#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3k n ARG 4 N 0.00 2.73 -1.92 1.20 0.63 -1.26 -4.86 116.66 113.18 3g3k n ARG 4 Ca 0.00 0.97 -0.38 0.00 -0.92 0.00 0.00 57.85 57.52 3g3k n ARG 4 Cb 0.00 -2.76 0.02 0.00 0.45 0.00 0.00 32.46 30.18 3g3k n ARG 4 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3g3k s SER 5 N 0.45 5.58 0.18 6.15 1.04 -1.26 -4.69 113.70 121.15 3g3k s SER 5 Ca 0.63 2.64 -0.27 0.00 0.48 0.00 0.00 55.95 59.43 3g3k s SER 5 Cb -0.49 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 62.93 3g3k s SER 5 CO 0.50 -1.35 0.84 -0.76 0.98 0.00 0.00 173.24 173.46 3g3k s LEU 6 N -3.31 4.60 -0.20 2.42 1.43 0.22 -4.87 118.68 118.97 3g3k s LEU 6 Ca 0.68 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 3g3k s LEU 6 Cb -0.37 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 3g3k s LEU 6 CO 0.45 0.16 0.76 -0.63 0.23 0.00 0.00 176.35 177.32 3g3k s ILE 7 N -0.99 4.91 -0.29 -0.59 -1.09 -1.26 -0.62 121.20 121.28 3g3k s ILE 7 Ca 0.39 1.46 -0.05 0.00 -2.23 0.00 0.00 60.65 60.22 3g3k s ILE 7 Cb -0.24 -4.06 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3g3k s ILE 7 CO 0.28 0.02 0.03 -0.69 -1.23 0.00 0.00 174.94 173.36 3g3k s VAL 8 N 2.30 3.54 0.22 2.92 1.01 -0.20 -0.39 120.40 129.80 3g3k s VAL 8 Ca 0.34 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3g3k s VAL 8 Cb -0.16 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 3g3k s VAL 8 CO 0.10 0.07 0.79 0.28 0.00 0.00 0.00 175.10 176.34 3g3k s THR 9 N 1.41 4.42 0.24 3.92 -1.32 -0.07 -0.81 115.64 123.44 3g3k s THR 9 Ca 0.01 1.54 -0.04 0.00 -1.21 0.00 0.00 61.69 61.99 3g3k s THR 9 Cb -0.17 -3.99 0.02 0.00 -1.51 0.00 0.00 72.50 66.84 3g3k s THR 9 CO 0.00 0.30 0.39 1.07 -2.21 0.00 0.00 174.62 174.17 3g3k n THR 10 N 0.99 0.00 -3.76 5.08 5.66 -0.99 -1.91 114.28 119.35 3g3k n THR 10 Ca -0.03 -1.04 -0.13 0.00 -3.05 0.00 0.00 64.05 59.80 3g3k n THR 10 Cb 0.50 0.71 -0.09 0.00 -1.55 0.00 0.00 70.33 69.90 3g3k n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3k s ILE 11 N -2.61 0.05 0.00 1.09 2.07 -1.26 -0.77 121.20 119.77 3g3k s ILE 11 Ca 0.17 -0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 58.73 3g3k s ILE 11 Cb -0.01 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 3g3k s ILE 11 CO 0.12 -0.21 1.23 -0.76 -1.91 0.00 0.00 174.94 173.41 3g3k s LEU 12 N -0.99 4.32 -0.30 8.50 1.43 -1.26 -4.61 118.68 125.77 3g3k s LEU 12 Ca -0.11 1.95 -0.05 0.00 -1.03 0.00 0.00 54.13 54.89 3g3k s LEU 12 Cb -0.05 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.79 3g3k s LEU 12 CO 0.03 -0.55 0.75 -0.70 0.23 0.00 0.00 176.35 176.11 3g3k s GLU 13 N 1.74 0.44 0.25 1.70 2.56 -0.19 -4.98 118.70 120.21 3g3k s GLU 13 Ca 0.58 0.79 -0.30 0.00 0.00 0.00 0.00 54.97 56.04 3g3k s GLU 13 Cb -0.28 0.44 -0.09 0.00 2.00 0.00 0.00 34.13 36.20 3g3k s GLU 13 CO 0.26 -0.48 1.29 -1.21 -0.56 0.00 0.00 175.26 174.56 3g3k s GLU 14 N 2.89 4.41 -0.19 4.30 2.02 -1.25 -0.72 118.70 130.15 3g3k s GLU 14 Ca 0.13 2.07 0.15 0.00 0.02 0.00 0.00 54.97 57.35 3g3k s GLU 14 Cb -0.13 -3.16 0.79 0.00 0.10 0.00 0.00 34.13 31.72 3g3k s GLU 14 CO -0.18 -0.18 1.70 -0.35 0.02 0.00 0.00 175.26 176.27 3g3k n PRO 15 N 1.95 4.49 -0.02 0.39 -0.04 -1.26 -4.91 135.00 135.59 3g3k n PRO 15 Ca 0.04 -3.04 -0.15 0.00 -0.04 0.00 0.00 63.50 60.30 3g3k n PRO 15 Cb 0.43 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3g3k n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3k h TYR 16 N 4.03 0.41 -2.87 0.54 0.05 -1.27 -1.25 116.97 116.62 3g3k h TYR 16 Ca 0.00 -0.20 -0.23 0.00 0.05 0.00 0.00 58.73 58.36 3g3k h TYR 16 Cb 1.79 -0.06 -0.33 0.00 1.01 0.00 0.00 36.73 39.15 3g3k h TYR 16 CO 0.98 0.96 -0.55 0.08 -1.05 0.00 0.00 178.16 178.58 3g3k s VAL 17 N -3.46 -0.40 0.04 -2.88 1.01 -0.42 -0.67 120.40 113.63 3g3k s VAL 17 Ca -0.15 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3g3k s VAL 17 Cb 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3g3k s VAL 17 CO 0.77 0.11 -0.02 -0.76 0.00 0.00 0.00 175.10 175.20 3g3k s LEU 18 N 2.40 2.37 0.02 3.92 1.02 0.23 -1.02 118.68 127.62 3g3k s LEU 18 Ca 0.02 -0.84 -0.30 0.00 0.02 0.00 0.00 54.13 53.02 3g3k s LEU 18 Cb -0.12 0.22 -0.04 0.00 0.02 0.00 0.00 46.19 46.26 3g3k s LEU 18 CO -0.08 -0.53 1.13 -0.36 0.02 0.00 0.00 176.35 176.53 3g3k s PHE 19 N -3.25 3.46 0.43 0.29 2.99 -1.26 -1.03 117.98 119.61 3g3k s PHE 19 Ca 0.01 1.41 -0.26 0.00 0.00 0.00 0.00 56.93 58.09 3g3k s PHE 19 Cb 0.03 -3.33 -0.09 0.00 0.00 0.00 0.00 43.02 39.63 3g3k s PHE 19 CO -0.08 -0.88 1.46 1.63 -0.00 0.00 0.00 175.22 177.36 3g3k n LYS 20 N 4.17 2.42 -2.81 0.44 5.02 -0.13 -4.89 118.16 122.39 3g3k n LYS 20 Ca 0.08 0.86 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 3g3k n LYS 20 Cb 0.48 -2.66 -0.04 0.00 -0.02 0.00 0.00 35.03 32.79 3g3k n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3k s LYS 21 N -2.34 4.54 -0.07 1.97 1.02 -1.26 -4.99 119.74 118.60 3g3k s LYS 21 Ca 0.58 1.28 -0.31 0.00 0.02 0.00 0.00 55.97 57.54 3g3k s LYS 21 Cb -0.45 -3.44 0.08 0.00 -0.52 0.00 0.00 37.83 33.49 3g3k s LYS 21 CO 0.60 0.02 0.72 0.45 -0.92 0.00 0.00 175.35 176.22 3g3k s SER 22 N 0.79 -0.63 0.14 2.83 0.15 -1.26 -5.03 113.70 110.68 3g3k s SER 22 Ca 0.47 0.72 0.11 0.00 0.70 0.00 0.00 55.95 57.95 3g3k s SER 22 Cb -0.20 0.56 -0.13 0.00 -1.71 0.00 0.00 66.02 64.53 3g3k s SER 22 CO 0.26 -0.56 1.19 0.44 1.20 0.00 0.00 173.24 175.77 3g3k h ASP 23 N 3.05 0.00 -3.51 5.45 3.32 -2.07 -3.45 116.42 119.21 3g3k h ASP 23 Ca -0.26 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.26 3g3k h ASP 23 Cb 1.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3g3k h ASP 23 CO 0.36 0.82 0.01 -1.59 -1.72 0.00 0.00 179.24 177.12 3g3k s LYS 24 N -2.79 4.04 0.47 3.56 -2.85 -1.26 -5.04 119.74 115.88 3g3k s LYS 24 Ca 0.01 0.61 -0.24 0.00 -1.00 0.00 0.00 55.97 55.35 3g3k s LYS 24 Cb 0.09 -2.76 -0.07 0.00 -2.06 0.00 0.00 37.83 33.03 3g3k s LYS 24 CO 0.80 0.35 1.32 -1.25 0.10 0.00 0.00 175.35 176.67 3g3k s PRO 25 N -2.33 3.58 0.17 1.78 0.04 -1.26 -5.03 135.00 131.95 3g3k s PRO 25 Ca 0.45 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.71 3g3k s PRO 25 Cb -0.14 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3g3k s PRO 25 CO 0.20 -0.81 -0.03 -0.51 0.04 0.00 0.00 177.00 175.88 3g3k s LEU 26 N -2.99 3.21 0.06 -3.56 1.43 -1.26 -5.13 118.68 110.44 3g3k s LEU 26 Ca 0.64 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3g3k s LEU 26 Cb -0.38 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3g3k s LEU 26 CO 0.47 0.10 -0.14 -0.31 0.23 0.00 0.00 176.35 176.71 3g3k s TYR 27 N -1.66 1.19 0.00 0.29 2.02 -1.26 -4.79 117.35 113.14 3g3k s TYR 27 Ca 0.26 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3g3k s TYR 27 Cb -0.09 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 3g3k s TYR 27 CO 0.17 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 3g3k n GLY 28 N 1.53 2.93 0.27 0.71 0.00 -1.26 -2.30 105.19 107.07 3g3k n GLY 28 Ca -0.20 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.67 3g3k n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3k h ASN 29 N 6.50 0.00 0.42 1.61 2.35 -1.93 -2.28 115.58 122.25 3g3k h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3k h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3k h ASN 29 CO 0.00 0.10 0.00 -0.67 -1.65 0.00 0.00 177.43 175.21 3g3k n ASP 30 N -3.51 0.12 0.28 5.81 2.03 -0.97 -2.41 116.55 117.89 3g3k n ASP 30 Ca -0.02 0.53 0.17 0.00 0.52 0.00 0.00 54.79 56.00 3g3k n ASP 30 Cb 0.24 -0.56 0.67 0.00 -0.72 0.00 0.00 41.12 40.76 3g3k n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3k h ARG 31 N 0.00 0.00 -6.54 -0.67 3.08 -1.51 -3.45 114.38 105.29 3g3k h ARG 31 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3g3k h ARG 31 Cb 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.09 3g3k h ARG 31 CO 0.00 0.00 -0.75 -0.06 -1.07 0.00 0.00 179.97 178.09 3g3k s PHE 32 N -3.65 2.71 0.24 3.04 0.08 -1.01 -0.95 117.98 118.44 3g3k s PHE 32 Ca 0.01 -0.16 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 3g3k s PHE 32 Cb 0.09 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3g3k s PHE 32 CO 0.54 0.39 0.36 -1.83 -0.10 0.00 0.00 175.22 174.58 3g3k s GLU 33 N -1.99 1.47 0.00 0.44 -1.05 -0.19 -4.80 118.70 112.58 3g3k s GLU 33 Ca 0.20 -1.44 0.00 0.00 -0.15 0.00 0.00 54.97 53.57 3g3k s GLU 33 Cb -0.11 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3g3k s GLU 33 CO 0.11 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.16 3g3k n GLY 34 N -0.37 1.93 0.20 -3.83 0.00 -1.26 -0.60 105.19 101.26 3g3k n GLY 34 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 3g3k n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3k h TYR 35 N 0.00 0.22 0.00 1.61 3.20 -0.87 -0.40 116.97 120.74 3g3k h TYR 35 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3g3k h TYR 35 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3g3k h TYR 35 CO 0.00 0.03 -0.40 0.00 -1.64 0.00 0.00 178.16 176.16 3g3k h ILE 37 N 0.00 1.28 -0.73 0.00 1.08 -1.42 -0.01 117.51 117.71 3g3k h ILE 37 Ca -0.00 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.17 3g3k h ILE 37 Cb 0.86 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 3g3k h ILE 37 CO 0.05 0.42 0.40 0.44 -0.69 0.00 0.00 178.15 178.78 3g3k h ASP 38 N 0.56 0.90 -0.26 1.72 3.32 -0.81 -0.66 116.42 121.18 3g3k h ASP 38 Ca 0.08 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3g3k h ASP 38 Cb 0.71 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3g3k h ASP 38 CO 0.05 0.72 -0.04 0.25 -1.72 0.00 0.00 179.24 178.50 3g3k h LEU 39 N 1.01 0.49 -0.59 1.55 5.85 -1.03 -1.61 115.31 120.98 3g3k h LEU 39 Ca 0.26 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3g3k h LEU 39 Cb 0.