.00 46.19 43.88 3mfy s LEU 293 CO 0.01 0.36 -0.12 -0.63 -1.06 0.00 0.00 176.35 174.91 3mfy s ILE 294 N -0.79 1.92 -0.15 1.48 1.09 0.05 -1.01 121.20 123.79 3mfy s ILE 294 Ca 0.12 -1.28 -0.18 0.00 -1.10 0.00 0.00 60.65 58.21 3mfy s ILE 294 Cb -0.11 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.27 3mfy s ILE 294 CO 0.01 0.12 0.49 0.00 -0.10 0.00 0.00 174.94 175.46 3mfy s ALA 295 N 1.26 3.50 -0.42 9.38 0.00 0.17 -1.27 121.76 134.37 3mfy s ALA 295 Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3mfy s ALA 295 Cb -0.18 -2.70 0.11 0.00 0.00 0.00 0.00 23.12 20.36 3mfy s ALA 295 CO -0.07 -0.16 0.20 -0.80 0.00 0.00 0.00 175.76 174.93 3mfy s ASN 296 N 0.82 5.09 0.09 0.00 0.01 -0.83 -3.91 114.94 116.20 3mfy s ASN 296 Ca 0.25 -2.20 0.05 0.00 -0.71 0.00 0.00 52.86 50.25 3mfy s ASN 296 Cb -0.15 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 3mfy s ASN 296 CO 0.10 -0.47 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.32 3mfy s THR 297 N 0.88 3.96 0.57 1.60 2.01 -1.26 -3.92 115.64 119.47 3mfy s THR 297 Ca 0.10 -1.00 0.29 0.00 0.31 0.00 0.00 61.69 61.40 3mfy s THR 297 Cb -0.22 -2.87 0.41 0.00 0.01 0.00 0.00 72.50 69.83 3mfy s THR 297 CO -0.05 0.13 1.91 0.77 -0.69 0.00 0.00 174.62 176.70 3mfy h SER 298 N 3.51 0.00 1.31 3.53 4.64 -1.94 -1.64 113.55 122.96 3mfy h SER 298 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3mfy h SER 298 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3mfy h SER 298 CO 0.59 0.00 -0.60 -0.55 -0.87 0.00 0.00 176.83 175.40 3mfy h ASN 299 N 0.00 0.00 -3.81 4.97 -1.07 -1.99 -3.47 115.58 110.21 3mfy h ASN 299 Ca 0.27 -0.03 -0.48 0.00 0.07 0.00 0.00 56.30 56.14 3mfy h ASN 299 Cb 1.28 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.51 3mfy h ASN 299 CO -0.00 0.01 0.31 -0.04 0.07 0.00 0.00 177.43 177.78 3mfy s MET 300 N -3.28 4.59 0.12 4.14 -1.94 -0.62 -4.90 119.30 117.41 3mfy s MET 300 Ca 0.03 1.29 -0.35 0.00 -1.71 0.00 0.00 55.69 54.95 3mfy s MET 300 Cb 0.09 -2.90 -0.16 0.00 2.01 0.00 0.00 34.83 33.86 3mfy s MET 300 CO 0.74 0.34 1.28 -2.30 -0.01 0.00 0.00 175.02 175.07 3mfy n PRO 301 N 0.77 1.17 -0.27 2.03 -0.02 -1.26 -4.88 135.00 132.54 3mfy n PRO 301 Ca 0.00 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3mfy n PRO 301 Cb 0.50 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3mfy n PRO 301 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mfy n VAL 302 N 2.15 -0.37 -0.18 -1.45 0.31 -1.26 -1.60 118.33 115.93 3mfy n VAL 302 Ca 0.17 1.62 -0.01 0.00 -0.01 0.00 0.00 64.34 66.11 3mfy n VAL 302 Cb 0.21 -2.14 0.06 0.00 -0.91 0.00 0.00 33.84 31.07 3mfy n VAL 302 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mfy h ALA 303 N 0.92 0.43 -0.08 3.52 0.00 -1.91 -2.86 119.26 119.29 3mfy h ALA 303 Ca 0.23 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 55.16 3mfy h ALA 303 Cb 0.41 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3mfy h ALA 303 CO -0.68 -0.42 -0.74 0.00 0.00 0.00 0.00 179.25 177.41 3mfy h ALA 304 N 1.53 0.58 0.00 0.00 0.00 -1.63 -2.52 119.26 117.22 3mfy h ALA 304 Ca 0.27 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3mfy h ALA 304 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3mfy h ALA 304 CO -0.53 0.76 -0.31 0.00 0.00 0.00 0.00 179.25 179.16 3mfy h ARG 305 N 0.28 0.00 -0.42 0.00 3.08 -1.41 -1.06 114.38 114.84 3mfy h ARG 305 Ca -0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3mfy h ARG 305 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3mfy h ARG 305 CO 0.13 0.31 0.06 1.49 -1.07 0.00 0.00 179.97 180.89 3mfy h GLU 306 N 0.00 0.65 0.00 0.04 4.22 -1.22 -3.19 114.58 115.08 3mfy h GLU 306 Ca -0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 59.36 59.29 3mfy h GLU 306 Cb 0.59 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3mfy h GLU 306 CO 0.04 0.63 -1.08 0.00 -2.18 0.00 0.00 179.01 176.42 3mfy n ALA 307 N -2.47 2.46 -0.11 2.92 0.00 -0.52 -4.28 120.51 118.53 3mfy n ALA 307 Ca 0.02 -0.28 0.18 0.00 0.00 0.00 0.00 53.44 53.37 3mfy n ALA 307 Cb 0.23 -1.08 0.59 0.00 0.00 0.00 0.00 19.45 19.19 3mfy n ALA 307 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mfy h SER 308 N 0.00 0.22 1.76 0.00 4.64 -1.21 0.73 113.55 119.70 3mfy h SER 308 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mfy h SER 308 Cb 1.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3mfy h SER 308 CO 0.01 0.11 0.00 0.16 -0.87 0.00 0.00 176.83 176.24 3mfy h ILE 309 N 0.24 0.00 0.17 0.95 3.07 -1.79 0.52 117.51 120.67 3mfy h ILE 309 Ca 0.33 -0.82 -0.32 0.00 1.55 0.00 0.00 64.86 65.60 3mfy h ILE 309 Cb 0.97 1.82 0.01 0.00 -0.27 0.00 0.00 36.82 39.34 3mfy h ILE 309 CO -0.07 0.00 -1.56 1.88 -1.05 0.00 0.00 178.15 177.35 3mfy h TYR 310 N 0.00 0.67 -0.20 0.16 0.05 -1.17 -1.38 116.97 115.09 3mfy h TYR 310 Ca 0.00 -0.49 0.05 0.00 0.05 0.00 0.00 58.73 58.34 3mfy h TYR 310 Cb 0.88 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.55 3mfy h TYR 310 CO 0.00 1.61 -0.11 1.15 -1.05 0.00 0.00 178.16 179.76 3mfy h THR 311 N -0.03 0.66 -0.12 -2.88 2.02 -1.27 -0.29 112.91 111.00 3mfy h THR 311 Ca -0.31 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.89 3mfy h THR 311 Cb 1.98 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3mfy h THR 311 CO 0.16 0.00 -0.03 1.23 0.37 0.00 0.00 175.52 177.24 3mfy h GLY 312 N -0.09 0.08 2.00 2.16 0.00 -0.94 -1.94 103.07 104.34 3mfy h GLY 312 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3mfy h GLY 312 CO -0.26 -0.05 -0.24 1.19 0.00 0.00 0.00 176.54 177.18 3mfy h ILE 313 N -0.00 0.53 -0.12 2.60 2.10 -1.03 -1.81 117.51 119.78 3mfy h ILE 313 Ca 0.06 -1.28 -0.06 0.00 1.08 0.00 0.00 64.86 64.66 3mfy h ILE 313 Cb 0.09 1.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.71 3mfy h ILE 313 CO -0.12 0.24 -0.17 0.74 -1.08 0.00 0.00 178.15 177.76 3mfy h THR 314 N 0.00 1.37 -0.83 2.19 2.02 -0.79 -0.21 112.91 116.67 3mfy h THR 314 Ca -0.00 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3mfy h THR 314 Cb 0.87 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 3mfy h THR 314 CO 0.03 0.40 0.42 0.40 0.37 0.00 0.00 175.52 177.14 3mfy h ILE 315 N -0.08 1.25 -0.21 3.11 2.04 -1.24 -1.02 117.51 121.37 3mfy h ILE 315 Ca 0.01 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3mfy h ILE 315 Cb 0.72 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3mfy h ILE 315 CO 0.04 0.29 0.10 0.00 0.00 0.00 0.00 178.15 178.58 3mfy h ALA 316 N 1.22 0.26 -0.71 1.87 0.00 -1.24 -2.49 119.26 118.18 3mfy h ALA 316 Ca 0.29 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3mfy h ALA 316 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3mfy h ALA 316 CO -0.04 -0.18 0.47 0.93 0.00 0.00 0.00 179.25 180.43 3mfy h GLU 317 N 0.20 0.78 -0.67 0.00 5.08 -0.79 0.53 114.58 119.71 3mfy h GLU 317 Ca 0.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3mfy h GLU 317 Cb 0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3mfy h GLU 317 CO -0.01 0.52 0.26 -0.92 -1.00 0.00 0.00 179.01 177.86 3mfy h TYR 318 N 0.81 1.03 -0.16 4.33 3.20 -0.83 0.06 116.97 125.40 3mfy h TYR 318 Ca 0.29 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 3mfy h TYR 318 Cb 0.14 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3mfy h TYR 318 CO -0.00 0.81 -0.50 0.74 -1.64 0.00 0.00 178.16 177.56 3mfy h PHE 319 N 0.95 0.55 -0.44 -3.82 0.04 -0.84 -2.92 116.94 110.46 3mfy h PHE 319 Ca 0.22 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3mfy h PHE 319 Cb 0.22 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3mfy h PHE 319 CO 0.01 0.86 0.19 0.07 -0.60 0.00 0.00 178.31 178.85 3mfy h ARG 320 N 0.35 0.61 0.00 1.51 0.11 -0.59 -2.69 114.38 113.69 3mfy h ARG 320 Ca 0.02 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 3mfy h ARG 320 Cb 1.00 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.96 3mfy h ARG 320 CO 0.09 0.50 -0.07 -0.44 0.10 0.00 0.00 179.97 180.15 3mfy h ASP 321 N 0.62 0.00 0.61 0.08 3.32 -0.79 0.23 116.42 120.49 3mfy h ASP 321 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3mfy h ASP 321 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3mfy h ASP 321 CO -0.02 0.07 0.00 0.23 -1.72 0.00 0.00 179.24 177.80 3mfy n MET 322 N -4.32 0.14 0.00 3.56 2.81 -1.03 -4.82 117.12 113.46 3mfy n MET 322 Ca -0.03 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3mfy n MET 322 Cb 0.15 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 3mfy n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mfy n GLY 323 N 0.70 0.78 3.87 3.03 0.00 0.82 -5.01 105.19 109.38 3mfy n GLY 323 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3mfy n GLY 323 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mfy s TYR 324 N -2.00 3.50 -0.15 1.61 2.02 -1.09 -4.56 117.35 116.68 3mfy s TYR 324 Ca 0.00 1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 57.71 3mfy s TYR 324 Cb 0.00 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 3mfy s TYR 324 CO 0.00 -0.28 0.41 -0.51 -1.57 0.00 0.00 175.55 173.60 3mfy s ASP 325 N -3.37 6.56 0.05 2.29 1.01 -1.26 -2.18 116.67 119.76 3mfy s ASP 325 Ca 0.54 0.66 0.07 0.00 0.71 0.00 0.00 52.55 54.53 3mfy s ASP 325 Cb -0.10 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3mfy s ASP 325 CO 0.36 0.01 -0.21 0.54 0.21 0.00 0.00 175.17 176.08 3mfy s VAL 326 N 0.73 1.65 -0.19 -1.27 0.11 0.32 -0.70 120.40 121.06 3mfy s VAL 326 Ca 0.22 -1.