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3g3k h LEU 39 CO -0.04 0.72 0.36 0.25 -0.34 0.00 0.00 178.44 179.40 3g3k h LEU 40 N 0.25 0.59 -0.51 2.25 5.85 -0.73 0.97 115.31 123.98 3g3k h LEU 40 Ca 0.07 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3g3k h LEU 40 Cb 0.50 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3g3k h LEU 40 CO 0.02 0.41 0.30 0.03 -0.34 0.00 0.00 178.44 178.87 3g3k h ARG 41 N 0.72 0.58 -0.60 1.25 3.08 -0.89 -0.25 114.38 118.27 3g3k h ARG 41 Ca 0.24 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3g3k h ARG 41 Cb 0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3g3k h ARG 41 CO -0.10 0.38 0.26 0.93 -1.07 0.00 0.00 179.97 180.37 3g3k h GLU 42 N 0.60 0.89 -0.84 0.04 4.39 -0.56 -2.01 114.58 117.08 3g3k h GLU 42 Ca 0.21 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3g3k h GLU 42 Cb 0.03 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 3g3k h GLU 42 CO -0.10 0.74 0.49 -0.07 -1.16 0.00 0.00 179.01 178.91 3g3k h LEU 43 N 0.83 1.02 -0.79 1.33 3.38 -0.35 -1.58 115.31 119.16 3g3k h LEU 43 Ca 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3g3k h LEU 43 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3g3k h LEU 43 CO -0.02 0.80 0.42 -1.28 0.09 0.00 0.00 178.44 178.45 3g3k h SER 44 N 1.16 0.99 -0.17 -0.43 0.87 -0.77 0.19 113.55 115.39 3g3k h SER 44 Ca 0.30 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 3g3k h SER 44 Cb -0.02 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3g3k h SER 44 CO -0.05 0.81 -0.24 0.74 -0.53 0.00 0.00 176.83 177.56 3g3k h THR 45 N 1.09 1.34 -0.02 2.23 2.02 -1.21 0.17 112.91 118.54 3g3k h THR 45 Ca 0.28 -1.44 -0.17 0.00 0.77 0.00 0.00 66.41 65.84 3g3k h THR 45 Cb 0.05 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3g3k h THR 45 CO -0.04 0.43 -0.77 0.45 0.37 0.00 0.00 175.52 175.96 3g3k h HIS 46 N 0.11 0.24 0.00 3.16 -0.00 -1.17 -3.27 115.15 114.22 3g3k h HIS 46 Ca 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 3g3k h HIS 46 Cb 0.80 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 3g3k h HIS 46 CO 0.09 0.87 -1.27 1.28 -0.00 0.00 0.00 177.93 178.90 3g3k n LEU 47 N -3.72 0.59 -1.78 2.43 4.32 0.05 -5.02 117.00 113.87 3g3k n LEU 47 Ca -0.03 -0.19 -0.04 0.00 -0.02 0.00 0.00 56.01 55.73 3g3k n LEU 47 Cb 0.73 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 42.52 3g3k n LEU 47 CO 0.46 0.11 0.02 0.61 -1.22 0.00 0.00 177.39 177.37 3g3k n GLY 48 N 1.39 0.31 3.20 -0.72 0.00 -0.01 -5.04 105.19 104.31 3g3k n GLY 48 Ca 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3g3k n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3k s PHE 49 N -3.10 1.13 0.30 1.61 -0.12 -0.85 -5.05 117.98 111.91 3g3k s PHE 49 Ca 0.06 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.31 3g3k s PHE 49 Cb -0.01 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.75 3g3k s PHE 49 CO 0.19 0.02 0.29 0.95 -0.05 0.00 0.00 175.22 176.62 3g3k s THR 50 N -2.79 3.97 0.14 -4.49 -4.23 -1.26 -4.63 115.64 102.36 3g3k s THR 50 Ca 0.10 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3g3k s THR 50 Cb -0.01 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.55 3g3k s THR 50 CO -0.00 -0.24 0.42 -0.72 -0.54 0.00 0.00 174.62 173.55 3g3k s TYR 51 N -2.22 -0.15 -0.09 3.99 -0.85 -1.26 -0.61 117.35 116.17 3g3k s TYR 51 Ca 0.38 -0.18 -0.00 0.00 -0.52 0.00 0.00 57.07 56.75 3g3k s TYR 51 Cb -0.07 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.57 3g3k s TYR 51 CO 0.27 -0.76 -0.05 -1.21 -1.52 0.00 0.00 175.55 172.28 3g3k s GLU 52 N -3.83 1.14 0.04 -3.49 0.41 0.21 -4.85 118.70 108.34 3g3k s GLU 52 Ca 0.05 -0.13 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 3g3k s GLU 52 Cb 0.01 -1.26 -0.04 0.00 -1.78 0.00 0.00 34.13 31.06 3g3k s GLU 52 CO -0.09 -0.22 0.95 0.42 -0.49 0.00 0.00 175.26 175.82 3g3k s ILE 53 N 1.58 4.72 -0.05 -1.63 1.01 -1.26 -1.04 121.20 124.53 3g3k s ILE 53 Ca 0.01 2.01 -0.00 0.00 0.00 0.00 0.00 60.65 62.66 3g3k s ILE 53 Cb -0.13 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.07 3g3k s ILE 53 CO -0.05 0.24 -0.01 -0.13 0.00 0.00 0.00 174.94 174.99 3g3k s ARG 54 N 0.53 0.58 0.27 2.79 0.52 0.01 -4.87 118.95 118.77 3g3k s ARG 54 Ca 0.48 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.45 3g3k s ARG 54 Cb -0.22 -0.81 -0.10 0.00 0.52 0.00 0.00 34.95 34.34 3g3k s ARG 54 CO 0.28 -0.21 1.46 -0.51 0.02 0.00 0.00 175.30 176.34 3g3k s LEU 55 N 1.48 4.38 0.12 2.53 1.43 -1.26 -2.34 118.68 125.02 3g3k s LEU 55 Ca -0.03 2.73 -0.33 0.00 -1.03 0.00 0.00 54.13 55.47 3g3k s LEU 55 Cb -0.13 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 3g3k s LEU 55 CO -0.03 -0.73 1.68 0.55 0.23 0.00 0.00 176.35 178.05 3g3k n VAL 56 N 2.13 0.15 0.11 -1.59 3.14 0.05 -4.86 118.33 117.46 3g3k n VAL 56 Ca 0.06 -0.03 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 3g3k n VAL 56 Cb 0.40 -1.72 0.23 0.00 -1.06 0.00 0.00 33.84 31.68 3g3k n VAL 56 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 3g3k h GLU 57 N 6.95 0.19 -0.00 1.45 4.11 -1.91 -2.36 114.58 123.01 3g3k h GLU 57 Ca -0.46 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.88 3g3k h GLU 57 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3g3k h GLU 57 CO 0.91 0.60 -0.06 -0.40 0.07 0.00 0.00 179.01 180.13 3g3k n ASP 58 N -4.01 0.38 -0.50 3.06 5.68 -1.26 -4.93 116.55 114.98 3g3k n ASP 58 Ca -0.02 -0.67 -0.06 0.00 -0.50 0.00 0.00 54.79 53.54 3g3k n ASP 58 Cb 0.49 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3g3k n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3k n GLY 59 N 1.21 0.85 3.43 6.12 0.00 -0.89 -4.97 105.19 110.95 3g3k n GLY 59 Ca 0.17 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3g3k n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3k s LYS 60 N -2.24 1.57 -0.09 1.61 1.02 -1.26 -5.00 119.74 115.35 3g3k s LYS 60 Ca 0.00 -1.69 -0.12 0.00 0.02 0.00 0.00 55.97 54.19 3g3k s LYS 60 Cb 0.00 -1.64 -0.09 0.00 -0.52 0.00 0.00 37.83 35.58 3g3k s LYS 60 CO 0.00 0.31 0.41 1.88 -0.92 0.00 0.00 175.35 177.03 3g3k h TYR 61 N 2.50 -0.12 0.00 3.18 0.05 -1.88 -2.34 116.97 118.36 3g3k h TYR 61 Ca -0.41 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.37 3g3k h TYR 61 Cb 1.24 0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3g3k h TYR 61 CO 0.77 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 178.47 3g3k n GLY 62 N 1.31 3.98 3.29 3.88 0.00 -0.46 -1.24 105.19 115.96 3g3k n GLY 62 Ca -0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3g3k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3k s ALA 63 N 0.00 -0.08 -0.14 4.61 0.00 -1.23 -4.62 121.76 120.30 3g3k s ALA 63 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3g3k s ALA 63 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3g3k s ALA 63 CO 0.00 -0.60 0.35 -1.14 0.00 0.00 0.00 175.76 174.37 3g3k s GLN 64 N -3.93 4.25 0.14 0.00 0.74 -1.26 -2.33 119.66 117.27 3g3k s GLN 64 Ca 0.13 0.21 -0.31 0.00 0.05 0.00 0.00 55.36 55.44 3g3k s GLN 64 Cb 0.04 -3.42 -0.08 0.00 1.10 0.00 0.00 33.01 30.65 3g3k s GLN 64 CO -0.04 0.24 1.40 0.34 -0.55 0.00 0.00 175.29 176.68 3g3k s ASP 65 N 0.42 6.80 0.04 6.67 -1.08 0.52 -4.90 116.67 125.14 3g3k s ASP 65 Ca 0.20 2.38 0.24 0.00 -0.52 0.00 0.00 52.55 54.85 3g3k s ASP 65 Cb -0.14 -2.59 0.99 0.00 -1.46 0.00 0.00 42.92 39.72 3g3k s ASP 65 CO 0.06 -0.66 1.76 -0.90 0.52 0.00 0.00 175.17 175.95 3g3k n ASP 66 N 3.68 0.13 -0.10 -0.34 5.68 -1.26 -2.07 116.55 122.27 3g3k n ASP 66 Ca 0.11 0.52 -0.22 0.00 -0.50 0.00 0.00 54.79 54.70 3g3k n ASP 66 Cb 0.42 -0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 39.77 3g3k n ASP 66 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3g3k n VAL 67 N -1.63 1.25 0.99 2.12 0.24 -1.26 -4.76 118.33 115.27 3g3k n VAL 67 Ca 0.05 -0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 3g3k n VAL 67 Cb 0.29 -1.86 0.06 0.00 -1.47 0.00 0.00 33.84 30.86 3g3k n VAL 67 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3g3k n ASN 68 N -4.03 2.58 0.00 -1.34 0.23 -1.25 -4.98 115.26 106.47 3g3k n ASN 68 Ca -0.39 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 3g3k n ASN 68 Cb 0.76 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 3g3k n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3k n GLY 69 N 1.36 0.43 3.78 4.83 0.00 -0.88 -4.99 105.19 109.72 3g3k n GLY 69 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3g3k n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3k s GLN 70 N -0.65 4.58 0.52 1.61 -1.52 -1.26 -4.67 119.66 118.27 3g3k s GLN 70 Ca 0.00 1.29 -0.07 0.00 -1.95 0.00 0.00 55.36 54.63 3g3k s GLN 70 Cb 0.00 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 3g3k s GLN 70 CO 0.00 0.33 0.86 -1.58 -0.25 0.00 0.00 175.29 174.64 3g3k s TRP 71 N -1.55 3.57 0.00 0.91 0.52 -1.26 -0.36 118.94 120.78 3g3k s TRP 71 Ca 0.48 0.98 0.00 0.00 0.02 0.00 0.00 56.10 57.58 3g3k s TRP 71 Cb -0.19 -2.44 -0.00 0.00 -1.15 0.00 0.00 33.47 29.69 3g3k s TRP 71 CO 0.24 -0.38 0.00 0.27 0.02 0.00 0.00 176.95 177.10 3g3k n ASN 72 N -2.31 1.27 0.00 2.95 0.23 -0.98 -4.72 115.26 111.70 3g3k n ASN 72 Ca 0.02 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 3g3k n ASN 72 Cb 0.55 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 3g3k n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3k n GLY 73 N 3.13 0.12 0.28 4.83 0.00 -1.26 -2.04 105.19 110.25 3g3k n GLY 73 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3g3k n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3k h MET 74 N 0.00 0.55 -0.40 1.61 2.86 -0.59 -2.39 114.93 116.57 3g3k h MET 74 Ca 0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3g3k h MET 74 Cb 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3g3k h MET 74 CO 0.00 0.54 0.25 0.28 1.06 0.00 0.00 176.91 179.04 3g3k h VAL 75 N 0.54 1.12 -0.64 -2.22 2.07 -1.55 -2.21 116.25 113.36 3g3k h VAL 75 Ca 0.12 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3g3k h VAL 75 Cb 0.27 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3g3k h VAL 75 CO 0.00 0.12 0.21 -0.09 0.02 0.00 0.00 177.57 177.83 3g3k h ARG 76 N 0.54 0.97 -0.68 1.57 9.65 -0.96 -0.85 114.38 124.61 3g3k h ARG 76 Ca 0.15 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3g3k h ARG 76 Cb -0.02 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 3g3k h ARG 76 CO -0.03 0.83 0.44 0.93 2.80 0.00 0.00 179.97 184.94 3g3k h GLU 77 N 0.94 0.90 -0.06 0.20 5.08 -1.03 -0.94 114.58 119.68 3g3k h GLU 77 Ca 0.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3g3k h GLU 77 Cb 0.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3g3k h GLU 77 CO -0.01 0.61 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.40 3g3k h LEU 78 N 0.93 0.22 -1.00 1.33 3.38 -0.82 0.18 115.31 119.54 3g3k h LEU 78 Ca 0.25 -0.58 0.16 0.00 0.09 0.00 0.00 57.88 57.80 3g3k h LEU 78 Cb -0.09 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 3g3k h LEU 78 CO -0.05 0.77 0.61 0.40 0.09 0.00 0.00 178.44 180.25 3g3k h ILE 79 N -0.31 0.79 -0.10 1.22 2.04 -0.87 -1.25 117.51 119.04 3g3k h ILE 79 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3g3k h ILE 79 Cb 0.73 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3g3k h ILE 79 CO 0.03 0.15 0.00 0.47 0.00 0.00 0.00 178.15 178.80 3g3k n ASP 80 N -4.72 1.30 -2.20 1.72 8.00 -0.38 -4.90 116.55 115.36 3g3k n ASP 80 Ca 0.21 -1.58 -0.19 0.00 0.71 0.00 0.00 54.79 53.95 3g3k n ASP 80 Cb 0.48 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.52 3g3k n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3k n HIS 81 N 0.06 -0.99 0.47 1.24 8.25 -0.47 -4.88 115.22 118.90 3g3k n HIS 81 Ca 0.17 0.05 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 3g3k n HIS 81 Cb 0.29 -3.73 0.18 0.00 1.12 0.00 0.00 29.99 27.85 3g3k n HIS 81 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3g3k h LYS 82 N -0.13 0.00 -4.93 -0.41 1.57 -1.20 -3.45 116.57 108.01 3g3k h LYS 82 Ca -0.45 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.98 3g3k h LYS 82 Cb 1.33 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.42 3g3k h LYS 82 CO 0.52 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 178.65 3g3k s ALA 83 N -3.19 0.86 -0.00 3.86 0.00 -1.11 -4.96 121.76 117.22 3g3k s ALA 83 Ca 0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3g3k s ALA 83 Cb 0.12 -0.05 -0.29 0.00 0.00 0.00 0.00 23.12 22.90 3g3k s ALA 83 CO 0.71 0.09 0.83 -0.44 0.00 0.00 0.00 175.76 176.95 3g3k h ASP 84 N 4.57 0.46 -4.84 0.00 3.32 -1.04 -3.43 116.42 115.46 3g3k h ASP 84 Ca -0.37 -0.64 -0.23 0.00 0.02 0.00 0.00 57.03 55.80 3g3k h ASP 84 Cb 1.19 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 3g3k h ASP 84 CO 0.41 1.53 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.98 3g3k s LEU 85 N -7.08 2.27 -0.25 1.55 1.43 -0.96 -4.25 118.68 111.38 3g3k s LEU 85 Ca -0.10 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3g3k s LEU 85 Cb 0.06 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.24 3g3k s LEU 85 CO 0.86 -0.26 -0.03 0.00 0.23 0.00 0.00 176.35 177.15 3g3k s ALA 86 N -1.56 2.78 -0.34 4.21 0.00 0.11 -0.89 121.76 126.08 3g3k s ALA 86 Ca -0.11 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.45 3g3k s ALA 86 Cb -0.09 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.35 3g3k s ALA 86 CO -0.01 -0.78 0.05 0.08 0.00 0.00 0.00 175.76 175.10 3g3k s VAL 87 N 1.38 2.49 0.11 0.00 1.01 -0.80 -1.57 120.40 123.02 3g3k s VAL 87 Ca 0.01 -2.11 -0.25 0.00 0.00 0.00 0.00 61.98 59.63 3g3k s VAL 87 Cb -0.16 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.58 3g3k s VAL 87 CO -0.03 -0.48 1.08 0.00 0.00 0.00 0.00 175.10 175.67 3g3k s ALA 88 N 1.00 -1.82 -1.39 5.51 0.00 -1.26 -4.57 121.76 119.23 3g3k s ALA 88 Ca 0.06 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3g3k s ALA 88 Cb -0.20 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.58 3g3k s ALA 88 CO -0.06 -1.06 2.22 -0.35 0.00 0.00 0.00 175.76 176.50 3g3k n PRO 89 N -0.59 2.73 -3.46 0.00 -0.04 -1.26 -4.76 135.00 127.62 3g3k n PRO 89 Ca -0.05 -2.51 -0.43 0.00 -0.04 0.00 0.00 63.50 60.47 3g3k n PRO 89 Cb 0.61 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.73 3g3k n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3k s LEU 90 N 2.04 5.15 0.20 1.53 2.96 -1.26 -5.04 118.68 124.27 3g3k s LEU 90 Ca 0.49 -0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 3g3k s LEU 90 Cb 0.14 -2.15 -0.09 0.00 0.50 0.00 0.00 46.19 44.59 3g3k s LEU 90 CO -0.07 -0.47 1.35 0.00 -1.32 0.00 0.00 176.35 175.84 3g3k s ALA 91 N 1.67 3.56 -0.21 5.97 0.00 -1.26 -2.12 121.76 129.36 3g3k s ALA 91 Ca 0.05 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 3g3k s ALA 91 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3g3k s ALA 91 CO 0.09 -0.60 1.09 0.42 0.00 0.00 0.00 175.76 176.76 3g3k s ILE 92 N 0.20 4.59 0.07 0.00 1.01 -0.07 -4.89 121.20 122.11 3g3k s ILE 92 Ca 0.58 1.92 0.00 0.00 0.00 0.00 0.00 60.65 63.16 3g3k s ILE 92 Cb -0.38 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 3g3k s ILE 92 CO 0.38 -0.17 -0.05 0.42 0.00 0.00 0.00 174.94 175.53 3g3k s THR 93 N 3.25 0.43 0.15 2.92 -4.23 -1.26 -4.53 115.64 112.36 3g3k s THR 93 Ca 0.46 -1.70 -0.22 0.00 -1.18 0.00 0.00 61.69 59.05 3g3k s THR 93 Cb -0.17 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.33 3g3k s THR 93 CO 0.08 -0.84 1.64 0.22 -0.54 0.00 0.00 174.62 175.18 3g3k h TYR 94 N 3.36 -0.58 -0.24 3.99 3.20 -1.98 -0.15 116.97 124.57 3g3k h TYR 94 Ca -0.34 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.49 3g3k h TYR 94 Cb 1.16 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 3g3k h TYR 94 CO 0.58 -0.30 -0.15 -0.39 -1.64 0.00 0.00 178.16 176.26 3g3k h VAL 95 N -0.23 1.22 -0.19 1.81 -1.51 -2.00 -2.11 116.25 113.25 3g3k h VAL 95 Ca 0.13 -0.99 -0.16 0.00 -1.23 0.00 0.00 66.70 64.46 3g3k h VAL 95 Cb 0.43 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3g3k h VAL 95 CO -0.36 0.32 -0.50 0.03 -1.23 0.00 0.00 177.57 175.83 3g3k h ARG 96 N 0.38 0.67 0.00 5.19 3.08 -1.87 -3.18 114.38 118.65 3g3k h ARG 96 Ca 0.07 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3g3k h ARG 96 Cb 0.48 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3g3k h ARG 96 CO 0.03 1.09 0.00 1.49 -1.07 0.00 0.00 179.97 181.51 3g3k h GLU 97 N 0.36 0.00 0.00 0.04 4.57 -0.70 0.11 114.58 118.96 3g3k h GLU 97 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3g3k h GLU 97 Cb 1.