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.03 3mfy s VAL 326 Cb -0.14 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 3mfy s VAL 326 CO 0.08 0.18 -0.07 0.00 -3.33 0.00 0.00 175.10 171.96 3mfy s ALA 327 N -0.82 2.75 -0.33 1.54 0.00 -0.25 -0.54 121.76 124.11 3mfy s ALA 327 Ca 0.07 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3mfy s ALA 327 Cb -0.09 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3mfy s ALA 327 CO 0.02 -0.21 0.19 -1.17 0.00 0.00 0.00 175.76 174.58 3mfy s LEU 328 N 1.11 4.30 -0.14 0.00 2.96 0.35 -0.59 118.68 126.66 3mfy s LEU 328 Ca 0.01 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3mfy s LEU 328 Cb -0.15 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3mfy s LEU 328 CO -0.01 -0.23 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.60 3mfy s MET 329 N 1.64 3.27 -0.09 1.98 -1.94 0.65 -0.83 119.30 123.99 3mfy s MET 329 Ca 0.05 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 3mfy s MET 329 Cb -0.17 -2.61 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3mfy s MET 329 CO 0.08 0.11 -0.17 0.00 -0.01 0.00 0.00 175.02 175.03 3mfy s ALA 330 N 0.59 2.50 -0.42 3.03 0.00 -0.36 0.15 121.76 127.26 3mfy s ALA 330 Ca -0.09 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 50.98 3mfy s ALA 330 Cb -0.16 -1.00 0.21 0.00 0.00 0.00 0.00 23.12 22.17 3mfy s ALA 330 CO 0.03 0.37 0.48 -3.47 0.00 0.00 0.00 175.76 173.17 3mfy n ASP 331 N 3.08 -0.63 -2.71 0.00 2.03 0.18 -0.05 116.55 118.45 3mfy n ASP 331 Ca -0.18 -2.60 -0.01 0.00 0.52 0.00 0.00 54.79 52.52 3mfy n ASP 331 Cb 0.52 -0.24 0.07 0.00 -0.72 0.00 0.00 41.12 40.75 3mfy n ASP 331 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3mfy n SER 332 N 2.21 0.53 0.07 1.67 7.64 -1.26 -3.18 113.62 121.30 3mfy n SER 332 Ca 0.24 -2.08 -0.12 0.00 1.01 0.00 0.00 58.87 57.92 3mfy n SER 332 Cb 0.52 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 3mfy n SER 332 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3mfy h THR 333 N 5.13 0.47 -0.13 0.44 2.02 -1.88 -2.84 112.91 116.12 3mfy h THR 333 Ca -0.25 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.75 3mfy h THR 333 Cb 1.30 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3mfy h THR 333 CO 0.05 0.00 -0.62 0.28 0.37 0.00 0.00 175.52 175.60 3mfy h SER 334 N -0.38 0.77 0.88 4.18 0.02 -1.94 -3.14 113.55 113.94 3mfy h SER 334 Ca 0.05 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3mfy h SER 334 Cb 0.45 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3mfy h SER 334 CO -0.19 1.28 0.00 0.54 -1.14 0.00 0.00 176.83 177.32 3mfy n ARG 335 N -4.10 0.04 -1.69 3.45 5.12 -1.23 -4.80 116.66 113.44 3mfy n ARG 335 Ca -0.08 0.12 -0.43 0.00 -1.93 0.00 0.00 57.85 55.53 3mfy n ARG 335 Cb 0.66 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.39 3mfy n ARG 335 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 3mfy n TRP 336 N -1.63 2.29 -4.95 -1.55 -0.00 -1.07 -4.91 117.44 105.61 3mfy n TRP 336 Ca 0.05 0.47 -0.31 0.00 -0.00 0.00 0.00 57.50 57.72 3mfy n TRP 336 Cb 0.29 -2.45 -0.14 0.00 -0.00 0.00 0.00 31.31 29.01 3mfy n TRP 336 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3mfy s ALA 337 N -0.56 2.44 -0.12 5.87 0.00 -1.26 -5.05 121.76 123.08 3mfy s ALA 337 Ca 0.61 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3mfy s ALA 337 Cb -0.59 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3mfy s ALA 337 CO 0.56 0.55 -0.19 -1.83 0.00 0.00 0.00 175.76 174.84 3mfy s GLU 338 N -0.96 2.67 0.00 0.00 1.03 -1.26 -4.46 118.70 115.71 3mfy s GLU 338 Ca 0.12 -0.73 0.00 0.00 0.03 0.00 0.00 54.97 54.39 3mfy s GLU 338 Cb -0.10 -2.15 0.00 0.00 -0.80 0.00 0.00 34.13 31.07 3mfy s GLU 338 CO 0.02 0.01 0.32 0.00 -1.33 0.00 0.00 175.26 174.28 3mfy n ALA 339 N 3.98 -0.10 -3.69 -0.84 0.00 -1.26 -5.06 120.51 113.55 3mfy n ALA 339 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 3mfy n ALA 339 Cb 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 3mfy n ALA 339 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3mfy s LEU 340 N -2.30 1.39 0.61 0.00 2.96 -1.26 -5.21 118.68 114.88 3mfy s LEU 340 Ca 0.00 -0.28 0.32 0.00 -0.22 0.00 0.00 54.13 53.95 3mfy s LEU 340 Cb 0.00 -0.80 1.89 0.00 0.50 0.00 0.00 46.19 47.78 3mfy s LEU 340 CO 0.00 -0.05 2.22 -0.65 -1.32 0.00 0.00 176.35 176.55 3mfy h PRO 357 N 7.57 0.00 0.00 0.98 0.11 -2.03 -3.50 132.00 135.13 3mfy h PRO 357 Ca -0.31 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 3mfy h PRO 357 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3mfy h PRO 357 CO 0.44 0.00 -1.87 0.00 -0.21 0.00 0.00 178.00 176.36 3mfy n ALA 358 N -2.25 2.17 -0.10 -0.75 0.00 -1.26 -3.69 120.51 114.63 3mfy n ALA 358 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 3mfy n ALA 358 Cb 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 3mfy n ALA 358 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3mfy h TYR 359 N 0.00 0.77 -0.24 0.00 3.20 -1.99 -2.30 116.97 116.40 3mfy h TYR 359 Ca -0.18 -0.21 -0.13 0.00 3.14 0.00 0.00 58.73 61.35 3mfy h TYR 359 Cb 1.27 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3mfy h TYR 359 CO 0.00 0.91 -0.36 1.25 -1.64 0.00 0.00 178.16 178.32 3mfy h LEU 360 N 0.40 0.73 -1.19 2.82 6.46 -1.96 -2.94 115.31 119.63 3mfy h LEU 360 Ca 0.06 -0.52 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 3mfy h LEU 360 Cb 0.74 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3mfy h LEU 360 CO 0.05 1.10 0.35 0.00 -0.62 0.00 0.00 178.44 179.33 3mfy h ALA 361 N 0.65 1.38 0.02 1.25 0.00 -1.63 -1.63 119.26 119.29 3mfy h ALA 361 Ca 0.02 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 3mfy h ALA 361 Cb 0.95 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.49 3mfy h ALA 361 CO 0.08 0.50 -1.06 0.66 0.00 0.00 0.00 179.25 179.44 3mfy h SER 362 N 0.91 0.84 -0.32 0.00 4.64 -1.46 -2.88 113.55 115.29 3mfy h SER 362 Ca 0.23 -0.69 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 3mfy h SER 362 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3mfy h SER 362 CO -0.04 1.49 -0.29 0.11 -0.87 0.00 0.00 176.83 177.23 3mfy h LYS 363 N 0.35 0.77 -0.64 4.77 1.57 -1.35 -0.94 116.57 121.09 3mfy h LYS 363 Ca -0.13 -0.40 0.12 0.00 -1.87 0.00 0.00 60.65 58.37 3mfy h LYS 363 Cb 1.71 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.94 3mfy h LYS 363 CO 0.20 1.02 0.19 -0.07 -0.57 0.00 0.00 179.45 180.23 3mfy h LEU 364 N 0.53 0.12 -0.07 2.94 4.07 -1.42 -2.80 115.31 118.68 3mfy h LEU 364 Ca 0.05 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3mfy h LEU 364 Cb 0.87 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 3mfy h LEU 364 CO 0.07 0.06 -0.07 0.00 -1.08 0.00 0.00 178.44 177.43 3mfy h ALA 365 N 1.49 0.10 0.00 1.53 0.00 -1.22 -1.54 119.26 119.62 3mfy h ALA 365 Ca 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mfy h ALA 365 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mfy h ALA 365 CO -0.38 -0.09 -0.01 0.93 0.00 0.00 0.00 179.25 179.69 3mfy h GLU 366 N -0.26 0.00 0.23 0.00 5.08 -1.22 -0.94 114.58 117.47 3mfy h GLU 366 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3mfy h GLU 366 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3mfy h GLU 366 CO 0.02 0.01 -0.11 0.35 -1.00 0.00 0.00 179.01 178.28 3mfy h PHE 367 N 0.00 -0.28 -0.41 4.33 3.57 -1.31 -3.34 116.94 119.51 3mfy h PHE 367 Ca -0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3mfy h PHE 367 Cb 0.02 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3mfy h PHE 367 CO 0.00 -0.17 0.32 1.88 -2.23 0.00 0.00 178.31 178.10 3mfy h TYR 368 N -0.73 0.00 0.00 0.41 0.05 -1.17 -0.17 116.97 115.36 3mfy h TYR 368 Ca -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3mfy h TYR 368 Cb 0.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3mfy h TYR 368 CO 0.03 0.00 -0.10 1.49 -1.05 0.00 0.00 178.16 178.53 3mfy h GLU 369 N 0.00 0.00 0.00 4.88 4.22 -1.30 -2.75 114.58 119.63 3mfy h GLU 369 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 3mfy h GLU 369 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3mfy h GLU 369 CO -0.00 0.10 -0.29 0.00 -2.18 0.00 0.00 179.01 176.64 3mfy h ARG 370 N 0.00 0.00 -6.81 1.92 3.08 -1.14 -3.46 114.38 107.98 3mfy h ARG 370 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3mfy h ARG 370 Cb 0.42 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.64 3mfy h ARG 370 CO 0.01 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.90 3mfy n ALA 371 N -1.98 -0.32 0.00 0.04 0.00 -1.04 -4.92 120.51 112.29 3mfy n ALA 371 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3mfy n ALA 371 Cb 0.49 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3mfy n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mfy n GLY 372 N 1.34 3.38 3.59 0.00 0.00 -0.80 -4.96 105.19 107.74 3mfy n GLY 372 Ca 0.13 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 3mfy n GLY 372 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mfy s ARG 373 N -2.10 3.88 0.04 1.61 3.52 -1.26 -1.11 118.95 123.53 3mfy s ARG 373 Ca 0.00 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 3mfy s ARG 373 Cb 0.00 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3mfy s ARG 373 CO 0.00 0.24 -0.09 0.14 -0.81 0.00 0.00 175.30 174.78 3mfy s VAL 374 N 0.42 0.66 -0.10 7.11 -7.23 0.62 -0.53 120.40 121.35 3mfy s VAL 374 Ca 0.01 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 3mfy s VAL 374 Cb -0.13 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 3mfy s VAL 374 CO 0.01 -0.24 1.45 -0.69 -0.31 0.00 0.00 175.10 175.32 3mfy s VAL 375 N -1.11 3.93 0.70 1.32 1.01 -0.05 -1.87 120.40 124.33 3mfy s VAL 375 Ca -0.06 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 3mfy s VAL 375 Cb -0.09 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3mfy s VAL 375 CO 0.01 -0.09 1.05 0.42 0.00 0.00 0.00 175.10 176.48 3mfy s THR 376 N 3.68 2.96 0.68 3.92 -4.23 0.61 -1.27 115.64 121.98 3mfy s THR 376 Ca 0.64 0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 61.09 3mfy s THR 376 Cb -0.28 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.31 3mfy s THR 376 CO 0.22 -0.32 1.23 -0.76 -0.54 0.00 0.00 174.62 174.45 3mfy s LEU 377 N -5.29 3.45 0.00 4.79 1.43 -1.26 -4.31 118.68 117.49 3mfy s LEU 377 Ca 0.58 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 3mfy s LEU 377 Cb -0.11 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3mfy s LEU 377 CO 0.48 -2.07 0.00 0.61 0.23 0.00 0.00 176.35 175.60 3mfy n GLY 378 N 0.56 3.59 0.09 -3.19 0.00 -1.02 -4.54 105.19 100.66 3mfy n GLY 378 Ca 0.14 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.61 3mfy n GLY 378 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mfy n SER 379 N 0.00 0.75 -4.82 1.61 3.41 -1.26 -4.77 113.62 108.55 3mfy n