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3g3k h GLU 97 CO 0.11 0.00 -0.16 0.93 -1.18 0.00 0.00 179.01 178.70 3g3k h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.36 -3.37 114.58 116.85 3g3k h GLU 98 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3g3k h GLU 98 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3g3k h GLU 98 CO 0.00 0.16 -1.05 1.33 -1.00 0.00 0.00 179.01 178.45 3g3k n VAL 99 N -3.70 0.04 -4.46 3.13 0.24 -0.39 -5.06 118.33 108.14 3g3k n VAL 99 Ca -0.02 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.34 62.03 3g3k n VAL 99 Cb 0.28 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.09 3g3k n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3k s ILE 100 N -2.04 1.35 0.14 1.34 -4.36 -0.11 -4.34 121.20 113.18 3g3k s ILE 100 Ca -0.00 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 3g3k s ILE 100 Cb 0.00 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 3g3k s ILE 100 CO 0.04 -0.06 0.20 -1.81 0.24 0.00 0.00 174.94 173.54 3g3k s ASP 101 N -3.50 5.93 0.04 4.36 1.01 -0.50 -4.26 116.67 119.76 3g3k s ASP 101 Ca 0.35 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.70 3g3k s ASP 101 Cb 0.08 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.30 3g3k s ASP 101 CO 0.15 0.08 -0.14 -0.36 0.21 0.00 0.00 175.17 175.11 3g3k s PHE 102 N -1.70 1.20 0.99 4.23 0.08 -1.26 -0.92 117.98 120.61 3g3k s PHE 102 Ca 0.33 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 3g3k s PHE 102 Cb -0.11 -0.71 0.18 0.00 -0.57 0.00 0.00 43.02 41.81 3g3k s PHE 102 CO 0.26 0.03 1.09 -1.54 -0.10 0.00 0.00 175.22 174.95 3g3k s SER 103 N -1.11 2.49 0.92 1.36 1.04 -0.16 -4.95 113.70 113.29 3g3k s SER 103 Ca 0.01 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 3g3k s SER 103 Cb -0.08 -2.33 0.14 0.00 0.10 0.00 0.00 66.02 63.85 3g3k s SER 103 CO 0.01 -3.29 1.12 0.29 0.98 0.00 0.00 173.24 172.35 3g3k n LYS 104 N -4.33 -0.44 -2.23 4.02 5.02 -1.26 -4.49 118.16 114.45 3g3k n LYS 104 Ca 0.07 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3g3k n LYS 104 Cb 0.54 -2.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 3g3k n LYS 104 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3g3k s PRO 105 N -4.57 4.44 0.03 1.97 0.02 -1.26 -4.60 135.00 131.02 3g3k s PRO 105 Ca 0.67 2.09 0.24 0.00 0.02 0.00 0.00 61.00 64.01 3g3k s PRO 105 Cb -0.23 -3.10 0.20 0.00 0.02 0.00 0.00 34.50 31.39 3g3k s PRO 105 CO 0.58 -0.07 1.18 1.97 -0.33 0.00 0.00 177.00 180.33 3g3k n PHE 106 N 0.90 0.16 -3.73 6.54 1.16 -0.12 -4.95 117.46 117.43 3g3k n PHE 106 Ca -0.00 0.05 -0.13 0.00 -1.87 0.00 0.00 57.45 55.49 3g3k n PHE 106 Cb 0.43 -0.33 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 3g3k n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3k s MET 107 N -3.10 0.51 0.11 3.97 0.00 -1.25 -5.00 119.30 114.55 3g3k s MET 107 Ca 0.07 0.55 0.07 0.00 0.00 0.00 0.00 55.69 56.39 3g3k s MET 107 Cb 0.16 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 3g3k s MET 107 CO 0.77 -0.07 -0.10 0.99 0.00 0.00 0.00 175.02 176.60 3g3k s THR 108 N 0.14 3.32 0.13 10.11 2.01 -1.26 -1.31 115.64 128.78 3g3k s THR 108 Ca -0.01 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.54 3g3k s THR 108 Cb -0.03 -2.56 0.05 0.00 0.01 0.00 0.00 72.50 69.97 3g3k s THR 108 CO 0.01 0.09 0.63 0.00 -0.69 0.00 0.00 174.62 174.65 3g3k n LEU 109 N 0.65 0.00 -3.65 4.42 -0.00 -0.15 -4.87 117.00 113.39 3g3k n LEU 109 Ca -0.13 -0.98 -0.10 0.00 -0.00 0.00 0.00 56.01 54.80 3g3k n LEU 109 Cb 0.53 1.81 -0.02 0.00 -0.00 0.00 0.00 43.42 45.73 3g3k n LEU 109 CO 0.33 -0.33 0.42 -0.83 -0.00 0.00 0.00 177.39 176.98 3g3k s GLY 110 N -2.79 -0.32 0.29 1.47 0.00 -1.26 -1.22 107.32 103.48 3g3k s GLY 110 Ca 0.14 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.62 3g3k s GLY 110 CO 0.04 0.00 1.34 -0.42 0.00 0.00 0.00 173.10 174.06 3g3k s ILE 111 N -3.84 2.78 0.00 0.90 1.01 -1.26 -0.37 121.20 120.42 3g3k s ILE 111 Ca 0.06 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3g3k s ILE 111 Cb -0.03 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3g3k s ILE 111 CO -0.03 0.15 0.00 -0.24 0.00 0.00 0.00 174.94 174.82 3g3k n SER 112 N 1.48 0.00 -4.13 3.58 2.88 0.08 -0.47 113.62 117.04 3g3k n SER 112 Ca 0.03 -0.36 -0.29 0.00 -1.33 0.00 0.00 58.87 56.92 3g3k n SER 112 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 3g3k n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3k s ILE 113 N -1.88 1.65 -0.22 2.46 1.01 -1.25 -1.17 121.20 121.80 3g3k s ILE 113 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 3g3k s ILE 113 Cb 0.00 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3g3k s ILE 113 CO 0.00 0.47 0.13 -0.22 0.00 0.00 0.00 174.94 175.32 3g3k s LEU 114 N 0.47 4.01 0.35 2.97 2.96 0.35 -0.80 118.68 128.99 3g3k s LEU 114 Ca -0.17 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3g3k s LEU 114 Cb -0.17 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3g3k s LEU 114 CO 0.07 0.09 0.54 -0.47 -1.32 0.00 0.00 176.35 175.26 3g3k s TYR 115 N 0.88 0.85 0.70 5.38 5.04 -0.69 -1.03 117.35 128.48 3g3k s TYR 115 Ca 0.07 -1.17 -0.11 0.00 -2.44 0.00 0.00 57.07 53.42 3g3k s TYR 115 Cb -0.13 0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.30 3g3k s TYR 115 CO 0.03 -1.22 1.06 1.03 -1.34 0.00 0.00 175.55 175.11 3g3k s ARG 116 N -2.95 2.93 0.59 4.97 0.52 -1.26 -1.00 118.95 122.75 3g3k s ARG 116 Ca 0.27 0.84 -0.09 0.00 -0.52 0.00 0.00 55.73 56.23 3g3k s ARG 116 Cb -0.01 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 3g3k s ARG 116 CO 0.18 -1.07 0.95 0.15 0.02 0.00 0.00 175.30 175.53 3g3k s LYS 117 N -5.11 3.38 0.00 3.54 1.02 -0.71 -4.54 119.74 117.32 3g3k s LYS 117 Ca 0.58 0.45 0.00 0.00 0.02 0.00 0.00 55.97 57.02 3g3k s LYS 117 Cb -0.13 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3g3k s LYS 117 CO 0.55 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 3g3k n GLY 118 N -2.63 0.62 3.72 -3.33 0.00 -1.26 -5.06 105.19 97.25 3g3k n GLY 118 Ca 0.04 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 3g3k n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3k s THR 119 N -2.00 2.56 -2.08 2.61 -4.23 -1.26 -5.03 115.64 106.21 3g3k s THR 119 Ca 0.00 -1.73 0.24 0.00 -1.18 0.00 0.00 61.69 59.02 3g3k s THR 119 Cb 0.00 -2.96 0.65 0.00 1.34 0.00 0.00 72.50 71.54 3g3k s THR 119 CO 0.00 -0.08 1.88 -0.81 -0.54 0.00 0.00 174.62 175.06 3g3k n PRO 120 N -1.17 1.15 -2.40 3.99 -0.05 -1.26 -4.84 135.00 130.41 3g3k n PRO 120 Ca -0.02 -0.22 -0.42 0.00 -0.05 0.00 0.00 63.50 62.78 3g3k n PRO 120 Cb 0.63 -1.39 -0.03 0.00 -0.05 0.00 0.00 33.50 32.66 3g3k n PRO 120 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3g3k s ILE 121 N -1.98 4.15 0.00 0.52 -1.09 -1.26 -4.89 121.20 116.65 3g3k s ILE 121 Ca 0.36 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3g3k s ILE 121 Cb 0.17 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3g3k s ILE 121 CO 0.29 -0.02 0.27 -0.67 -1.23 0.00 0.00 174.94 173.57 3g3k n ASP 122 N 5.47 0.53 -3.77 3.58 2.03 -1.26 -4.90 116.55 118.23 3g3k n ASP 122 Ca 0.12 -0.88 -0.06 0.00 0.52 0.00 0.00 54.79 54.49 3g3k n ASP 122 Cb 0.45 0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 3g3k n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3k s SER 123 N -0.12 -0.26 0.30 1.67 1.04 -1.26 -3.27 113.70 111.80 3g3k s SER 123 Ca 0.00 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 3g3k s SER 123 Cb 0.00 0.62 0.48 0.00 0.10 0.00 0.00 66.02 67.22 3g3k s SER 123 CO 0.00 -1.13 1.94 0.00 0.98 0.00 0.00 173.24 175.02 3g3k h ALA 124 N 2.00 1.46 -0.76 5.32 0.00 -1.98 -2.42 119.26 122.88 3g3k h ALA 124 Ca -0.22 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3g3k h ALA 124 Cb 1.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3g3k h ALA 124 CO 0.25 0.45 0.50 0.22 0.00 0.00 0.00 179.25 180.68 3g3k h ASP 125 N 1.08 0.83 -0.47 0.00 3.58 -1.95 0.31 116.42 119.80 3g3k h ASP 125 Ca 0.35 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.73 3g3k h ASP 125 Cb 0.04 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3g3k h ASP 125 CO -0.11 0.58 0.11 0.44 -2.88 0.00 0.00 179.24 177.38 3g3k h ASP 126 N 0.97 0.78 -0.31 2.28 3.32 -1.83 -2.53 116.42 119.09 3g3k h ASP 126 Ca 0.30 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3g3k h ASP 126 Cb -0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3g3k h ASP 126 CO -0.08 0.78 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.91 3g3k h LEU 127 N 0.79 0.74 -1.60 1.55 3.38 -1.18 -3.31 115.31 115.68 3g3k h LEU 127 Ca 0.17 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3g3k h LEU 127 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3g3k h LEU 127 CO 0.00 1.03 -0.21 0.00 0.09 0.00 0.00 178.44 179.35 3g3k h ALA 128 N 0.73 1.57 -0.20 1.53 0.00 -0.67 -2.51 119.26 119.71 3g3k h ALA 128 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3g3k h ALA 128 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3g3k h ALA 128 CO 0.06 0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.94 3g3k n LYS 129 N -4.17 1.50 -4.11 0.00 2.85 -0.98 -4.86 118.16 108.39 3g3k n LYS 129 Ca -0.02 -0.77 -0.11 0.00 -1.05 0.00 0.00 58.31 56.36 3g3k n LYS 129 Cb 0.28 -1.20 -0.08 0.00 -0.65 0.00 0.00 35.03 33.38 3g3k