SER 379 Ca 0.00 0.19 -0.37 0.00 -0.26 0.00 0.00 58.87 58.43 3mfy n SER 379 Cb 0.00 0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3mfy n SER 379 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3mfy s ASP 380 N -4.83 7.05 0.13 4.04 -4.77 -1.26 -5.04 116.67 111.98 3mfy s ASP 380 Ca 0.02 1.32 -0.31 0.00 -3.30 0.00 0.00 52.55 50.28 3mfy s ASP 380 Cb 0.11 -2.38 -0.10 0.00 -1.09 0.00 0.00 42.92 39.46 3mfy s ASP 380 CO 0.78 0.14 1.76 -0.47 0.70 0.00 0.00 175.17 178.07 3mfy s TYR 381 N -1.35 2.39 -0.17 2.11 5.04 -1.26 -4.94 117.35 119.18 3mfy s TYR 381 Ca 0.37 0.15 -0.22 0.00 -2.44 0.00 0.00 57.07 54.93 3mfy s TYR 381 Cb -0.18 -4.11 0.06 0.00 0.35 0.00 0.00 41.96 38.08 3mfy s TYR 381 CO 0.21 -4.46 0.58 0.50 -1.34 0.00 0.00 175.55 171.04 3mfy s ARG 382 N 2.37 0.76 -0.02 4.97 3.52 -1.26 -5.07 118.95 124.21 3mfy s ARG 382 Ca 0.78 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 3mfy s ARG 382 Cb -0.45 0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 33.30 3mfy s ARG 382 CO 0.34 -0.14 -0.11 0.08 -0.81 0.00 0.00 175.30 174.66 3mfy s VAL 383 N -0.15 0.91 0.18 7.11 1.01 -1.26 -0.28 120.40 127.91 3mfy s VAL 383 Ca -0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3mfy s VAL 383 Cb -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3mfy s VAL 383 CO 0.03 0.27 0.23 -0.83 0.00 0.00 0.00 175.10 174.80 3mfy s GLY 384 N 0.02 0.81 0.04 4.51 0.00 -0.78 -4.36 107.32 107.55 3mfy s GLY 384 Ca -0.01 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.44 3mfy s GLY 384 CO 0.00 -1.05 0.17 -1.35 0.00 0.00 0.00 173.10 170.87 3mfy s SER 385 N -3.03 0.08 -0.20 1.64 1.04 -0.93 -0.28 113.70 112.02 3mfy s SER 385 Ca 0.24 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.26 3mfy s SER 385 Cb 0.04 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.47 3mfy s SER 385 CO 0.04 -0.56 -0.16 -0.69 0.98 0.00 0.00 173.24 172.85 3mfy s VAL 386 N -2.66 2.01 -0.19 5.02 1.01 -0.26 -0.52 120.40 124.81 3mfy s VAL 386 Ca -0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 3mfy s VAL 386 Cb -0.01 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3mfy s VAL 386 CO -0.04 0.36 0.09 -0.44 0.00 0.00 0.00 175.10 175.06 3mfy s SER 387 N 1.27 5.83 -0.26 3.32 0.01 0.30 -1.91 113.70 122.25 3mfy s SER 387 Ca 0.01 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 3mfy s SER 387 Cb -0.15 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 3mfy s SER 387 CO -0.10 0.17 0.23 -0.69 0.41 0.00 0.00 173.24 173.25 3mfy s VAL 388 N 0.42 5.29 -0.28 3.43 1.01 -0.33 -0.49 120.40 129.45 3mfy s VAL 388 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3mfy s VAL 388 Cb -0.12 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.75 3mfy s VAL 388 CO -0.00 0.26 -0.05 -0.63 0.00 0.00 0.00 175.10 174.68 3mfy s ILE 389 N 1.58 2.64 -0.35 2.22 1.01 -0.01 0.33 121.20 128.61 3mfy s ILE 389 Ca 0.09 -1.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.17 3mfy s ILE 389 Cb -0.15 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.83 3mfy s ILE 389 CO 0.09 -0.08 0.12 -0.83 0.00 0.00 0.00 174.94 174.24 3mfy s GLY 390 N 1.19 1.86 0.02 6.18 0.00 0.16 -1.22 107.32 115.51 3mfy s GLY 390 Ca -0.07 -1.78 -0.30 0.00 0.00 0.00 0.00 44.72 42.57 3mfy s GLY 390 CO -0.03 0.79 1.81 0.00 0.00 0.00 0.00 173.10 175.67 3mfy s ALA 391 N 1.41 3.63 -0.26 3.20 0.00 0.93 -1.82 121.76 128.84 3mfy s ALA 391 Ca -0.01 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 3mfy s ALA 391 Cb -0.20 -3.78 0.03 0.00 0.00 0.00 0.00 23.12 19.17 3mfy s ALA 391 CO 0.03 -1.41 -0.04 0.08 0.00 0.00 0.00 175.76 174.42 3mfy s VAL 392 N 3.87 2.92 -0.12 0.00 1.01 -0.81 -4.47 120.40 122.81 3mfy s VAL 392 Ca 0.81 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3mfy s VAL 392 Cb -0.40 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3mfy s VAL 392 CO 0.36 0.11 -0.18 -0.44 0.00 0.00 0.00 175.10 174.95 3mfy s SER 393 N 1.31 2.71 0.21 3.32 0.01 -1.26 -3.34 113.70 116.65 3mfy s SER 393 Ca -0.01 -0.50 -0.32 0.00 1.31 0.00 0.00 55.95 56.42 3mfy s SER 393 Cb -0.18 -1.23 -0.14 0.00 0.21 0.00 0.00 66.02 64.68 3mfy s SER 393 CO -0.03 0.04 1.40 -2.65 0.41 0.00 0.00 173.24 172.40 3mfy n PRO 394 N 4.19 1.88 0.11 12.44 -0.02 -1.26 -4.68 135.00 147.66 3mfy n PRO 394 Ca -0.19 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 3mfy n PRO 394 Cb 0.51 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3mfy n PRO 394 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3mfy h PRO 395 N 4.41 -0.42 -0.87 0.52 0.11 -1.94 -2.53 132.00 131.29 3mfy h PRO 395 Ca -0.45 0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.13 3mfy h PRO 395 Cb 1.28 0.09 -0.30 0.00 0.11 0.00 0.00 31.00 32.19 3mfy h PRO 395 CO 0.77 -0.28 0.39 0.41 -0.21 0.00 0.00 178.00 179.08 3mfy n GLY 396 N -1.36 5.60 2.96 -0.55 0.00 -1.26 -4.83 105.19 105.75 3mfy n GLY 396 Ca -0.06 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3mfy n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfy n GLY 397 N -0.95 0.17 3.58 -0.02 0.00 -0.95 -4.92 105.19 102.09 3mfy n GLY 397 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 3mfy n GLY 397 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mfy s ASP 398 N -2.06 5.94 0.25 1.61 3.68 -1.26 -4.90 116.67 119.92 3mfy s ASP 398 Ca 0.00 0.49 -0.06 0.00 2.13 0.00 0.00 52.55 55.12 3mfy s ASP 398 Cb 0.00 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.38 3mfy s ASP 398 CO 0.00 -1.82 1.39 0.49 0.13 0.00 0.00 175.17 175.36 3mfy n PHE 399 N 10.25 0.36 -0.34 -5.34 3.72 -1.26 -4.67 117.46 120.17 3mfy n PHE 399 Ca 0.16 1.08 -0.17 0.00 -0.05 0.00 0.00 57.45 58.47 3mfy n PHE 399 Cb 0.49 -1.04 0.16 0.00 -0.94 0.00 0.00 39.48 38.15 3mfy n PHE 399 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mfy n SER 400 N -5.43 -2.72 -3.01 4.37 7.64 -1.26 -4.95 113.62 108.26 3mfy n SER 400 Ca 0.15 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.42 3mfy n SER 400 Cb 0.48 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3mfy n SER 400 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3mfy n GLU 401 N -3.91 0.37 -0.07 1.43 0.28 -1.26 -4.55 120.64 112.93 3mfy n GLU 401 Ca 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.95 3mfy n GLU 401 Cb 0.34 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.09 3mfy n GLU 401 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3mfy h PRO 402 N 0.00 0.00 -0.80 3.44 0.11 -1.97 -3.44 132.00 129.34 3mfy h PRO 402 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 3mfy h PRO 402 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 3mfy h PRO 402 CO 0.00 0.88 -0.12 0.28 -0.21 0.00 0.00 178.00 178.83 3mfy n VAL 403 N -4.62 -0.33 0.16 3.15 0.31 -1.26 -0.92 118.33 114.81 3mfy n VAL 403 Ca -0.10 1.80 -0.14 0.00 -0.01 0.00 0.00 64.34 65.88 3mfy n VAL 403 Cb 0.44 -2.54 -0.08 0.00 -0.91 0.00 0.00 33.84 30.74 3mfy n VAL 403 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3mfy h VAL 404 N 0.00 0.77 -0.27 2.52 2.07 -1.85 -3.06 116.25 116.43 3mfy h VAL 404 Ca 0.42 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.51 3mfy h VAL 404 Cb 0.74 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3mfy h VAL 404 CO -0.79 0.06 -0.51 -0.61 0.02 0.00 0.00 177.57 175.73 3mfy h GLN 405 N -0.49 0.82 -0.40 1.57 4.15 -1.33 -2.55 115.11 116.87 3mfy h GLN 405 Ca -0.04 -0.52 -0.04 0.00 0.77 0.00 0.00 58.65 58.82 3mfy h GLN 405 Cb 0.37 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 3mfy h GLN 405 CO 0.06 1.15 0.09 -0.91 -1.93 0.00 0.00 178.83 177.30 3mfy h ASN 406 N 0.58 0.61 -0.84 -0.69 4.21 -1.61 -2.62 115.58 115.21 3mfy h ASN 406 Ca 0.01 -0.24 -0.03 0.00 1.21 0.00 0.00 56.30 57.25 3mfy h ASN 406 Cb 1.12 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.12 3mfy h ASN 406 CO 0.11 0.69 0.39 0.74 -1.29 0.00 0.00 177.43 178.08 3mfy h THR 407 N 0.51 1.26 -0.02 2.81 2.02 -1.51 -1.41 112.91 116.56 3mfy h THR 407 Ca 0.12 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 3mfy h THR 407 Cb 0.32 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3mfy h THR 407 CO 0.00 0.32 -0.25 -0.07 0.37 0.00 0.00 175.52 175.89 3mfy h LEU 408 N 1.21 0.04 -0.70 2.58 3.38 -1.47 -2.08 115.31 118.27 3mfy h LEU 408 Ca 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3mfy h LEU 408 Cb 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3mfy h LEU 408 CO -0.03 0.29 -0.08 -0.09 0.09 0.00 0.00 178.44 178.62 3mfy h ARG 409 N 0.03 0.00 0.03 1.13 2.43 -0.90 -3.35 114.38 113.76 3mfy h ARG 409 Ca 0.00 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.79 3mfy h ARG 409 Cb 0.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3mfy h ARG 409 CO 0.03 0.08 -2.27 0.28 -1.51 0.00 0.00 179.97 176.58 3mfy n VAL 410 N -3.15 1.57 -1.13 0.20 0.31 -0.72 -4.98 118.33 110.43 3mfy n VAL 410 Ca 0.02 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.55 3mfy n VAL 410 Cb 0.45 -1.65 0.13 0.00 -0.91 0.00 0.00 33.84 31.86 3mfy n VAL 410 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3mfy s VAL 411 N -2.51 2.78 -1.28 2.52 -7.23 -0.81 -4.97 120.40 108.90 3mfy s VAL 411 Ca -0.32 0.25 0.15 0.00 -1.81 0.00 0.00 61.98 60.25 3mfy s VAL 411 Cb 0.09 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 3mfy s VAL 411 CO 0.62 -0.33 0.79 0.29 -0.31 0.00 0.00 175.10 176.15 3mfy n LYS 412 N -3.86 1.83 -3.75 4.82 4.76 -0.66 -4.93 118.16 116.37 3mfy n LYS 412 Ca 0.08 -0.67 -0.13 0.00 -2.87 0.00 0.00 58.31 54.72 3mfy n LYS 412 Cb 0.54 -1.23 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 3mfy n LYS 412 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3mfy s VAL 413 N -1.86 -0.04 0.03 -0.18 1.01 -1.04 0.11 120.40 118.43 3mfy s VAL 413 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3mfy s VAL 413 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 3mfy s VAL 413 CO 0.40 0.06 -0.04 0.72 0.00 0.00 0.00 175.10 176.24 3mfy s PHE 414 N 1.06 0.34 -0.48 5.22 -0.12 -0.05 -1.53 117.98 122.42 3mfy s PHE 414 Ca -0.08 -0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 56.20 3mfy s PHE 414 Cb -0.10 -0.24 0.13 0.00 -0.63 0.00 0.00 43.02 42.18 3mfy s PHE 414 CO -0.06 -0.18 0.29 -1.58 -0.05 0.00 0.00 175.22 173.64 3mfy s TRP 415 N -1.59 3.52 -0.68 3.49 0.51 -0.85 -2.12 118.94 121.22 3mfy s TRP 415 Ca -0.14 -2.40 -0.27 0.00 -2.12 0.00 0.00 56.10 51.18 3mfy s TRP 415 Cb -0.09 -3.28 0.04 0.00 -0.81 0.00 0.00 33.47 29.33 3mfy s TRP 415 CO -0.01 -0.95 1.20 0.00 -0.51 0.00 0.00 176.95 176.68 3mfy s ALA 416 N 0.87 2.88 0.30 0.98 0.00 -1.26 -3.49 121.76 122.04 3mfy s ALA 416 Ca 0.10 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 3mfy s ALA 416 Cb -0.23 -4.12 -0.10 0.00 0.00 0.00 0.00 23.12 18.67 3mfy s ALA 416 CO -0.04 -3.02 1.22 -0.51 0.00 0.00 0.00 175.76 173.42 3mfy s LEU 417 N 5.23 4.48 -0.05 0.00 1.02 -0.69 -0.96 118.68 127.71 3mfy s LEU 417 Ca 0.35 2.49 -0.02 0.00 0.02 0.00 0.00 54.13 56.98 3mfy s LEU 417 Cb -0.09 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.51 3mfy s LEU 417 CO 0.17 -0.37 0.04 -0.62 0.02 0.00 0.00 176.35 175.58 3mfy s ASP 418 N -0.58 1.31 0.40 2.29 -1.08 0.10 -4.23 116.67 114.88 3mfy s ASP 418 Ca 0.48 0.02 0.19 0.00 -0.52 0.00 0.00 52.55 52.72 3mfy s ASP 418 Cb -0.36 -0.26 0.83 0.00 -1.46 0.00 0.00 42.92 41.67 3mfy s ASP 418 CO 0.47 -0.23 1.81 0.00 0.52 0.00 0.00 175.17 177.74 3mfy h ALA 419 N 8.39 1.11 -0.04 3.66 0.00 -1.95 -2.38 119.26 128.05 3mfy h ALA 419 Ca -0.15 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3mfy h ALA 419 Cb 1.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3mfy h ALA 419 CO 0.19 0.41 -0.69 0.22 0.00 0.00 0.00 179.25 179.39 3mfy h ASP 420 N 0.00 0.23 -0.36 0.00 3.58 -1.96 -1.86 116.42 116.05 3mfy h ASP 420 Ca -0.00 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 3mfy h ASP 420 Cb 0.75 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 3mfy h ASP 420 CO 0.04 0.84 -0.15 -0.07 -2.88 0.00 0.00 179.24 177.03 3mfy h LEU 421 N 0.13 0.76 -0.64 2.28 4.07 -1.80 -1.20 115.31 118.92 3mfy h LEU 421 Ca -0.02 -0.39 0.09 0.00 0.08 0.00 0.00 57.88 57.63 3mfy h LEU 421 Cb 1.23 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 3mfy h LEU 421 CO 0.10 0.98 0.29 0.00 -1.08 0.00 0.00 178.44 178.73 3mfy h ALA 422 N 0.80 0.85 0.00 1.53 0.00 -1.39 0.13 119.26 121.19 3mfy h ALA 422 Ca 0.08 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3mfy h ALA 422 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3mfy h ALA 422 CO 0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 179.25 178.92 3mfy h ARG 423 N 0.50 0.00 -0.08 0.00 3.08 -1.22 0.36 114.38 117.02 3mfy h ARG 423 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3mfy h ARG 423 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3mfy h ARG 423 CO -0.27 0.26 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 3mfy n ARG 424 N -3.56 1.33 -3.43 0.04 1.74 -0.46 -4.91 116.66 107.40 3mfy n ARG 424 Ca -0.01 -0.49 -0.23 0.00 -0.77 0.00 0.00 57.85 56.35 3mfy n ARG 424 Cb 0.41 -1.32 0.07 0.00 -1.02 0.00 0.00 32.46 30.60 3mfy n ARG 424 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mfy n ARG 425 N -0.28 -7.11 -3.41 5.56 5.12 0.13 -4.97 116.66 111.70 3mfy n ARG 425 Ca 0.14 0.84 -0.43 0.00 -1.93 0.00 0.00 57.85 56.47 3mfy n ARG 425 Cb 0.18 -5.82 -0.09 0.00 -1.16 0.00 0.00 32.46 25.57 3mfy n ARG 425 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3mfy s HIS 426 N -3.28 3.22 -0.01 -1.55 2.46 0.38 -5.00 115.29 111.50 3mfy s HIS 426 Ca 0.51 -0.58 0.06 0.00 0.47 0.00 0.00 55.06 55.51 3mfy s HIS 426 Cb -0.22 -2.76 -0.01 0.00 -0.13 0.00 0.00 32.58 29.45 3mfy s HIS 426 CO 0.63 -0.65 -0.18 -0.06 -2.47 0.00 0.00 174.74 172.00 3mfy s PHE 427 N 1.80 1.62 0.60 3.88 0.40 -1.26 -3.02 117.98 122.00 3mfy s PHE 427 Ca 0.07 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 55.91 3mfy s PHE 427 Cb -0.19 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 3mfy s PHE 427 CO 0.10 -0.03 1.18 -1.25 0.70 0.00 0.00 175.22 175.92 3mfy s PRO 428 N -0.43 2.96 -0.26 0.24 0.04 -1.25 -0.87 135.00 135.42 3mfy s PRO 428 Ca 0.07 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 3mfy s PRO 428 Cb -0.07 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3mfy s PRO 428 CO -0.01 -1.19 2.75 0.00 0.04 0.00 0.00 177.00 178.60 3mfy n ALA 429 N -1.74 5.89 -2.60 8.56 0.00 -1.17 -4.88 120.51 124.58 3mfy n ALA 429 Ca 0.13 -2.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 3mfy n ALA 429 Cb 0.50 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 3mfy n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mfy s ILE 430 N -1.18 4.77 -0.17 0.00 1.01 -1.26 -0.72 121.20 123.65 3mfy s ILE 430 Ca 0.49 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 3mfy s ILE 430 Cb 0.30 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3mfy s ILE 430 CO -0.09 -0.34 1.50 0.21 0.00 0.00 0.00 174.94 176.22 3mfy s ASN 431 N 1.75 6.62 0.00 3.58 3.84 -0.14 -4.86 114.94 125.73 3mfy s ASN 431 Ca 0.31 1.74 0.28 0.00 0.21 0.00 0.00 52.86 55.40 3mfy s ASN 431 Cb -0.14 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.11 3mfy s ASN 431 CO 0.15 -1.04 1.76 -2.67 -2.79 0.00 0.00 177.10 172.52 3mfy n TRP 432 N 7.58 0.00 -0.08 0.43 2.14 -1.26 -2.12 117.44 124.13 3mfy n TRP 432 Ca 0.17 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.69 3mfy n TRP 432 Cb 0.45 -0.06 -0.16 0.00 -0.81 0.00 0.00 31.31 30.73 3mfy n TRP 432 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3mfy n LEU 433 N -0.32 0.01 -0.01 5.67 7.99 -1.26 -4.61 117.00 124.48 3mfy n LEU 433 Ca 0.17 0.01 0.09 0.00 -0.01 0.00 0.00 56.01 56.27 3mfy n LEU 433 Cb 0.32 0.38 -0.13 0.00 -0.11 0.00 0.00 43.42 43.88 3mfy n LEU 433 CO 0.20 0.38 -0.49 0.35 -1.51 0.00 0.00 177.39 176.33 3mfy n THR 434 N -2.64 0.00 -1.63 -5.08 -2.24 -1.23 -4.96 114.28 96.51 3mfy n THR 434 Ca -0.26 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 3mfy n THR 434 Cb 1.02 0.40 0.05 0.00 -2.10 0.00 0.00 70.33 69.70 3mfy n THR 434 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mfy s SER 435 N -3.62 5.37 0.09 3.42 0.01 -0.90 -4.84 113.70 113.23 3mfy s SER 435 Ca -0.02 1.68 -0.21 0.00 1.31 0.00 0.00 55.95 58.71 3mfy s SER 435 Cb 0.12 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.90 3mfy s SER 435 CO 0.75 -1.45 0.52 -0.72 0.41 0.00 0.00 173.24 172.74 3mfy s TYR 436 N -2.91 -0.41 -0.03 2.43 -0.85 -0.90 -4.96 117.35 109.72 3mfy s TYR 436 Ca 0.59 0.31 0.01 0.00 -0.52 0.00 0.00 57.07 57.46 3mfy s TYR 436 Cb -0.15 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.59 3mfy s TYR 436 CO 0.52 -0.71 -0.05 0.45 -1.52 0.00 0.00 175.55 174.23 3mfy s SER 437 N -2.37 0.83 0.00 -0.18 0.15 -1.26 -0.87 113.70 110.00 3mfy s SER 437 Ca -0.02 -0.12 0.19 0.00 0.70 0.00 0.00 55.95 56.71 3mfy s SER 437 Cb -0.00 -0.30 0.53 0.00 -1.71 0.00 0.00 66.02 64.53 3mfy s SER 437 CO -0.07 -0.01 1.44 0.18 1.20 0.00 0.00 173.24 175.98 3mfy n LEU 438 N 3.64 3.08 -1.18 3.45 4.77 0.12 -4.13 117.00 126.75 3mfy n LEU 438 Ca -0.21 -1.48 0.12 0.00 -0.03 0.00 0.00 56.01 54.40 3mfy n LEU 438 Cb 0.53 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 3mfy n LEU 438 CO 0.24 0.74 0.73 -1.22 -1.33 0.00 0.00 177.39 176.55 3mfy n TYR 439 N 1.20 0.62 0.01 -1.77 4.01 -1.26 -4.65 117.16 115.31 3mfy n TYR 439 Ca 0.19 -0.31 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 3mfy n TYR 439 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 3mfy n TYR 439 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3mfy h VAL 440 N 4.31 0.99 -0.02 -0.72 2.07 -1.87 -1.13 116.25 119.87 3mfy h VAL 440 Ca 0.00 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3mfy h VAL 440 Cb 0.96 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3mfy h VAL 440 CO 0.00 0.01 -0.56 0.44 0.02 0.00 0.00 177.57 177.48 3mfy h ASP 441 N 0.08 0.08 0.20 0.57 3.32 -1.93 -2.58 116.42 116.16 3mfy h ASP 441 Ca 0.03 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3mfy h ASP 441 Cb 0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3mfy h ASP 441 CO -0.03 0.62 -0.43 0.00 -1.72 0.00 0.00 179.24 177.68 3mfy h ALA 442 N 1.38 1.05 -0.01 3.45 0.00 -1.70 -3.25 119.26 120.18 3mfy h ALA 442 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3mfy h ALA 442 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3mfy h ALA 442 CO 0.08 0.61 -0.46 1.33 0.00 0.00 0.00 179.25 180.80 3mfy n VAL 443 N -4.01 0.00 -0.02 0.00 0.24 -0.48 -4.08 118.33 109.97 3mfy n VAL 443 Ca -0.02 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.02 3mfy n VAL 443 Cb 0.50 1.01 0.13 0.00 -1.47 0.00 0.00 33.84 34.00 3mfy n VAL 443 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3mfy h LYS 444 N 1.92 0.60 -0.33 7.34 2.10 -1.49 -2.68 116.57 124.02 3mfy h LYS 444 Ca 0.00 -0.26 -0.10 0.00 -2.00 0.00 0.00 60.65 58.28 3mfy h LYS 444 Cb 0.67 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.97 3mfy h LYS 444 CO 0.00 0.84 -0.22 0.22 -2.00 0.00 0.00 179.45 178.29 3mfy h ASP 445 N 0.51 0.64 0.02 7.07 1.82 -1.81 0.27 116.42 124.93 3mfy h ASP 445 Ca 0.06 -0.22 0.01 0.00 -0.39 0.00 0.00 57.03 56.49 3mfy h ASP 445 Cb 0.80 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 3mfy h ASP 445 CO 0.07 0.85 -0.06 -0.25 -1.61 0.00 0.00 179.24 178.23 3mfy h TRP 446 N 0.56 -0.15 -0.49 0.28 7.01 -1.72 -0.27 115.95 121.18 3mfy h TRP 446 Ca 0.08 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.14 3mfy h TRP 446 Cb 0.68 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 3mfy h TRP 446 CO 0.03 -0.10 0.22 -1.49 -2.79 0.00 0.00 178.44 174.31 3mfy h TRP 447 N -0.12 0.40 -0.94 2.65 4.06 -1.20 -1.38 115.95 119.43 3mfy h TRP 447 Ca 0.02 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3mfy h TRP 447 Cb 0.14 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.14 3mfy h TRP 447 CO -0.12 0.18 0.61 0.45 -3.56 0.00 0.00 178.44 176.00 3mfy h HIS 448 N 0.43 1.15 0.15 0.49 3.86 -0.12 0.16 115.15 121.27 3mfy h HIS 448 Ca 0.22 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 59.13 3mfy h HIS 448 Cb 0.17 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.25 3mfy h HIS 448 CO -0.12 