n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3g3k s GLN 130 N -1.73 1.37 0.00 -1.58 1.03 -0.95 -5.08 119.66 112.73 3g3k s GLN 130 Ca 0.17 -1.46 0.00 0.00 0.04 0.00 0.00 55.36 54.11 3g3k s GLN 130 Cb 0.09 0.36 0.00 0.00 0.03 0.00 0.00 33.01 33.49 3g3k s GLN 130 CO 0.12 -0.51 0.05 0.25 -2.54 0.00 0.00 175.29 172.66 3g3k n THR 131 N -0.33 0.00 -0.04 3.63 -2.24 -1.26 -4.84 114.28 109.19 3g3k n THR 131 Ca 0.00 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3g3k n THR 131 Cb 0.64 1.20 0.12 0.00 -2.10 0.00 0.00 70.33 70.19 3g3k n THR 131 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3g3k h LYS 132 N 0.00 0.66 -5.40 -0.78 2.10 -1.97 -3.36 116.57 107.82 3g3k h LYS 132 Ca 0.00 -0.27 -0.64 0.00 -2.00 0.00 0.00 60.65 57.73 3g3k h LYS 132 Cb 0.10 -0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 31.26 3g3k h LYS 132 CO 0.00 0.86 0.09 0.42 -2.00 0.00 0.00 179.45 178.82 3g3k s ILE 133 N -4.50 4.89 0.77 0.07 1.01 -1.26 -4.95 121.20 117.23 3g3k s ILE 133 Ca -0.08 0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 3g3k s ILE 133 Cb 0.13 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.55 3g3k s ILE 133 CO 0.82 -0.40 1.11 -1.61 0.00 0.00 0.00 174.94 174.86 3g3k s GLU 134 N 2.68 2.36 0.05 2.79 2.02 -0.80 -4.88 118.70 122.92 3g3k s GLU 134 Ca 0.22 0.47 -0.23 0.00 0.02 0.00 0.00 54.97 55.46 3g3k s GLU 134 Cb -0.15 -1.96 0.05 0.00 0.10 0.00 0.00 34.13 32.17 3g3k s GLU 134 CO 0.16 -1.39 0.53 1.52 0.02 0.00 0.00 175.26 176.10 3g3k s TYR 135 N -3.31 -0.44 0.00 1.61 -0.85 -1.26 -0.90 117.35 112.21 3g3k s TYR 135 Ca 0.60 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.64 3g3k s TYR 135 Cb -0.12 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.57 3g3k s TYR 135 CO 0.52 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 174.31 3g3k n GLY 136 N 0.39 1.83 3.80 5.49 0.00 -1.09 -4.74 105.19 110.87 3g3k n GLY 136 Ca -0.18 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 3g3k n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3k s ALA 137 N -1.00 -1.39 0.10 4.61 0.00 -1.19 -0.83 121.76 122.06 3g3k s ALA 137 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 3g3k s ALA 137 Cb 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.82 3g3k s ALA 137 CO 0.00 -1.03 1.40 0.08 0.00 0.00 0.00 175.76 176.22 3g3k s VAL 138 N -3.69 3.34 0.20 0.00 1.01 -1.26 -1.75 120.40 118.25 3g3k s VAL 138 Ca 0.11 0.93 -0.33 0.00 0.00 0.00 0.00 61.98 62.70 3g3k s VAL 138 Cb -0.04 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 3g3k s VAL 138 CO 0.04 0.06 1.62 1.21 0.00 0.00 0.00 175.10 178.03 3g3k n GLU 139 N 4.21 2.42 -1.82 2.72 4.07 0.40 -3.24 120.64 129.42 3g3k n GLU 139 Ca 0.12 0.87 -0.14 0.00 -0.06 0.00 0.00 57.16 57.95 3g3k n GLU 139 Cb 0.42 -2.66 -0.03 0.00 -0.06 0.00 0.00 31.44 29.11 3g3k n GLU 139 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3g3k n ASP 140 N 3.36 -4.49 -4.66 4.31 8.00 -1.26 -4.81 116.55 117.01 3g3k n ASP 140 Ca 0.15 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.56 3g3k n ASP 140 Cb 0.32 -3.42 -0.01 0.00 -0.02 0.00 0.00 41.12 37.98 3g3k n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3k n GLY 141 N -1.15 2.95 0.24 0.44 0.00 -1.20 -1.36 105.19 105.11 3g3k n GLY 141 Ca -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.50 3g3k n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3k h ALA 142 N 0.81 0.97 0.00 4.61 0.00 -1.88 -2.06 119.26 121.71 3g3k h ALA 142 Ca -0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3g3k h ALA 142 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3g3k h ALA 142 CO 0.55 0.60 -0.00 1.15 0.00 0.00 0.00 179.25 181.56 3g3k h THR 143 N 0.49 1.09 -0.41 0.00 2.02 -1.95 -0.56 112.91 113.59 3g3k h THR 143 Ca 0.06 -0.26 0.09 0.00 0.77 0.00 0.00 66.41 67.07 3g3k h THR 143 Cb 0.76 1.26 -0.09 0.00 -1.74 0.00 0.00 68.15 68.34 3g3k h THR 143 CO 0.06 0.07 -0.17 -0.03 0.37 0.00 0.00 175.52 175.81 3g3k h MET 144 N -0.11 -0.09 -0.73 6.66 -1.53 -1.73 -2.18 114.93 115.21 3g3k h MET 144 Ca -0.00 0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.22 3g3k h MET 144 Cb 0.11 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 3g3k h MET 144 CO 0.00 -0.06 0.26 1.15 0.14 0.00 0.00 176.91 178.40 3g3k h THR 145 N -0.09 1.25 -0.24 -0.77 2.02 -1.14 -0.43 112.91 113.52 3g3k h THR 145 Ca 0.20 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3g3k h THR 145 Cb 0.40 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3g3k h THR 145 CO -0.47 0.34 0.06 0.15 0.37 0.00 0.00 175.52 175.97 3g3k h PHE 146 N 1.08 0.11 -0.60 3.16 3.57 -0.57 -0.81 116.94 122.89 3g3k h PHE 146 Ca 0.24 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3g3k h PHE 146 Cb 0.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3g3k h PHE 146 CO 0.02 0.04 0.19 0.74 -2.23 0.00 0.00 178.31 177.07 3g3k h PHE 147 N 0.16 0.96 -0.42 0.41 0.04 -0.97 -1.68 116.94 115.45 3g3k h PHE 147 Ca 0.11 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3g3k h PHE 147 Cb 0.10 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3g3k h PHE 147 CO -0.14 0.80 0.14 -0.22 -0.60 0.00 0.00 178.31 178.28 3g3k h LYS 148 N 0.85 0.60 -0.02 1.51 3.64 -0.74 -2.96 116.57 119.44 3g3k h LYS 148 Ca 0.19 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3g3k h LYS 148 Cb 0.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3g3k h LYS 148 CO -0.01 0.52 -0.21 0.54 -2.27 0.00 0.00 179.45 178.02 3g3k n ARG 149 N -4.35 1.61 -2.61 1.90 1.74 -0.34 -4.97 116.66 109.64 3g3k n ARG 149 Ca 0.03 -1.24 -0.39 0.00 -0.77 0.00 0.00 57.85 55.48 3g3k n ARG 149 Cb 0.17 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 3g3k n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g3k s SER 150 N -2.25 7.24 0.00 0.55 0.15 -0.65 -4.91 113.70 113.83 3g3k s SER 150 Ca 0.25 2.07 0.15 0.00 0.70 0.00 0.00 55.95 59.12 3g3k s SER 150 Cb 0.19 -2.60 0.38 0.00 -1.71 0.00 0.00 66.02 62.28 3g3k s SER 150 CO 0.44 -0.15 1.30 0.29 1.20 0.00 0.00 173.24 176.32 3g3k n LYS 151 N 0.84 2.61 -2.58 5.44 4.76 -1.26 -4.45 118.16 123.52 3g3k n LYS 151 Ca 0.01 -2.15 -0.42 0.00 -2.87 0.00 0.00 58.31 52.88 3g3k n LYS 151 Cb 0.47 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 3g3k n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g3k s ILE 152 N -1.04 4.35 0.13 -0.18 -1.09 -1.26 -4.92 121.20 117.20 3g3k s ILE 152 Ca 0.30 1.78 -0.20 0.00 -2.23 0.00 0.00 60.65 60.30 3g3k s ILE 152 Cb 0.16 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3g3k s ILE 152 CO 0.21 0.19 1.72 0.77 -1.23 0.00 0.00 174.94 176.60 3g3k h SER 153 N 6.29 -0.11 -0.59 3.58 4.64 -1.99 -0.04 113.55 125.34 3g3k h SER 153 Ca -0.42 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.01 3g3k h SER 153 Cb 1.22 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 3g3k h SER 153 CO 0.76 -0.03 0.28 0.74 -0.87 0.00 0.00 176.83 177.71 3g3k h THR 154 N 0.04 0.90 0.00 2.95 2.02 -2.00 -1.47 112.91 115.35 3g3k h THR 154 Ca 0.09 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 3g3k h THR 154 Cb 0.13 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3g3k h THR 154 CO -0.17 0.10 -0.82 1.88 0.37 0.00 0.00 175.52 176.87 3g3k h TYR 155 N 0.53 0.02 -0.60 3.16 0.05 -1.72 -1.93 116.97 116.48 3g3k h TYR 155 Ca 0.27 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.96 3g3k h TYR 155 Cb 0.23 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3g3k h TYR 155 CO -0.11 0.83 0.07 0.22 -1.05 0.00 0.00 178.16 178.11 3g3k h ASP 156 N 0.01 0.98 -0.55 3.88 3.58 -0.80 0.20 116.42 123.72 3g3k h ASP 156 Ca -0.01 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 3g3k h ASP 156 Cb 1.46 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 3g3k h ASP 156 CO 0.11 1.01 0.24 0.50 -2.88 0.00 0.00 179.24 178.22 3g3k h LYS 157 N 0.92 0.81 -0.56 0.28 3.64 -1.16 -1.61 116.57 118.89 3g3k h LYS 157 Ca 0.18 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3g3k h LYS 157 Cb 0.47 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3g3k h LYS 157 CO 0.02 0.69 0.02 0.52 -2.27 0.00 0.00 179.45 178.43 3g3k h MET 158 N 0.75 0.95 -0.65 1.90 2.86 -1.08 -2.27 114.93 117.39 3g3k h MET 158 Ca 0.19 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3g3k h MET 158 Cb 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3g3k h MET 158 CO -0.02 0.93 0.16 2.35 1.06 0.00 0.00 176.91 181.39 3g3k h TRP 159 N 0.88 1.09 -0.88 -0.22 2.91 -0.71 -0.85 115.95 118.17 3g3k h TRP 159 Ca 0.17 -0.13 0.05 0.00 1.13 0.00 0.00 58.89 60.11 3g3k h TRP 159 Cb 0.49 -0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 3g3k h TRP 159 CO 0.03 0.90 0.56 0.00 -1.03 0.00 0.00 178.44 178.90 3g3k h ALA 160 N 1.06 1.18 -0.08 2.65 0.00 -0.96 0.94 119.26 124.05 3g3k h ALA 160 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3g3k h ALA 160 Cb 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g3k h ALA 160 CO 0.00 0.36 0.01 0.35 0.00 0.00 0.00 179.25 179.97 3g3k h PHE 161 N 1.05 0.14 -0.82 0.00 3.57 -1.04 -1.62 116.94 118.22 3g3k h PHE 161 Ca 0.36 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3g3k h PHE 161 Cb 0.08 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3g3k h PHE 161 CO -0.02 0.36 0.54 0.52 -2.23 0.00 0.00 178.31 177.48 3g3k h MET 162 N -0.11 1.09 0.07 1.11 2.86 -0.68 -1.04 114.93 118.22 3g3k h MET 162 Ca 0.02 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3g3k h MET 162 Cb 0.29 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3g3k h MET 162 CO 0.00 0.72 -0.03 0.77 1.06 0.00 0.00 176.91 179.43 3g3k h SER 163 N 1.12 -0.08 -0.83 1.22 0.02 -0.83 0.27 113.55 114.44 3g3k h SER 163 Ca 0.30 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3g3k h SER 163 Cb -0.13 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 3g3k h SER 163 CO -0.06 -0.04 0.53 0.77 -1.14 0.00 0.00 176.83 176.88 3g3k h SER 164 N -0.10 0.97 -0.56 3.07 4.64 -0.94 -2.89 113.55 117.74 3g3k h SER 164 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3g3k h SER 164 Cb 0.08 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3g3k h SER 164 CO 0.02 0.73 0.00 0.54 -0.87 0.00 0.00 176.83 177.24 3g3k n ARG 165 N -4.48 4.36 0.16 4.77 1.74 -0.43 -4.75 116.66 118.04 3g3k n ARG 165 Ca 0.09 -2.88 0.08 0.00 -0.77 0.00 0.00 57.85 54.36 3g3k n ARG 165 Cb 0.03 -2.12 0.58 0.00 -1.02 0.00 0.00 32.46 29.93 3g3k n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3k h ARG 166 N 3.79 0.16 0.00 5.56 0.11 -0.72 -0.28 114.38 123.00 3g3k h ARG 166 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 3g3k h ARG 166 Cb 1.75 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.79 3g3k h ARG 166 CO 0.39 0.11 -0.17 1.96 0.10 0.00 0.00 179.97 182.36 3g3k h GLN 167 N 0.17 0.00 0.05 0.08 1.08 -1.86 -2.03 115.11 112.60 3g3k h GLN 167 Ca 0.06 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.89 3g3k h GLN 167 Cb 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 3g3k h GLN 167 CO -0.01 0.17 -2.23 0.45 -0.95 0.00 0.00 178.83 176.27 3g3k n SER 168 N -4.00 1.86 -0.00 1.46 2.88 -0.26 -4.74 113.62 110.81 3g3k n SER 168 Ca -0.02 0.05 0.11 0.00 -1.33 0.00 0.00 58.87 57.67 3g3k n SER 168 Cb 0.26 -0.50 -0.14 0.00 -0.75 0.00 0.00 64.21 63.08 3g3k n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3k n VAL 169 N -3.31 0.01 -3.26 2.46 0.24 -0.35 -4.83 118.33 109.29 3g3k n VAL 169 Ca -0.38 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 3g3k n VAL 169 Cb 1.03 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.73 3g3k n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3k s LEU 170 N -3.92 4.36 0.35 1.34 1.43 -0.77 -3.15 118.68 118.32 3g3k s LEU 170 Ca -0.01 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 3g3k s LEU 170 Cb 0.15 -2.82 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 3g3k s LEU 170 CO 0.89 0.06 -0.05 0.68 0.23 0.00 0.00 176.35 178.16 3g3k s VAL 171 N 0.13 1.98 -1.19 -1.59 -7.23 -0.71 -4.82 120.40 106.96 3g3k s VAL 171 Ca 0.29 -2.12 0.25 0.00 -1.81 0.00 0.00 61.98 58.59 3g3k s VAL 171 Cb -0.17 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.11 3g3k s VAL 171 CO 0.14 -0.15 1.40 0.29 -0.31 0.00 0.00 175.10 176.47 3g3k n LYS 172 N -0.79 0.21 -3.48 4.82 5.02 -1.26 -0.45 118.16 122.23 3g3k n LYS 172 Ca -0.05 -0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 3g3k n LYS 172 Cb 0.65 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 3g3k n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3k s SER 173 N -2.88 -0.53 0.27 4.39 1.04 -1.26 -4.81 113.70 109.92 3g3k s SER 173 Ca 0.14 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 3g3k s SER 173 Cb 0.18 0.61 0.37 0.00 0.10 0.00 0.00 66.02 67.27 3g3k s SER 173 CO 0.67 -1.01 1.92 0.78 0.98 0.00 0.00 173.24 176.58 3g3k h ASN 174 N 2.00 1.06 -0.82 7.02 2.35 -1.95 -2.05 115.58 123.19 3g3k h ASN 174 Ca -0.32 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 3g3k h ASN 174 Cb 1.30 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 3g3k h ASN 174 CO 0.36 0.73 0.43 -0.08 -1.65 0.00 0.00 177.43 177.22 3g3k h GLU 175 N 1.23 1.16 -0.49 0.81 4.57 -1.97 -0.55 114.58 119.36 3g3k h GLU 175 Ca 0.38 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 3g3k h GLU 175 Cb -0.01 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3g3k h GLU 175 CO -0.11 0.87 0.02 0.93 -1.18 0.00 0.00 179.01 179.54 3g3k h GLU 176 N 1.15 0.79 -0.75 1.92 4.39 -1.85 -1.74 114.58 118.50 3g3k h GLU 176 Ca 0.29 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 3g3k h GLU 176 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3g3k h GLU 176 CO -0.04 0.78 0.27 0.78 -1.16 0.00 0.00 179.01 179.64 3g3k h GLY 177 N 0.97 1.23 0.99 -3.84 0.00 -0.61 -1.51 103.07 100.30 3g3k h GLY 177 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3g3k h GLY 177 CO 0.02 0.65 0.22 -2.22 0.00 0.00 0.00 176.54 175.21 3g3k h ILE 178 N 1.11 1.10 -0.89 2.60 2.04 -0.90 -1.25 117.51 121.32 3g3k h ILE 178 Ca 0.25 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3g3k h ILE 178 Cb 0.26 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3g3k h ILE 178 CO -0.01 0.10 0.49 -0.61 0.00 0.00 0.00 178.15 178.12 3g3k h GLN 179 N 0.46 1.23 -0.60 2.37 5.75 -1.11 -0.81 115.11 122.40 3g3k h GLN 179 Ca 0.13 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 3g3k h GLN 179 Cb -0.03 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 3g3k h GLN 179 CO -0.03 0.89 -0.02 0.00 -2.65 0.00 0.00 178.83 177.03 3g3k h ARG 180 N 1.24 1.07 -0.90 1.69 3.08 -0.72 -1.55 114.38 118.29 3g3k h ARG 180 Ca 0.31 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3g3k h ARG 180 Cb 0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 3g3k h ARG 180 CO -0.05 1.05 0.58 0.28 -1.07 0.00 0.00 179.97 180.76 3g3k h VAL 181 N 0.97 1.13 0.00 2.04 2.07 -0.56 -1.73 116.25 120.17 3g3k h VAL 181 Ca 0.17 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3g3k h VAL 181 Cb 0.58 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3g3k h VAL 181 CO 0.03 0.20 -0.14 -0.07 0.02 0.00 0.00 177.57 177.62 3g3k h LEU 182 N 1.11 0.00 -1.19 2.57 3.38 -0.77 -3.35 115.31 117.05 3g3k h LEU 182 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3g3k h LEU 182 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3g3k h LEU 182 CO -0.13 0.14 0.00 0.35 0.09 0.00 0.00 178.44 178.88 3g3k n THR 183 N -3.21 0.13 -3.94 0.22 -2.24 -0.62 -5.06 114.28 99.56 3g3k n THR 183 Ca 0.02 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 3g3k n THR 183 Cb 0.46 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3g3k n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3k s SER 184 N -0.13 -0.09 -1.03 3.42 1.04 -0.67 -5.05 113.70 111.20 3g3k s SER 184 Ca 0.00 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 3g3k s SER 184 Cb 0.00 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.90 3g3k s SER 184 CO 0.00 -1.26 1.29 -0.62 0.98 0.00 0.00 173.24 173.63 3g3k s ASP 185 N -3.00 6.71 -0.11 7.02 2.15 -1.26 -4.59 116.67 123.59 3g3k s ASP 185 Ca 0.18 -2.17 -0.08 0.00 0.43 0.00 0.00 52.55 50.92 3g3k s ASP 185 Cb -0.03 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 3g3k s ASP 185 CO 0.09 -1.08 0.28 -0.47 -0.17 0.00 0.00 175.17 173.82 3g3k s TYR 186 N 2.95 -0.35 -0.07 -5.34 5.04 -1.26 -1.90 117.35 116.42 3g3k s TYR 186 Ca 0.38 0.83 0.01 0.00 -2.44 0.00 0.00 57.07 55.86 3g3k s TYR 186 Cb -0.03 0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 3g3k s TYR 186 CO -0.06 -0.21 -0.10 0.00 -1.34 0.00 0.00 175.55 173.84 3g3k s ALA 187 N 0.79 2.86 -0.18 3.97 0.00 -0.07 -4.36 121.76 124.76 3g3k s ALA 187 Ca -0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3g3k s ALA 187 Cb -0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3g3k s ALA 187 CO -0.05 0.53 -0.07 0.12 0.00 0.00 0.00 175.76 176.30 3g3k s PHE 188 N -0.67 2.93 -0.33 0.00 5.36 -0.20 -2.67 117.98 122.41 3g3k s PHE 188 Ca 0.10 -0.70 -0.28 0.00 -0.96 0.00 0.00 56.93 55.09 3g3k s PHE 188 Cb -0.11 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.59 3g3k s PHE 188 CO 0.01 -0.33 1.02 -0.51 -1.46 0.00 0.00 175.22 173.96 3g3k s LEU 189 N 0.89 3.94 0.00 6.12 1.02 -0.01 -0.49 118.68 130.15 3g3k s LEU 189 Ca -0.01 0.91 -0.10 0.00 0.02 0.00 0.00 54.13 54.94 3g3k s LEU 189 Cb -0.15 -3.45 0.01 0.00 0.02 0.00 0.00 46.19 42.62 3g3k s LEU 189 CO 0.01 -0.87 0.21 -0.32 0.02 0.00 0.00 176.35 175.40 3g3k s MET 190 N 3.59 0.59 0.33 1.70 1.75 -0.32 -4.52 119.30 122.42 3g3k s MET 190 Ca 0.43 -0.38 -0.27 0.00 -1.25 0.00 0.00 55.69 54.22 3g3k s MET 190 Cb -0.12 0.25 -0.09 0.00 2.84 0.00 0.00 34.83 37.71 3g3k s MET 190 CO 0.16 -0.15 1.11 -1.21 -0.65 0.00 0.00 175.02 174.28 3g3k s GLU 191 N -1.59 4.40 0.35 4.11 