0.68 -1.62 -0.22 0.86 0.00 0.00 177.93 177.51 3mfy h LYS 449 N 1.20 0.32 0.00 2.45 3.64 -0.96 -3.14 116.57 120.07 3mfy h LYS 449 Ca 0.37 -0.54 -0.27 0.00 -1.27 0.00 0.00 60.65 58.93 3mfy h LYS 449 Cb -0.03 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3mfy h LYS 449 CO -0.11 1.20 -2.21 0.09 -2.27 0.00 0.00 179.45 176.15 3mfy n ASN 450 N -3.51 0.36 0.02 4.20 3.02 -0.53 -4.87 115.26 113.94 3mfy n ASN 450 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 3mfy n ASN 450 Cb 1.06 1.17 0.00 0.00 -0.61 0.00 0.00 39.78 41.40 3mfy n ASN 450 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3mfy n ILE 451 N -2.59 0.32 -3.48 2.41 2.08 0.37 -5.06 119.36 113.41 3mfy n ILE 451 Ca -0.25 0.11 0.01 0.00 0.56 0.00 0.00 62.75 63.17 3mfy n ILE 451 Cb 0.99 -1.47 -0.04 0.00 -0.75 0.00 0.00 39.64 38.37 3mfy n ILE 451 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3mfy s ASP 452 N -5.26 -0.75 0.01 4.38 -1.08 -0.09 -4.98 116.67 108.90 3mfy s ASP 452 Ca 0.00 1.03 0.03 0.00 -0.52 0.00 0.00 52.55 53.09 3mfy s ASP 452 Cb 0.00 1.84 0.13 0.00 -1.46 0.00 0.00 42.92 43.43 3mfy s ASP 452 CO 0.00 -0.14 1.09 -2.65 0.52 0.00 0.00 175.17 173.99 3mfy n PRO 453 N 5.08 0.00 -0.26 4.34 -0.02 -1.19 -2.19 135.00 140.77 3mfy n PRO 453 Ca -0.10 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3mfy n PRO 453 Cb 0.52 -1.51 0.24 0.00 -0.02 0.00 0.00 33.50 32.72 3mfy n PRO 453 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mfy n GLU 454 N -1.52 2.66 0.02 -0.52 1.02 -1.26 -4.74 120.64 116.30 3mfy n GLU 454 Ca 0.01 -2.34 -0.14 0.00 -0.02 0.00 0.00 57.16 54.67 3mfy n GLU 454 Cb 0.03 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 3mfy n GLU 454 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3mfy h TRP 455 N 3.42 -1.43 -0.42 -0.32 7.01 -1.78 0.13 115.95 122.56 3mfy h TRP 455 Ca 0.00 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 3mfy h TRP 455 Cb 0.88 0.64 -0.02 0.00 -2.10 0.00 0.00 29.16 28.56 3mfy h TRP 455 CO 0.35 -0.53 0.20 -0.22 -2.79 0.00 0.00 178.44 175.45 3mfy h LYS 456 N -0.58 0.60 -0.90 2.65 1.63 -1.87 -1.12 116.57 116.98 3mfy h LYS 456 Ca 0.04 -0.09 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 3mfy h LYS 456 Cb 0.68 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.14 3mfy h LYS 456 CO -0.40 0.52 0.57 0.00 -3.45 0.00 0.00 179.45 176.70 3mfy h ALA 457 N 1.05 1.22 -0.37 5.00 0.00 -1.79 -1.51 119.26 122.85 3mfy h ALA 457 Ca 0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3mfy h ALA 457 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mfy h ALA 457 CO -0.02 0.38 -0.40 0.52 0.00 0.00 0.00 179.25 179.73 3mfy h MET 458 N 1.08 0.91 -0.73 0.00 2.86 -0.34 -1.83 114.93 116.89 3mfy h MET 458 Ca 0.38 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3mfy h MET 458 Cb 0.09 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3mfy h MET 458 CO -0.15 1.14 0.27 0.07 1.06 0.00 0.00 176.91 179.30 3mfy h ARG 459 N 0.74 1.09 -0.38 1.72 0.11 -0.92 -0.71 114.38 116.02 3mfy h ARG 459 Ca 0.06 -0.20 -0.10 0.00 0.10 0.00 0.00 59.98 59.84 3mfy h ARG 459 Cb 0.99 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 3mfy h ARG 459 CO 0.10 0.90 -0.14 -0.44 0.10 0.00 0.00 179.97 180.49 3mfy h ASP 460 N 1.06 0.79 -0.40 0.08 3.32 -1.19 0.24 116.42 120.32 3mfy h ASP 460 Ca 0.24 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3mfy h ASP 460 Cb 0.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3mfy h ASP 460 CO -0.02 1.00 0.04 0.50 -1.72 0.00 0.00 179.24 179.04 3mfy h LYS 461 N 0.58 0.68 -0.55 3.56 3.64 -1.15 -0.07 116.57 123.27 3mfy h LYS 461 Ca 0.09 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 3mfy h LYS 461 Cb 0.68 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3mfy h LYS 461 CO 0.05 0.75 -0.06 0.00 -2.27 0.00 0.00 179.45 177.92 3mfy h ALA 462 N 0.91 0.86 -0.55 5.00 0.00 -0.96 -2.07 119.26 122.45 3mfy h ALA 462 Ca 0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3mfy h ALA 462 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mfy h ALA 462 CO 0.01 0.66 -0.02 1.98 0.00 0.00 0.00 179.25 181.88 3mfy h MET 463 N 0.90 0.98 -0.92 0.00 1.85 -0.76 -1.68 114.93 115.30 3mfy h MET 463 Ca 0.15 -0.32 -0.01 0.00 -0.61 0.00 0.00 59.70 58.91 3mfy h MET 463 Cb 0.60 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.50 3mfy h MET 463 CO 0.04 0.99 0.55 0.00 -0.40 0.00 0.00 176.91 178.09 3mfy h ALA 464 N 0.95 1.25 -0.57 0.39 0.00 -0.71 0.23 119.26 120.79 3mfy h ALA 464 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mfy h ALA 464 Cb 0.57 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3mfy h ALA 464 CO 0.03 0.65 0.37 -0.07 0.00 0.00 0.00 179.25 180.23 3mfy h LEU 465 N 1.26 0.64 -0.61 0.00 4.07 -1.07 0.14 115.31 119.74 3mfy h LEU 465 Ca 0.33 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.24 3mfy h LEU 465 Cb -0.05 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.51 3mfy h LEU 465 CO -0.06 0.46 0.25 -0.07 -1.08 0.00 0.00 178.44 177.94 3mfy h LEU 466 N 0.76 0.83 -0.39 1.67 3.38 -0.48 0.15 115.31 121.23 3mfy h LEU 466 Ca 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3mfy h LEU 466 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3mfy h LEU 466 CO -0.06 0.76 0.17 -0.61 0.09 0.00 0.00 178.44 178.80 3mfy h GLN 467 N 0.84 0.57 -0.23 1.13 5.75 -0.26 -1.08 115.11 121.82 3mfy h GLN 467 Ca 0.20 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3mfy h GLN 467 Cb 0.19 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3mfy h GLN 467 CO -0.02 0.52 0.13 -0.22 -2.65 0.00 0.00 178.83 176.59 3mfy h LYS 468 N 0.48 0.33 -0.79 1.69 1.63 -0.55 -2.50 116.57 116.86 3mfy h LYS 468 Ca 0.13 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 3mfy h LYS 468 Cb 0.15 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 3mfy h LYS 468 CO -0.01 0.30 0.44 1.49 -3.45 0.00 0.00 179.45 178.22 3mfy h GLU 469 N 0.27 0.74 -0.51 1.90 4.81 -0.41 -0.92 114.58 120.46 3mfy h GLU 469 Ca 0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3mfy h GLU 469 Cb 0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3mfy h GLU 469 CO -0.01 0.49 0.15 1.03 -0.73 0.00 0.00 179.01 179.93 3mfy h SER 470 N 0.76 0.75 -0.50 1.04 0.87 -0.88 -1.05 113.55 114.54 3mfy h SER 470 Ca 0.38 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3mfy h SER 470 Cb 0.33 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3mfy h SER 470 CO -0.24 0.77 0.29 -0.08 -0.53 0.00 0.00 176.83 177.03 3mfy h GLU 471 N 0.69 0.69 -0.35 2.24 4.81 -0.97 -2.49 114.58 119.20 3mfy h GLU 471 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3mfy h GLU 471 Cb 0.29 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3mfy h GLU 471 CO -0.00 0.52 0.17 -0.07 -0.73 0.00 0.00 179.01 178.89 3mfy h LEU 472 N 0.66 0.47 -1.09 1.64 3.38 -1.01 -1.93 115.31 117.43 3mfy h LEU 472 Ca 0.18 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3mfy h LEU 472 Cb 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3mfy h LEU 472 CO -0.03 0.47 0.62 1.56 0.09 0.00 0.00 178.44 181.14 3mfy h GLN 473 N 0.44 1.13 -0.72 1.13 4.20 -1.16 0.45 115.11 120.58 3mfy h GLN 473 Ca 0.12 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3mfy h GLN 473 Cb 0.12 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3mfy h GLN 473 CO -0.01 0.74 0.33 0.93 -0.67 0.00 0.00 178.83 180.15 3mfy h GLU 474 N 1.16 1.04 -0.58 1.46 4.39 -1.07 -1.23 114.58 119.75 3mfy h GLU 474 Ca 0.38 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 3mfy h GLU 474 Cb 0.06 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3mfy h GLU 474 CO -0.13 0.82 -0.05 0.82 -1.16 0.00 0.00 179.01 179.32 3mfy h ILE 475 N 1.01 1.27 -0.46 3.13 2.04 -0.65 -3.10 117.51 120.75 3mfy h ILE 475 Ca 0.24 -1.20 -0.13 0.00 1.00 0.00 0.00 64.86 64.78 3mfy h ILE 475 Cb 0.14 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3mfy h ILE 475 CO -0.03 0.43 -0.21 0.58 0.00 0.00 0.00 178.15 178.92 3mfy h VAL 476 N 0.94 1.27 -0.87 1.67 2.07 -0.80 -0.84 116.25 119.70 3mfy h VAL 476 Ca 0.16 -1.37 0.19 0.00 0.82 0.00 0.00 66.70 66.51 3mfy h VAL 476 Cb 0.61 1.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.44 3mfy h VAL 476 CO 0.04 0.47 0.38 -0.09 0.02 0.00 0.00 177.57 178.39 3mfy h ARG 477 N 0.80 0.43 0.05 1.57 2.43 -1.15 0.52 114.38 119.02 3mfy h ARG 477 Ca 0.10 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3mfy h ARG 477 Cb 0.78 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3mfy h ARG 477 CO 0.06 0.28 -0.43 0.82 -1.51 0.00 0.00 179.97 179.19 3mfy h ILE 478 N 0.44 1.58 -0.01 1.20 2.04 -1.37 -3.40 117.51 117.98 3mfy h ILE 478 Ca 0.52 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 64.12 3mfy h ILE 478 Cb 0.92 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 3mfy h ILE 478 CO -0.48 0.62 -0.21 1.33 0.00 0.00 0.00 178.15 179.40 3mfy n VAL 479 N -4.36 0.00 0.00 1.67 0.24 -0.37 -5.12 118.33 110.39 3mfy n VAL 479 Ca -0.11 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3mfy n VAL 479 Cb 0.63 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 3mfy n VAL 479 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mfy n GLY 480 N 0.92 -1.15 0.05 7.63 0.00 0.18 -4.80 105.19 108.02 3mfy n GLY 480 Ca 0.05 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.58 3mfy n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mfy n PRO 481 N -1.07 0.17 0.15 1.61 -0.04 -1.26 -4.59 135.00 129.98 3mfy n PRO 481 Ca 0.00 -0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 3mfy n PRO 481 Cb 0.00 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.47 3mfy n PRO 481 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3mfy h ASP 482 N 0.24 0.00 -0.05 3.54 3.32 -1.98 -3.05 116.42 118.45 3mfy h ASP 482 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3mfy h ASP 482 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3mfy h ASP 482 CO 0.00 0.00 -0.28 0.00 -1.72 0.00 0.00 179.24 177.24 3mfy n ALA 483 N -1.83 3.28 -2.59 3.45 0.00 -1.26 -5.00 120.51 116.55 3mfy n ALA 483 Ca 0.02 -3.04 -0.42 0.00 0.00 