2.02 -1.26 -0.74 118.70 125.99 3g3k s GLU 191 Ca -0.13 1.77 0.07 0.00 0.02 0.00 0.00 54.97 56.70 3g3k s GLU 191 Cb -0.06 -2.93 0.64 0.00 0.10 0.00 0.00 34.13 31.88 3g3k s GLU 191 CO 0.01 0.01 1.84 0.66 0.02 0.00 0.00 175.26 177.80 3g3k h SER 192 N 3.26 0.30 0.34 -0.19 4.64 -1.03 -0.77 113.55 120.11 3g3k h SER 192 Ca -0.48 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 60.65 3g3k h SER 192 Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3g3k h SER 192 CO 0.65 0.51 -0.47 0.71 -0.87 0.00 0.00 176.83 177.36 3g3k h THR 193 N 0.29 1.34 -0.24 2.95 1.35 -1.89 -1.11 112.91 115.59 3g3k h THR 193 Ca 0.05 -1.65 -0.19 0.00 -0.55 0.00 0.00 66.41 64.07 3g3k h THR 193 Cb 0.50 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3g3k h THR 193 CO 0.03 0.48 -0.61 0.74 -0.25 0.00 0.00 175.52 175.91 3g3k h THR 194 N 0.12 1.28 -0.62 6.82 2.02 -1.72 -2.87 112.91 117.95 3g3k h THR 194 Ca 0.01 -1.81 0.07 0.00 0.77 0.00 0.00 66.41 65.45 3g3k h THR 194 Cb 0.88 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 3g3k h THR 194 CO 0.07 0.58 0.32 0.40 0.37 0.00 0.00 175.52 177.26 3g3k h ILE 195 N 0.61 0.91 -0.71 3.11 2.04 -0.89 -0.84 117.51 121.75 3g3k h ILE 195 Ca -0.00 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3g3k h ILE 195 Cb 1.22 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3g3k h ILE 195 CO 0.13 0.11 0.44 -0.08 0.00 0.00 0.00 178.15 178.74 3g3k h GLU 196 N 0.58 0.81 -0.08 2.37 4.81 -1.08 0.39 114.58 122.37 3g3k h GLU 196 Ca 0.29 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3g3k h GLU 196 Cb 0.23 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3g3k h GLU 196 CO -0.21 0.54 0.05 0.35 -0.73 0.00 0.00 179.01 179.01 3g3k h PHE 197 N 0.83 0.11 -0.37 0.92 3.57 -1.14 -2.94 116.94 117.92 3g3k h PHE 197 Ca 0.30 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3g3k h PHE 197 Cb 0.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3g3k h PHE 197 CO -0.05 0.13 0.06 0.28 -2.23 0.00 0.00 178.31 176.50 3g3k h VAL 198 N 0.06 1.24 0.00 1.41 2.07 -0.65 -3.06 116.25 117.33 3g3k h VAL 198 Ca 0.03 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3g3k h VAL 198 Cb 0.05 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3g3k h VAL 198 CO -0.01 0.29 -0.34 0.71 0.02 0.00 0.00 177.57 178.24 3g3k h THR 199 N 0.46 0.84 0.00 2.57 1.35 -0.98 -0.67 112.91 116.49 3g3k h THR 199 Ca 0.11 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3g3k h THR 199 Cb 0.36 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3g3k h THR 199 CO 0.01 0.33 0.00 1.67 -0.25 0.00 0.00 175.52 177.28 3g3k n GLN 200 N -3.55 0.09 0.00 4.72 7.27 -1.11 -3.49 117.38 121.31 3g3k n GLN 200 Ca -0.00 0.22 0.03 0.00 0.07 0.00 0.00 57.00 57.31 3g3k n GLN 200 Cb 0.48 -1.63 -0.00 0.00 2.41 0.00 0.00 30.24 31.49 3g3k n GLN 200 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3g3k n ARG 201 N -1.79 2.63 -3.53 3.69 1.74 -0.67 -4.44 116.66 114.28 3g3k n ARG 201 Ca 0.04 -0.41 -0.29 0.00 -0.77 0.00 0.00 57.85 56.42 3g3k n ARG 201 Cb 0.27 -0.92 -0.13 0.00 -1.02 0.00 0.00 32.46 30.67 3g3k n ARG 201 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3g3k s ASN 202 N -0.98 3.19 0.00 0.55 0.01 -0.35 -5.01 114.94 112.36 3g3k s ASN 202 Ca 0.04 -2.20 0.25 0.00 -0.71 0.00 0.00 52.86 50.24 3g3k s ASN 202 Cb 0.04 -0.55 1.37 0.00 0.41 0.00 0.00 41.25 42.52 3g3k s ASN 202 CO 0.14 -0.31 1.85 0.00 -1.51 0.00 0.00 177.10 177.27 3g3k n ASN 204 N -1.16 1.32 -4.66 0.00 0.23 -1.26 -4.92 115.26 104.81 3g3k n ASN 204 Ca 0.15 -1.20 -0.25 0.00 -0.53 0.00 0.00 54.58 52.75 3g3k n ASN 204 Cb 0.15 0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 37.86 3g3k n ASN 204 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3g3k s LEU 205 N -2.28 3.27 0.11 -4.53 1.43 -0.37 -1.74 118.68 114.57 3g3k s LEU 205 Ca 0.30 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 3g3k s LEU 205 Cb 0.20 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3g3k s LEU 205 CO 0.44 0.05 0.32 0.28 0.23 0.00 0.00 176.35 177.67 3g3k s THR 206 N -1.94 0.10 0.22 5.49 -1.32 -0.17 -4.81 115.64 113.21 3g3k s THR 206 Ca 0.29 -0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 59.66 3g3k s THR 206 Cb -0.08 -1.22 -0.09 0.00 -1.51 0.00 0.00 72.50 69.60 3g3k s THR 206 CO 0.19 -0.45 0.99 -1.58 -2.21 0.00 0.00 174.62 171.57 3g3k s GLN 207 N -3.77 4.76 -0.23 7.08 0.74 -1.26 -1.71 119.66 125.27 3g3k s GLN 207 Ca 0.03 1.58 -0.06 0.00 0.05 0.00 0.00 55.36 56.96 3g3k s GLN 207 Cb 0.03 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 3g3k s GLN 207 CO -0.11 0.37 0.04 0.42 -0.55 0.00 0.00 175.29 175.45 3g3k s ILE 208 N -0.92 4.14 0.00 -2.34 -1.09 0.02 -4.95 121.20 116.06 3g3k s ILE 208 Ca 0.43 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 3g3k s ILE 208 Cb -0.27 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3g3k s ILE 208 CO 0.34 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3g3k n GLY 209 N 4.63 -0.57 0.00 6.18 0.00 -1.20 -3.80 105.19 110.43 3g3k n GLY 209 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3g3k n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3k n GLY 210 N 0.00 2.62 3.77 -0.02 0.00 -1.26 -4.91 105.19 105.39 3g3k n GLY 210 Ca 0.00 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 3g3k n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3k s LEU 211 N 0.00 4.50 0.03 0.99 1.43 -1.26 -4.56 118.68 119.81 3g3k s LEU 211 Ca 0.00 1.39 0.13 0.00 -1.03 0.00 0.00 54.13 54.62 3g3k s LEU 211 Cb 0.00 -3.09 -0.18 0.00 0.03 0.00 0.00 46.19 42.95 3g3k s LEU 211 CO 0.00 0.15 0.86 0.40 0.23 0.00 0.00 176.35 177.99 3g3k h ILE 212 N 3.77 0.89 -3.74 -0.59 2.04 -1.10 -3.48 117.51 115.29 3g3k h ILE 212 Ca -0.46 -2.59 -0.26 0.00 1.00 0.00 0.00 64.86 62.55 3g3k h ILE 212 Cb 1.21 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 39.60 3g3k h ILE 212 CO 0.67 0.51 -0.17 -0.90 0.00 0.00 0.00 178.15 178.25 3g3k n ASP 213 N -3.06 -0.95 -3.96 1.72 5.75 -1.26 -4.94 116.55 109.84 3g3k n ASP 213 Ca -0.11 -2.55 -0.27 0.00 -0.01 0.00 0.00 54.79 51.85 3g3k n ASP 213 Cb 0.95 1.84 -0.17 0.00 -1.03 0.00 0.00 41.12 42.72 3g3k n ASP 213 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g3k s SER 214 N -2.74 2.25 0.25 -1.12 0.01 -1.26 -4.18 113.70 106.91 3g3k s SER 214 Ca 0.25 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 3g3k s SER 214 Cb -0.00 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.30 3g3k s SER 214 CO 0.18 -0.07 0.51 -1.59 0.41 0.00 0.00 173.24 172.68 3g3k s LYS 215 N 1.44 1.56 0.21 12.44 -2.85 -0.36 -5.00 119.74 127.18 3g3k s LYS 215 Ca 0.01 -1.18 0.08 0.00 -1.00 0.00 0.00 55.97 53.87 3g3k s LYS 215 Cb -0.13 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 3g3k s LYS 215 CO -0.06 -0.66 -0.14 0.20 0.10 0.00 0.00 175.35 174.79 3g3k s GLY 216 N -2.99 1.47 -0.05 0.59 0.00 -1.26 -0.98 107.32 104.09 3g3k s GLY 216 Ca 0.20 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.08 3g3k s GLY 216 CO 0.08 -1.77 0.40 -0.19 0.00 0.00 0.00 173.10 171.62 3g3k s TYR 217 N -2.98 3.64 0.14 1.90 2.02 -0.42 -0.89 117.35 120.76 3g3k s TYR 217 Ca 0.23 0.90 0.03 0.00 -0.37 0.00 0.00 57.07 57.86 3g3k s TYR 217 Cb -0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 3g3k s TYR 217 CO 0.07 0.48 -0.05 0.20 -1.57 0.00 0.00 175.55 174.68 3g3k s GLY 218 N -0.45 1.04 -0.01 0.71 0.00 -0.90 -0.95 107.32 106.77 3g3k s GLY 218 Ca 0.23 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 3g3k s GLY 218 CO 0.11 -1.53 1.18 0.14 0.00 0.00 0.00 173.10 173.01 3g3k s VAL 219 N -3.55 4.21 0.24 1.40 1.01 -1.26 -4.51 120.40 117.94 3g3k s VAL 219 Ca 0.18 1.57 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 3g3k s VAL 219 Cb 0.05 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3g3k s VAL 219 CO 0.00 0.06 0.73 -0.83 0.00 0.00 0.00 175.10 175.06 3g3k s GLY 220 N 1.29 2.57 0.05 4.51 0.00 -0.61 -0.99 107.32 114.15 3g3k s GLY 220 Ca 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 3g3k s GLY 220 CO 0.25 0.49 -0.03 -0.51 0.00 0.00 0.00 173.10 173.29 3g3k s THR 221 N -1.61 0.27 0.65 0.90 -4.23 -0.09 -0.71 115.64 110.82 3g3k s THR 221 Ca 0.45 -1.78 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 3g3k s THR 221 Cb -0.16 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3g3k s THR 221 CO 0.20 -0.96 1.21 -2.65 -0.54 0.00 0.00 174.62 171.89 3g3k n PRO 222 N 0.17 1.01 -1.72 3.99 -0.02 -1.26 -1.41 135.00 135.76 3g3k n PRO 222 Ca -0.14 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 3g3k n PRO 222 Cb 0.61 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3g3k n PRO 222 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3g3k n MET 223 N -1.80 2.58 -0.63 -0.52 1.56 -1.26 -1.71 117.12 115.35 3g3k n MET 223 Ca 0.15 0.93 0.00 0.00 -0.27 0.00 0.00 57.70 58.51 3g3k n MET 223 Cb 0.48 -2.72 0.00 0.00 2.15 