0.00 0.00 53.44 50.00 3mfy n ALA 483 Cb 0.27 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 3mfy n ALA 483 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mfy s LEU 484 N -3.11 4.31 0.93 0.00 1.02 -1.16 -5.05 118.68 115.62 3mfy s LEU 484 Ca 0.37 1.72 -0.10 0.00 0.02 0.00 0.00 54.13 56.14 3mfy s LEU 484 Cb 0.35 -3.56 0.15 0.00 0.02 0.00 0.00 46.19 43.14 3mfy s LEU 484 CO -0.03 -0.44 1.12 -2.84 0.02 0.00 0.00 176.35 174.19 3mfy s PRO 485 N 1.65 0.93 0.24 1.29 0.02 -1.26 -4.78 135.00 133.09 3mfy s PRO 485 Ca 0.53 1.39 -0.06 0.00 0.02 0.00 0.00 61.00 62.88 3mfy s PRO 485 Cb -0.23 -1.73 0.32 0.00 0.02 0.00 0.00 34.50 32.89 3mfy s PRO 485 CO 0.23 -2.64 1.85 0.93 -0.33 0.00 0.00 177.00 177.05 3mfy h GLU 486 N -1.87 0.94 -0.93 5.54 4.39 -1.98 -1.18 114.58 119.50 3mfy h GLU 486 Ca -0.46 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.26 3mfy h GLU 486 Cb 1.27 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.64 3mfy h GLU 486 CO 0.44 0.62 0.58 -0.09 -1.16 0.00 0.00 179.01 179.41 3mfy h ARG 487 N 0.96 1.01 0.23 2.33 2.43 -1.97 0.22 114.38 119.59 3mfy h ARG 487 Ca 0.37 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 59.15 3mfy h ARG 487 Cb 0.16 -0.23 0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3mfy h ARG 487 CO -0.17 0.67 -1.49 0.93 -1.51 0.00 0.00 179.97 178.40 3mfy h GLU 488 N 1.04 0.49 -0.79 0.20 4.39 -1.66 -2.13 114.58 116.12 3mfy h GLU 488 Ca 0.41 -0.83 0.02 0.00 0.34 0.00 0.00 59.36 59.30 3mfy h GLU 488 Cb 0.22 0.31 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3mfy h GLU 488 CO -0.19 1.39 0.52 0.00 -1.16 0.00 0.00 179.01 179.58 3mfy h ARG 489 N 0.13 0.98 -0.45 2.33 3.08 -1.00 -2.23 114.38 117.23 3mfy h ARG 489 Ca -0.25 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 3mfy h ARG 489 Cb 2.14 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 3mfy h ARG 489 CO 0.26 0.65 -0.17 0.00 -1.07 0.00 0.00 179.97 179.63 3mfy h ALA 490 N 1.53 0.85 -0.68 0.04 0.00 -0.39 -0.92 119.26 119.69 3mfy h ALA 490 Ca 0.30 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mfy h ALA 490 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3mfy h ALA 490 CO -0.08 0.64 0.41 0.82 0.00 0.00 0.00 179.25 181.04 3mfy h ILE 491 N 0.76 1.19 -0.58 0.00 2.04 -1.00 -1.37 117.51 118.55 3mfy h ILE 491 Ca 0.11 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3mfy h ILE 491 Cb 0.70 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3mfy h ILE 491 CO 0.05 0.20 -0.01 -0.07 0.00 0.00 0.00 178.15 178.32 3mfy h LEU 492 N 0.92 0.99 -0.18 1.44 3.38 -1.12 -0.24 115.31 120.50 3mfy h LEU 492 Ca 0.24 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3mfy h LEU 492 Cb -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3mfy h LEU 492 CO -0.05 1.05 0.02 0.25 0.09 0.00 0.00 178.44 179.81 3mfy h LEU 493 N 0.93 -0.03 -0.13 1.67 7.12 -0.85 -1.73 115.31 122.30 3mfy h LEU 493 Ca 0.16 0.03 -0.24 0.00 0.13 0.00 0.00 57.88 57.97 3mfy h LEU 493 Cb 0.56 0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.75 3mfy h LEU 493 CO 0.03 0.01 -0.95 0.58 -0.13 0.00 0.00 178.44 177.99 3mfy h VAL 494 N 0.09 1.34 -0.89 1.05 2.07 -1.10 -1.44 116.25 117.37 3mfy h VAL 494 Ca 0.08 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.31 3mfy h VAL 494 Cb 0.09 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 3mfy h VAL 494 CO -0.13 0.70 0.59 0.00 0.02 0.00 0.00 177.57 178.75 3mfy h ALA 495 N 0.62 1.13 -0.41 1.67 0.00 -1.06 0.11 119.26 121.32 3mfy h ALA 495 Ca -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3mfy h ALA 495 Cb 1.59 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3mfy h ALA 495 CO 0.18 0.51 0.21 -0.09 0.00 0.00 0.00 179.25 180.06 3mfy h ARG 496 N 1.19 0.58 -0.89 0.00 2.43 -1.06 0.26 114.38 116.89 3mfy h ARG 496 Ca 0.33 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3mfy h ARG 496 Cb -0.11 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.27 3mfy h ARG 496 CO -0.08 0.49 0.57 0.52 -1.51 0.00 0.00 179.97 179.96 3mfy h MET 497 N 0.53 1.06 -0.30 0.20 2.86 -0.63 -0.01 114.93 118.64 3mfy h MET 497 Ca 0.14 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3mfy h MET 497 Cb 0.08 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3mfy h MET 497 CO -0.02 0.70 0.11 -0.07 1.06 0.00 0.00 176.91 178.69 3mfy h LEU 498 N 1.09 0.13 -0.63 1.22 3.38 -0.07 0.35 115.31 120.79 3mfy h LEU 498 Ca 0.36 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3mfy h LEU 498 Cb 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3mfy h LEU 498 CO -0.13 0.11 0.15 0.03 0.09 0.00 0.00 178.44 178.70 3mfy h ARG 499 N 0.25 1.01 0.10 1.13 3.08 -0.69 -1.01 114.38 118.25 3mfy h ARG 499 Ca 0.13 -0.24 -0.32 0.00 0.07 0.00 0.00 59.98 59.62 3mfy h ARG 499 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3mfy h ARG 499 CO -0.13 0.91 -1.72 0.93 -1.07 0.00 0.00 179.97 178.89 3mfy h GLU 500 N 0.93 0.22 0.00 0.04 5.08 -0.91 -1.73 114.58 118.20 3mfy h GLU 500 Ca 0.20 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3mfy h GLU 500 Cb 0.36 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3mfy h GLU 500 CO 0.00 1.04 -0.99 -0.25 -1.00 0.00 0.00 179.01 177.81 3mfy n ASP 501 N -3.39 0.63 0.10 1.42 8.00 0.12 -4.44 116.55 119.00 3mfy n ASP 501 Ca -0.22 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3mfy n ASP 501 Cb 1.05 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.82 3mfy n ASP 501 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mfy n TYR 502 N -2.13 -1.46 -0.08 1.24 9.36 -0.93 -4.70 117.16 118.46 3mfy n TYR 502 Ca 0.02 0.26 -0.10 0.00 3.32 0.00 0.00 57.90 61.39 3mfy n TYR 502 Cb 0.46 0.34 -0.03 0.00 -0.63 0.00 0.00 39.34 39.48 3mfy n TYR 502 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3mfy h LEU 503 N 0.00 0.33 -9.85 2.98 4.07 -1.27 -3.42 115.31 108.15 3mfy h LEU 503 Ca 0.00 -0.12 -0.53 0.00 0.08 0.00 0.00 57.88 57.31 3mfy h LEU 503 Cb 0.01 -0.09 0.07 0.00 1.08 0.00 0.00 40.66 41.74 3mfy h LEU 503 CO 0.00 0.36 0.69 -1.10 -1.08 0.00 0.00 178.44 177.31 3mfy s GLN 504 N -5.72 4.30 -0.09 1.13 -0.21 -0.65 -4.47 119.66 113.94 3mfy s GLN 504 Ca -0.13 2.28 -0.20 0.00 0.02 0.00 0.00 55.36 57.33 3mfy s GLN 504 Cb 0.08 -3.07 0.04 0.00 1.00 0.00 0.00 33.01 31.07 3mfy s GLN 504 CO 0.71 -0.30 0.48 -1.14 -2.12 0.00 0.00 175.29 172.92 3mfy s GLN 505 N -1.40 0.73 -0.42 2.91 0.74 -0.05 -4.76 119.66 117.40 3mfy s GLN 505 Ca 0.52 0.27 -0.05 0.00 0.05 0.00 0.00 55.36 56.16 3mfy s GLN 505 Cb -0.41 0.34 0.11 0.00 1.10 0.00 0.00 33.01 34.15 3mfy s GLN 505 CO 0.51 -0.17 0.24 0.34 -0.55 0.00 0.00 175.29 175.66 3mfy s ASP 506 N -0.65 5.37 0.63 6.67 -1.08 -1.26 -3.95 116.67 122.40 3mfy s ASP 506 Ca -0.07 -1.98 0.41 0.00 -0.52 0.00 0.00 52.55 50.38 3mfy s ASP 506 Cb -0.03 -1.88 2.15 0.00 -1.46 0.00 0.00 42.92 41.70 3mfy s ASP 506 CO 0.04 -0.58 2.28 0.00 0.52 0.00 0.00 175.17 177.43 3mfy h ALA 507 N 8.15 1.04 -0.06 3.66 0.00 -1.90 -2.35 119.26 127.80 3mfy h ALA 507 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mfy h ALA 507 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mfy h ALA 507 CO 0.74 0.01 0.00 1.19 0.00 0.00 0.00 179.25 181.18 3mfy n PHE 508 N -3.15 0.05 -3.90 0.00 3.72 -1.26 -4.49 117.46 108.44 3mfy n PHE 508 Ca -0.02 -0.03 -0.33 0.00 -0.05 0.00 0.00 57.45 57.02 3mfy n PHE 508 Cb 0.13 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 3mfy n PHE 508 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3mfy s ASP 509 N -1.93 6.38 0.42 4.37 2.15 -0.91 -4.97 116.67 122.17 3mfy s ASP 509 Ca 0.33 0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.87 3mfy s ASP 509 Cb 0.20 -2.01 0.86 0.00 -0.30 0.00 0.00 42.92 41.68 3mfy s ASP 509 CO 0.31 0.27 1.82 1.05 -0.17 0.00 0.00 175.17 178.44 3mfy h GLU 510 N 3.86 0.00 0.01 4.34 4.11 -1.91 -1.18 114.58 123.81 3mfy h GLU 510 Ca -0.49 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.63 3mfy h GLU 510 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3mfy h GLU 510 CO 0.69 0.29 -1.70 0.28 0.07 0.00 0.00 179.01 178.64 3mfy n VAL 511 N -3.54 1.56 1.71 -1.06 0.31 -1.26 -4.52 118.33 111.53 3mfy n VAL 511 Ca -0.00 -0.20 0.15 0.00 -0.01 0.00 0.00 64.34 64.28 3mfy n VAL 511 Cb 0.44 -1.95 0.80 0.00 -0.91 0.00 0.00 33.84 32.22 3mfy n VAL 511 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3mfy n ASP 512 N -4.25 0.26 0.28 4.52 2.03 -1.20 -2.78 116.55 115.40 3mfy n ASP 512 Ca -0.38 -0.80 0.13 0.00 0.52 0.00 0.00 54.79 54.26 3mfy n ASP 512 Cb 0.78 -0.07 0.81 0.00 -0.72 0.00 0.00 41.12 41.92 3mfy n ASP 512 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mfy h THR 513 N 0.37 0.62 -3.64 5.18 1.03 -0.97 -3.37 112.91 112.13 3mfy h THR 513 Ca 0.00 -0.18 -0.27 0.00 -0.01 0.00 0.00 66.41 65.95 3mfy h THR 513 Cb 0.18 1.11 -0.31 0.00 -1.07 0.00 0.00 68.15 68.07 3mfy h THR 513 CO 0.00 0.04 -0.73 -0.47 -0.01 0.00 0.00 175.52 174.36 3mfy s TYR 514 N -4.56 0.04 -0.32 0.00 5.04 -1.12 -4.88 117.35 111.55 3mfy s TYR 514 Ca -0.04 0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 3mfy s TYR 514 Cb 0.15 -0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.40 3mfy s TYR 514 CO 0.58 -0.04 0.03 0.00 -1.34 0.00 0.00 175.55 174.78 3mfy s PRO 516 N 1.19 3.15 0.32 0.00 0.02 -1.26 -4.37 135.00 134.04 3mfy s PRO 516 Ca -0.02 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.13 3mfy s PRO 516 Cb -0.20 -2.16 0.94 0.00 0.02 0.00 0.00 34.50 33.09 3mfy s PRO 516 CO -0.03 -1.12 1.62 -1.35 -0.33 0.00 0.00 177.00 175.79 3mfy h PRO 517 N 1.33 0.14 -0.24 5.54 0.11 -1.99 0.75 132.00 137.64 3mfy h PRO 517 Ca -0.51 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3mfy h PRO 517 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3mfy h PRO 517 CO 0.57 0.09 -0.30 1.49 -0.21 0.00 0.00 178.00 179.64 3mfy h GLU 518 N 0.14 0.48 -0.30 1.05 4.81 -1.93 -1.80 114.58 117.02 3mfy h GLU 518 Ca 0.66 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 59.57 3mfy h GLU 518 Cb 1.50 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 3mfy h GLU 518 CO -0.73 0.72 -0.30 -0.22 -0.73 0.00 0.00 179.01 177.75 3mfy h LYS 519 N 0.41 0.74 -0.27 1.92 3.64 -1.26 -2.80 116.57 118.95 3mfy h LYS 519 Ca 0.05 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 3mfy h LYS 519 Cb 0.73 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3mfy h LYS 519 CO 0.06 1.01 0.02 1.96 -2.27 0.00 0.00 179.45 180.23 3mfy h GLN 520 N 0.50 0.10 -0.04 1.90 4.20 -0.64 -0.17 115.11 120.96 3mfy h GLN 520 Ca 0.05 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3mfy h GLN 520 Cb 0.88 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3mfy h GLN 520 CO 0.07 0.07 -0.50 -0.39 -0.67 0.00 0.00 178.83 177.42 3mfy h VAL 521 N 0.11 1.35 -0.16 -0.54 -1.51 -1.39 -1.84 116.25 112.27 3mfy h VAL 521 Ca 0.13 -1.72 -0.15 0.00 -1.23 0.00 0.00 66.70 63.73 3mfy h VAL 521 Cb 0.15 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3mfy h VAL 521 CO -0.20 0.50 -0.47 0.74 -1.23 0.00 0.00 177.57 176.91 3mfy h THR 522 N 0.08 1.34 -0.78 7.19 2.02 -1.21 -0.37 112.91 121.18 3mfy h THR 522 Ca 0.00 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 3mfy h THR 522 Cb 0.91 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 3mfy h THR 522 CO 0.07 0.53 0.38 0.24 0.37 0.00 0.00 175.52 177.11 3mfy h MET 523 N 0.25 1.11 -0.31 6.66 2.86 -0.94 -1.48 114.93 123.07 3mfy h MET 523 Ca -0.01 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3mfy h MET 523 Cb 1.09 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3mfy h MET 523 CO 0.10 0.85 0.06 1.98 1.06 0.00 0.00 176.91 180.96 3mfy h MET 524 N 1.10 0.51 -0.65 1.72 -1.53 -1.12 -1.53 114.93 113.44 3mfy h MET 524 Ca 0.27 -0.13 0.05 0.00 -3.44 0.00 0.00 59.70 56.45 3mfy h MET 524 Cb 0.10 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.03 3mfy h MET 524 CO -0.04 0.59 0.37 0.00 0.14 0.00 0.00 176.91 177.98 3mfy h ARG 525 N 0.35 0.68 -0.62 0.39 3.08 -0.87 0.83 114.38 118.23 3mfy h ARG 525 Ca 0.10 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.19 3mfy h ARG 525 Cb 0.32 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 3mfy h ARG 525 CO 0.00 0.45 0.27 0.28 -1.07 0.00 0.00 179.97 179.90 3mfy h VAL 526 N 0.70 0.84 -0.08 2.04 2.07 -1.07 0.19 116.25 120.94 3mfy h VAL 526 Ca 0.28 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 3mfy h VAL 526 Cb 0.14 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3mfy h VAL 526 CO -0.16 0.09 -0.24 -0.07 0.02 0.00 0.00 177.57 177.21 3mfy h LEU 527 N 0.49 0.35 -0.77 2.57 3.38 -0.56 -2.19 115.31 118.58 3mfy h LEU 527 Ca 0.30 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 3mfy h LEU 527 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mfy h LEU 527 CO -0.26 0.89 -0.29 -0.07 0.09 0.00 0.00 178.44 178.80 3mfy h LEU 528 N -0.18 0.63 -1.04 1.67 3.38 -0.81 -0.48 115.31 118.47 3mfy h LEU 528 Ca -0.01 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3mfy h LEU 528 Cb 0.86 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3mfy h LEU 528 CO 0.05 0.89 0.64 -1.13 0.09 0.00 0.00 178.44 178.97 3mfy h ASN 529 N 0.53 1.12 -0.67 -0.43 -1.24 -0.66 -1.08 115.58 113.15 3mfy h ASN 529 Ca 0.07 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3mfy h ASN 529 Cb 0.77 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 3mfy h ASN 529 CO 0.06 0.82 0.30 0.15 -1.29 0.00 0.00 177.43 177.47 3mfy h PHE 530 N 1.32 0.99 -0.15 0.67 3.57 -0.93 -0.83 116.94 121.58 3mfy h PHE 530 Ca 0.35 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3mfy h PHE 530 Cb -0.14 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.28 3mfy h PHE 530 CO 0.00 0.76 0.04 -0.92 -2.23 0.00 0.00 178.31 175.96 3mfy h TYR 531 N 0.94 0.08 -0.35 0.41 3.20 -0.77 0.17 116.97 120.64 3mfy h TYR 531 Ca 0.23 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3mfy h TYR 531 Cb 0.16 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3mfy h TYR 531 CO 0.01 0.04 0.18 -0.44 -1.64 0.00 0.00 178.16 176.31 3mfy h ASP 532 N 0.11 0.45 -0.81 -2.11 3.32 -0.88 -1.51 116.42 115.00 3mfy h ASP 532 Ca 0.06 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3mfy h ASP 532 Cb 0.04 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3mfy h ASP 532 CO -0.07 0.44 0.53 0.11 -1.72 0.00 0.00 179.24 178.53 3mfy h LYS 533 N 0.44 1.07 -0.44 3.56 1.79 -1.09 -0.51 116.57 121.40 3mfy h LYS 533 Ca 0.12 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.59 3mfy h LYS 533 Cb 0.10 -0.24 -0.06 0.00 -1.58 0.00 0.00 32.23 30.45 3mfy h LYS 533 CO -0.02 0.72 0.10 1.15 -1.08 0.00 0.00 179.45 180.32 3mfy h THR 534 N 1.10 0.78 -0.08 -0.16 2.02 -0.14 -0.81 112.91 115.63 3mfy h THR 534 Ca 0.30 -0.08 -0.22 0.00 0.77 0.00 0.00 66.41 67.18 3mfy h THR 534 Cb -0.11 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3mfy h THR 534 CO -0.06 0.04 -0.83 0.24 0.37 0.00 0.00 175.52 175.28 3mfy h MET 535 N 0.24 0.57 -0.29 6.66 2.86 -1.01 -0.72 114.93 123.24 3mfy h MET 535 Ca 0.21 -0.52 0.06 0.00 -2.06 0.00 0.00 59.70 57.39 3mfy h MET 535 Cb 0.26 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3mfy h MET 535 CO -0.27 1.14 -0.08 1.49 1.06 0.00 0.00 176.91 180.26 3mfy h GLU 536 N 0.37 -0.01 -0.48 1.72 4.81 -1.05 -1.59 114.58 118.35 3mfy h GLU 536 Ca -0.06 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3mfy h GLU 536 Cb 1.45 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 3mfy h GLU 536 CO 0.16 -0.01 0.14 0.00 -0.73 0.00 0.00 179.01 178.57 3mfy h ALA 537 N 1.27 0.63 -0.10 2.92 0.00 -0.95 -2.25 119.26 120.78 3mfy h ALA 537 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3mfy h ALA 537 Cb 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3mfy h ALA 537 CO -0.30 0.29 -0.27 0.82 0.00 0.00 0.00 179.25 179.79 3mfy h ILE 538 N 0.64 0.38 -0.62 0.00 1.08 -1.09 -0.35 117.51 117.55 3mfy h ILE 538 Ca 0.15 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.80 3mfy h ILE 538 Cb 0.29 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3mfy h ILE 538 CO -0.00 0.00 0.69 -1.13 -0.69 0.00 0.00 178.15 177.02 3mfy h ASN 539 N -0.36 0.00 -0.29 1.72 -0.00 -0.97 -1.55 115.58 114.14 3mfy h ASN 539 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.31 3mfy h ASN 539 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.76 3mfy h ASN 539 CO -0.30 0.00 -0.02 0.54 -0.00 0.00 0.00 177.43 177.65 3mfy n ARG 540 N -3.57 2.39 -1.00 6.67 1.74 -0.80 -4.97 116.66 117.13 3mfy n ARG 540 Ca 0.13 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 3mfy n ARG 540 Cb 0.91 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3mfy n ARG 540 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mfy n GLY 541 N -0.82 0.94 3.72 -0.13 0.00 -0.58 -4.62 105.19 103.70 3mfy n GLY 541 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3mfy n GLY 541 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mfy s VAL 542 N -3.77 3.81 0.35 1.61 1.01 -0.21 -4.98 120.40 118.23 3mfy s VAL 542 Ca 0.00 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.04 3mfy s VAL 542 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3mfy s VAL 542 CO 0.00 0.12 1.22 -2.16 0.00 0.00 0.00 175.10 174.28 3mfy s PRO 543 N 0.85 4.26 0.39 2.72 0.04 -1.26 -4.23 135.00 137.77 3mfy s PRO 543 Ca 0.59 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.71 3mfy s PRO 543 Cb -0.31 -2.92 0.81 0.00 0.04 0.00 0.00 34.50 32.11 3mfy s PRO 543 CO 0.31 -0.19 1.97 1.25 0.04 0.00 0.00 177.00 180.37 3mfy h LEU 544 N 3.12 0.35 -1.52 -3.56 5.85 -1.94 -2.32 115.31 115.29 3mfy h LEU 544 Ca -0.49 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.28 3mfy h LEU 544 Cb 1.23 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3mfy h LEU 544 CO 0.64 0.38 0.45 -0.33 -0.34 0.00 0.00 178.44 179.24 3mfy h GLU 545 N 0.38 0.53 -0.28 1.25 3.07 -1.99 -0.63 114.58 116.91 3mfy h GLU 545 Ca 0.09 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 3mfy h GLU 545 Cb 0.19 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3mfy h GLU 545 CO 0.00 0.35 -0.36 0.93 -1.40 0.00 0.00 179.01 178.53 3mfy h GLU 546 N 0.55 0.62 -0.24 2.33 4.39 -1.81 -3.01 114.58 117.41 3mfy h GLU 546 Ca 0.31 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 3mfy h GLU 546 Cb 0.48 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3mfy h GLU 546 CO -0.10 0.89 -0.33 0.82 -1.16 0.00 0.00 179.01 179.12 3mfy h ILE 547 N 0.52 1.32 -0.14 3.13 2.04 -1.29 -2.85 117.51 120.24 3mfy h ILE 547 Ca 0.05 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.42 3mfy h ILE 547 Cb 0.86 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3mfy h ILE 547 CO 0.07 0.48 0.14 0.00 0.00 0.00 0.00 178.15 178.85 3mfy h ALA 548 N 0.65 1.81 -0.16 1.87 0.00 -1.14 -2.23 119.26 120.06 3mfy h ALA 548 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mfy h ALA 548 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mfy h ALA 548 CO 0.08 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.74 3mfy n LYS 549 N -3.93 1.98 -1.65 0.00 5.02 -1.12 -4.96 118.16 113.50 3mfy n LYS 549 Ca 0.01 -1.86 -0.49 0.00 -2.02 0.00 0.00 58.31 53.95 3mfy n LYS 549 Cb 0.26 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3mfy n LYS 549 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3mfy n LEU 550 N 1.15 2.63 -0.33 -0.35 7.94 -0.84 -4.83 117.00 122.37 3mfy n LEU 550 Ca 0.14 1.08 0.14 0.00 -1.11 0.00 0.00 56.01 56.25 3mfy n LEU 550 Cb 0.51 -1.33 0.36 0.00 0.53 0.00 0.00 43.42 43.49 3mfy n LEU 550 CO 0.13 -0.51 1.21 -0.65 -1.11 0.00 0.00 177.39 176.45 3mfy h PRO 551 N 5.92 0.69 0.00 1.96 0.11 -1.92 -2.46 132.00 136.31 3mfy h PRO 551 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3mfy h PRO 551 Cb 1.29 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mfy h PRO 551 CO 0.86 0.46 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.77 3mfy h VAL 552 N 0.71 0.87 -0.96 3.15 3.04 -1.93 -2.28 116.25 118.84 3mfy h VAL 552 Ca 0.54 -0.38 0.16 0.00 -1.01 0.00 0.00 66.70 66.01 3mfy h VAL 552 Cb 0.91 1.22 -0.09 0.00 -2.01 0.00 0.00 31.29 31.33 3mfy h VAL 552 CO -0.32 0.10 0.61 0.03 -1.01 0.00 0.00 177.57 176.98 3mfy h ARG 553 N 0.00 0.74 0.00 4.17 3.08 -1.79 -0.26 114.38 120.32 3mfy h ARG 553 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3mfy h ARG 553 Cb 0.21 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3mfy h ARG 553 CO 0.01 0.49 -0.55 1.05 -1.07 0.00 0.00 179.97 179.90 3mfy h GLU 554 N 0.76 0.00 -0.05 0.04 -0.00 -1.56 -2.49 114.58 111.28 3mfy h GLU 554 Ca 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.70 3mfy h GLU 554 Cb 0.78 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.52 3mfy h GLU 554 CO -0.27 0.06 -0.71 0.93 -0.00 0.00 0.00 179.01 179.02 3mfy h GLU 555 N 0.00 0.24 -0.78 1.06 5.08 -1.24 -3.15 114.58 115.79 3mfy h GLU 555 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3mfy h GLU 555 Cb 1.