0.00 0.00 33.22 33.13 3g3k n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3g3k n GLY 224 N 3.04 0.88 3.76 -5.12 0.00 -1.26 -4.95 105.19 101.54 3g3k n GLY 224 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3g3k n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3k s SER 225 N -3.01 6.52 0.51 1.61 0.15 -0.69 -4.88 113.70 113.91 3g3k s SER 225 Ca 0.00 2.86 0.34 0.00 0.70 0.00 0.00 55.95 59.84 3g3k s SER 225 Cb 0.00 -2.65 1.52 0.00 -1.71 0.00 0.00 66.02 63.19 3g3k s SER 225 CO 0.00 -0.76 2.00 1.55 1.20 0.00 0.00 173.24 177.24 3g3k h PRO 226 N 3.88 0.00 0.00 5.44 0.13 -1.96 -2.86 132.00 136.62 3g3k h PRO 226 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3g3k h PRO 226 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3g3k h PRO 226 CO 0.70 0.00 -0.21 1.88 -0.23 0.00 0.00 178.00 180.14 3g3k h TYR 227 N 0.00 0.00 0.16 1.56 0.05 -1.97 -3.31 116.97 113.47 3g3k h TYR 227 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3g3k h TYR 227 Cb 0.35 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 3g3k h TYR 227 CO 0.00 0.21 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.84 3g3k h ARG 228 N 0.00 -0.62 -0.10 4.88 2.43 -1.89 -0.48 114.38 118.59 3g3k h ARG 228 Ca -0.00 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3g3k h ARG 228 Cb 0.74 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3g3k h ARG 228 CO 0.03 -0.42 -0.47 -0.44 -1.51 0.00 0.00 179.97 177.16 3g3k h ASP 229 N -0.65 0.27 -0.56 -3.80 3.32 -1.79 -1.46 116.42 111.75 3g3k h ASP 229 Ca 0.02 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3g3k h ASP 229 Cb 0.66 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3g3k h ASP 229 CO -0.20 0.70 -0.06 0.50 -1.72 0.00 0.00 179.24 178.46 3g3k h LYS 230 N 0.21 1.03 -0.40 3.56 3.64 -1.59 -1.93 116.57 121.09 3g3k h LYS 230 Ca 0.01 -0.36 -0.15 0.00 -1.27 0.00 0.00 60.65 58.89 3g3k h LYS 230 Cb 0.90 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3g3k h LYS 230 CO 0.07 1.05 -0.32 0.82 -2.27 0.00 0.00 179.45 178.80 3g3k h ILE 231 N 0.91 1.27 -0.53 2.00 2.04 -0.89 -1.38 117.51 120.93 3g3k h ILE 231 Ca 0.15 -1.49 0.09 0.00 1.00 0.00 0.00 64.86 64.61 3g3k h ILE 231 Cb 0.62 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 3g3k h ILE 231 CO 0.04 0.50 0.12 0.74 0.00 0.00 0.00 178.15 179.55 3g3k h THR 232 N 0.74 0.71 -0.51 -0.27 2.02 -1.13 -0.30 112.91 114.16 3g3k h THR 232 Ca 0.07 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3g3k h THR 232 Cb 0.91 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3g3k h THR 232 CO 0.08 0.05 0.21 -0.07 0.37 0.00 0.00 175.52 176.16 3g3k h LEU 233 N 0.26 0.71 -1.00 2.58 3.38 -1.13 -0.77 115.31 119.35 3g3k h LEU 233 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3g3k h LEU 233 Cb 0.37 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3g3k h LEU 233 CO -0.34 0.69 0.29 0.00 0.09 0.00 0.00 178.44 179.17 3g3k h ALA 234 N 1.05 1.21 -0.25 1.53 0.00 -0.77 -0.44 119.26 121.60 3g3k h ALA 234 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3g3k h ALA 234 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g3k h ALA 234 CO -0.01 0.58 0.12 0.82 0.00 0.00 0.00 179.25 180.76 3g3k h ILE 235 N 1.00 1.14 -0.72 0.00 2.04 -0.76 -0.90 117.51 119.31 3g3k h ILE 235 Ca 0.24 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3g3k h ILE 235 Cb 0.16 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3g3k h ILE 235 CO -0.02 0.14 0.44 -0.07 0.00 0.00 0.00 178.15 178.63 3g3k h LEU 236 N 0.27 0.86 -0.32 1.44 3.38 -0.84 -0.63 115.31 119.47 3g3k h LEU 236 Ca 0.09 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3g3k h LEU 236 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3g3k h LEU 236 CO -0.01 0.66 -0.16 0.50 0.09 0.00 0.00 178.44 179.52 3g3k h LYS 237 N 0.99 0.68 -0.86 1.13 3.64 -0.79 -1.49 116.57 119.87 3g3k h LYS 237 Ca 0.26 -0.30 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3g3k h LYS 237 Cb -0.04 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3g3k h LYS 237 CO -0.05 0.89 0.52 -0.07 -2.27 0.00 0.00 179.45 178.47 3g3k h LEU 238 N 0.44 0.79 -1.40 5.20 3.38 -0.66 -1.48 115.31 121.58 3g3k h LEU 238 Ca 0.07 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3g3k h LEU 238 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3g3k h LEU 238 CO 0.05 0.48 -0.19 1.56 0.09 0.00 0.00 178.44 180.43 3g3k h GLN 239 N 0.91 0.00 -0.33 1.13 4.20 -0.76 0.72 115.11 120.98 3g3k h GLN 239 Ca 0.39 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.05 3g3k h GLN 239 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3g3k h GLN 239 CO -0.21 0.19 -0.02 1.49 -0.67 0.00 0.00 178.83 179.61 3g3k h GLU 240 N 0.00 0.59 0.00 1.46 4.81 -0.59 -3.33 114.58 117.52 3g3k h GLU 240 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3g3k h GLU 240 Cb 0.61 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3g3k h GLU 240 CO 0.02 0.73 0.00 1.04 -0.73 0.00 0.00 179.01 180.08 3g3k n GLN 241 N -4.51 0.21 -0.07 1.92 6.02 0.24 -4.79 117.38 116.40 3g3k n GLN 241 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3g3k n GLN 241 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3g3k n GLN 241 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g3k n GLY 242 N 1.14 0.51 0.10 1.08 0.00 -0.32 -4.97 105.19 102.73 3g3k n GLY 242 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 3g3k n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3k h LYS 243 N 4.78 0.00 -0.28 1.61 1.57 -1.66 -2.53 116.57 120.05 3g3k h LYS 243 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3g3k h LYS 243 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3g3k h LYS 243 CO 0.00 0.76 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.15 3g3k h LEU 244 N 0.00 0.85 -1.13 2.94 3.38 -1.94 -1.45 115.31 117.97 3g3k h LEU 244 Ca -0.01 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 3g3k h LEU 244 Cb 1.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3g3k h LEU 244 CO 0.10 1.20 -0.38 1.12 0.09 0.00 0.00 178.44 180.57 3g3k h HIS 245 N 0.53 0.12 -0.34 1.13 2.07 -1.88 -0.56 115.15 116.22 3g3k h HIS 245 Ca 0.03 -0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 3g3k h HIS 245 Cb 1.01 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.95 3g3k h HIS 245 CO 0.08 0.47 -0.27 0.52 -3.07 0.00 0.00 177.93 175.66 3g3k h MET 246 N 0.09 0.71 -0.67 5.12 2.86 -1.31 -0.26 114.93 121.46 3g3k h MET 246 Ca 0.01 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3g3k h MET 246 Cb 0.72 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3g3k h MET 246 CO 0.05 0.90 0.12 1.98 1.06 0.00 0.00 176.91 181.02 3g3k h MET 247 N 0.61 1.10 -0.39 1.72 -1.53 -0.85 -1.02 114.93 114.58 3g3k h MET 247 Ca 0.08 -0.28 -0.04 0.00 -3.44 0.00 0.00 59.70 56.02 3g3k h MET 247 Cb 0.77 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 3g3k h MET 247 CO 0.06 1.00 0.10 -0.22 0.14 0.00 0.00 176.91 177.99 3g3k h LYS 248 N 1.03 0.61 -0.92 0.39 3.64 -0.79 -2.43 116.57 118.10 3g3k h LYS 248 Ca 0.21 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3g3k h LYS 248 Cb 0.42 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3g3k h LYS 248 CO 0.01 0.64 0.61 1.49 -2.27 0.00 0.00 179.45 179.93 3g3k h GLU 249 N 0.48 1.18 -0.55 1.90 4.57 -0.78 0.10 114.58 121.49 3g3k h GLU 249 Ca 0.12 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3g3k h GLU 249 Cb 0.29 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 3g3k h GLU 249 CO -0.00 0.78 0.29 -0.22 -1.18 0.00 0.00 179.01 178.68 3g3k h LYS 250 N 1.22 0.54 0.00 1.92 3.64 -0.90 -1.49 116.57 121.49 3g3k h LYS 250 Ca 0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3g3k h LYS 250 Cb -0.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3g3k h LYS 250 CO -0.09 0.36 -0.87 0.91 -2.27 0.00 0.00 179.45 177.49 3g3k n TRP 251 N -4.86 0.70 0.99 1.91 7.02 -0.91 -3.88 117.44 118.41 3g3k n TRP 251 Ca 0.05 0.20 0.10 0.00 -1.02 0.00 0.00 57.50 56.84 3g3k n TRP 251 Cb 0.14 -0.76 -0.12 0.00 -2.42 0.00 0.00 31.31 28.15 3g3k n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3k n TRP 252 N -2.35 0.00 0.00 -5.99 8.01 0.31 -4.86 117.44 112.56 3g3k n TRP 252 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3g3k n TRP 252 Cb 0.49 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 3g3k n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3g3k n ARG 253 N -1.50 0.00 0.00 -0.99 1.74 -0.57 -4.98 116.66 110.36 3g3k n ARG 253 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3g3k n ARG 253 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 3g3k n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3k n GLY 256 N 0.00 0.90 3.20 -0.13 0.00 -1.26 -5.07 105.19 102.83 3g3k n GLY 256 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 3g3k n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32