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3mfy h GLU 555 CO 0.01 0.85 0.50 0.82 -1.00 0.00 0.00 179.01 180.19 3mfy h ILE 556 N 0.16 1.21 0.00 3.13 2.04 -0.95 -1.13 117.51 121.97 3mfy h ILE 556 Ca -0.02 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3mfy h ILE 556 Cb 1.26 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3mfy h ILE 556 CO 0.11 0.20 -0.02 1.23 0.00 0.00 0.00 178.15 179.67 3mfy h GLY 557 N 1.07 0.00 -1.25 5.37 0.00 -1.41 -2.67 103.07 104.18 3mfy h GLY 557 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3mfy h GLY 557 CO -0.06 0.00 -0.28 0.54 0.00 0.00 0.00 176.54 176.74 3mfy n ARG 558 N -3.17 1.61 -0.36 4.80 1.74 -0.51 -4.61 116.66 116.17 3mfy n ARG 558 Ca -0.01 -1.28 0.27 0.00 -0.77 0.00 0.00 57.85 56.06 3mfy n ARG 558 Cb 0.20 -1.43 0.53 0.00 -1.02 0.00 0.00 32.46 30.75 3mfy n ARG 558 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3mfy h MET 559 N 3.06 0.29 0.00 5.56 2.86 -0.96 -1.56 114.93 124.19 3mfy h MET 559 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3mfy h MET 559 Cb 0.79 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3mfy h MET 559 CO 0.00 0.19 -0.11 1.57 1.06 0.00 0.00 176.91 179.63 3mfy h LYS 560 N 0.30 0.00 -0.00 1.72 2.10 -1.81 -2.00 116.57 116.87 3mfy h LYS 560 Ca 0.70 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.35 3mfy h LYS 560 Cb 1.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 3mfy h LYS 560 CO -0.42 0.11 -0.16 1.19 -2.00 0.00 0.00 179.45 178.17 3mfy n PHE 561 N -3.82 0.00 -2.97 0.07 3.72 -0.59 -4.17 117.46 109.71 3mfy n PHE 561 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 3mfy n PHE 561 Cb 0.21 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 3mfy n PHE 561 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mfy s GLU 562 N -2.50 4.02 0.34 -1.08 2.56 -0.76 -4.85 118.70 116.44 3mfy s GLU 562 Ca 0.27 0.63 0.16 0.00 0.00 0.00 0.00 54.97 56.03 3mfy s GLU 562 Cb 0.20 -3.70 0.53 0.00 2.00 0.00 0.00 34.13 33.16 3mfy s GLU 562 CO 0.49 -0.60 1.67 0.07 -0.56 0.00 0.00 175.26 176.33 3mfy h ARG 563 N 8.01 0.00 -4.95 4.30 0.11 -1.88 -3.43 114.38 116.53 3mfy h ARG 563 Ca -0.25 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.15 3mfy h ARG 563 Cb 1.10 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.00 3mfy h ARG 563 CO 0.86 0.46 0.07 0.34 0.10 0.00 0.00 179.97 181.80 3mfy s ASP 564 N -6.54 6.22 0.49 0.08 -1.08 -1.26 -4.94 116.67 109.64 3mfy s ASP 564 Ca 0.00 -0.96 0.22 0.00 -0.52 0.00 0.00 52.55 51.29 3mfy s ASP 564 Cb 0.11 -2.30 1.26 0.00 -1.46 0.00 0.00 42.92 40.54 3mfy s ASP 564 CO 0.71 -0.93 2.03 0.58 0.52 0.00 0.00 175.17 178.09 3mfy h VAL 565 N 5.87 0.79 -0.04 1.11 2.07 -1.99 -1.39 116.25 122.68 3mfy h VAL 565 Ca -0.28 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3mfy h VAL 565 Cb 1.09 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3mfy h VAL 565 CO 0.98 0.15 -0.50 0.77 0.02 0.00 0.00 177.57 179.00 3mfy h SER 566 N 0.00 0.11 0.08 0.57 4.64 -1.98 0.20 113.55 117.17 3mfy h SER 566 Ca -0.00 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 3mfy h SER 566 Cb 0.35 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3mfy h SER 566 CO 0.02 0.60 -0.37 0.11 -0.87 0.00 0.00 176.83 176.32 3mfy h LYS 567 N 0.08 0.39 -0.21 4.77 1.57 -1.68 -2.40 116.57 119.10 3mfy h LYS 567 Ca 0.00 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3mfy h LYS 567 Cb 0.91 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3mfy h LYS 567 CO 0.07 0.71 -0.10 0.82 -0.57 0.00 0.00 179.45 180.37 3mfy h ILE 568 N 0.33 1.31 -0.56 1.86 2.04 -1.31 -3.04 117.51 118.14 3mfy h ILE 568 Ca 0.04 -1.17 0.10 0.00 1.00 0.00 0.00 64.86 64.82 3mfy h ILE 568 Cb 0.80 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3mfy h ILE 568 CO 0.06 0.36 0.38 -0.09 0.00 0.00 0.00 178.15 178.86 3mfy h ARG 569 N 0.15 0.34 0.00 2.37 2.43 -0.49 -2.00 114.38 117.18 3mfy h ARG 569 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3mfy h ARG 569 Cb 0.60 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3mfy h ARG 569 CO 0.03 0.23 0.00 0.66 -1.51 0.00 0.00 179.97 179.38 3mfy h SER 570 N 0.35 0.00 -0.08 -3.80 4.64 -1.31 -2.31 113.55 111.05 3mfy h SER 570 Ca 0.26 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3mfy h SER 570 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3mfy h SER 570 CO -0.06 0.00 0.16 -0.07 -0.87 0.00 0.00 176.83 175.98 3mfy h LEU 571 N 0.00 0.00 0.05 5.97 3.38 -1.43 -0.75 115.31 122.53 3mfy h LEU 571 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mfy h LEU 571 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3mfy h LEU 571 CO 0.00 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.91 3mfy h ILE 572 N 0.00 1.19 -0.39 1.22 2.04 -1.61 0.58 117.51 120.54 3mfy h ILE 572 Ca 0.04 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3mfy h ILE 572 Cb 0.35 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3mfy h ILE 572 CO -0.00 0.20 0.09 0.44 0.00 0.00 0.00 178.15 178.88 3mfy h ASP 573 N -0.42 0.60 -0.51 1.72 3.32 -1.67 -1.38 116.42 118.07 3mfy h ASP 573 Ca -0.01 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.87 3mfy h ASP 573 Cb 0.38 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3mfy h ASP 573 CO 0.01 0.68 0.34 0.50 -1.72 0.00 0.00 179.24 179.05 3mfy h LYS 574 N 0.49 0.44 0.06 3.56 3.64 -1.11 -1.13 116.57 122.51 3mfy h LYS 574 Ca 0.12 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3mfy h LYS 574 Cb 0.32 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3mfy h LYS 574 CO 0.00 0.29 -0.03 1.15 -2.27 0.00 0.00 179.45 178.59 3mfy h THR 575 N 0.45 1.26 -0.98 1.00 2.02 -0.29 -2.27 112.91 114.11 3mfy h THR 575 Ca 0.22 -1.26 0.20 0.00 0.77 0.00 0.00 66.41 66.35 3mfy h THR 575 Cb 0.30 2.06 -0.11 0.00 -1.74 0.00 0.00 68.15 68.66 3mfy h THR 575 CO -0.06 0.31 0.57 0.78 0.37 0.00 0.00 175.52 177.49 3mfy h ASN 576 N -0.66 0.69 -0.16 4.18 2.35 -0.97 -1.23 115.58 119.78 3mfy h ASN 576 Ca -0.01 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 3mfy h ASN 576 Cb 0.56 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3mfy h ASN 576 CO 0.01 0.20 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.40 3mfy h GLU 577 N 0.67 0.46 -0.52 0.81 5.08 -1.18 -1.90 114.58 118.01 3mfy h GLU 577 Ca 0.58 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 3mfy h GLU 577 Cb 0.97 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3mfy h GLU 577 CO -0.42 0.88 -0.06 1.96 -1.00 0.00 0.00 179.01 180.38 3mfy h GLN 578 N 0.09 0.92 -0.55 2.33 4.20 -0.98 -2.17 115.11 118.95 3mfy h GLN 578 Ca 0.01 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3mfy h GLN 578 Cb 0.85 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 3mfy h GLN 578 CO 0.06 0.95 0.31 0.74 -0.67 0.00 0.00 178.83 180.22 3mfy h PHE 579 N 0.84 0.72 -0.27 2.96 -1.00 -1.23 -2.50 116.94 116.46 3mfy h PHE 579 Ca 0.14 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 3mfy h PHE 579 Cb 0.58 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3mfy h PHE 579 CO 0.04 0.50 0.16 0.93 -1.61 0.00 0.00 178.31 178.33 3mfy h GLU 580 N 0.75 0.37 0.00 1.51 4.39 -0.73 0.32 114.58 121.20 3mfy h GLU 580 Ca 0.20 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3mfy h GLU 580 Cb 0.00 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3mfy h GLU 580 CO -0.03 0.29 -0.01 0.93 -1.16 0.00 0.00 179.01 179.03 3mfy h GLU 581 N 0.34 0.00 0.13 2.33 5.08 -1.22 0.51 114.58 121.75 3mfy h GLU 581 Ca 0.10 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 3mfy h GLU 581 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3mfy h GLU 581 CO -0.02 0.01 -1.48 1.25 -1.00 0.00 0.00 179.01 177.77 3mfy h LEU 582 N 0.00 0.42 -0.31 1.33 5.85 -0.80 -2.93 115.31 118.87 3mfy h LEU 582 Ca -0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 3mfy h LEU 582 Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3mfy h LEU 582 CO 0.00 1.44 0.10 -0.26 -0.34 0.00 0.00 178.44 179.39 3mfy h PHE 583 N 0.07 0.49 -0.36 1.25 0.05 0.15 -2.84 116.94 115.76 3mfy h PHE 583 Ca -0.22 -0.05 0.02 0.00 3.82 0.00 0.00 57.97 61.54 3mfy h PHE 583 Cb 2.01 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 39.80 3mfy h PHE 583 CO 0.07 0.50 0.24 0.87 -0.18 0.00 0.00 178.31 179.80 3mfy h LYS 584 N 0.35 0.41 0.00 1.51 1.57 -1.04 -0.22 116.57 119.15 3mfy h LYS 584 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mfy h LYS 584 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3mfy h LYS 584 CO -0.00 0.27 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.90 3mfy h LYS 585 N 0.43 0.00 -0.00 3.15 3.11 -1.34 -3.22 116.57 118.69 3mfy h LYS 585 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 3mfy h LYS 585 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3mfy h LYS 585 CO -0.03 0.00 -0.01 0.66 -2.81 0.00 0.00 179.45 177.26 3mfy n TYR 586 N -2.51 0.00 -1.10 1.91 4.01 -1.05 -4.95 117.16 113.47 3mfy n TYR 586 Ca 0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 3mfy n TYR 586 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 3mfy n TYR 586 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mfy n GLY 587 N 0.30 0.37 0.00 2.72 0.00 -0.16 -5.06 105.19 103.36 3mfy n GLY 587 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3mfy n GLY 587 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32