#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng4 n ASP 2 N 0.00 0.00 -4.77 4.31 5.75 -1.26 -5.07 116.55 115.51 3ng4 n ASP 2 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 3ng4 n ASP 2 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3ng4 n ASP 2 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3ng4 s PRO 3 N 4.33 3.52 0.75 0.11 0.04 -1.26 -4.97 135.00 137.52 3ng4 s PRO 3 Ca 0.00 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 3ng4 s PRO 3 Cb 0.00 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3ng4 s PRO 3 CO 0.00 -0.77 1.22 -1.25 0.04 0.00 0.00 177.00 176.24 3ng4 s PRO 4 N -2.85 1.99 0.57 0.56 0.04 -1.26 -4.96 135.00 129.09 3ng4 s PRO 4 Ca 0.67 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 63.32 3ng4 s PRO 4 Cb -0.31 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3ng4 s PRO 4 CO 0.37 -1.96 1.33 0.00 0.04 0.00 0.00 177.00 176.77 3ng4 s ALA 5 N -1.94 2.71 1.05 8.56 0.00 -1.26 -4.98 121.76 125.89 3ng4 s ALA 5 Ca 0.75 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.87 3ng4 s ALA 5 Cb -0.31 -3.55 0.22 0.00 0.00 0.00 0.00 23.12 19.48 3ng4 s ALA 5 CO 0.47 -1.38 1.08 0.00 0.00 0.00 0.00 175.76 175.92 3ng4 n GLY 7 N 0.31 1.05 3.87 0.00 0.00 -1.26 -4.30 105.19 104.86 3ng4 n GLY 7 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3ng4 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ng4 n SER 8 N 0.00 -3.70 -4.73 1.61 7.64 -1.26 -4.67 113.62 108.51 3ng4 n SER 8 Ca 0.00 -0.80 -0.41 0.00 1.01 0.00 0.00 58.87 58.67 3ng4 n SER 8 Cb 0.00 -3.88 -0.04 0.00 -1.01 0.00 0.00 64.21 59.28 3ng4 n SER 8 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ng4 s ILE 9 N -3.42 4.13 -0.35 0.44 1.01 -1.26 -4.38 121.20 117.38 3ng4 s ILE 9 Ca 0.47 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.59 3ng4 s ILE 9 Cb -0.24 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.12 3ng4 s ILE 9 CO 0.83 0.26 1.18 -0.69 0.00 0.00 0.00 174.94 176.53 3ng4 s VAL 10 N 0.06 4.29 0.72 2.92 1.01 0.48 -4.89 120.40 125.00 3ng4 s VAL 10 Ca 0.50 1.44 -0.15 0.00 0.00 0.00 0.00 61.98 63.77 3ng4 s VAL 10 Cb -0.27 -4.35 0.04 0.00 0.00 0.00 0.00 36.38 31.80 3ng4 s VAL 10 CO 0.32 -0.59 1.19 -2.84 0.00 0.00 0.00 175.10 173.18 3ng4 s PRO 11 N 4.05 2.21 0.23 2.72 0.02 -1.26 -1.14 135.00 141.83 3ng4 s PRO 11 Ca 0.51 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 3ng4 s PRO 11 Cb -0.13 -1.85 0.37 0.00 0.02 0.00 0.00 34.50 32.91 3ng4 s PRO 11 CO 0.22 -1.76 1.75 0.00 -0.33 0.00 0.00 177.00 176.88 3ng4 h ARG 12 N -0.29 0.49 -0.30 5.54 3.08 -1.93 0.15 114.38 121.11 3ng4 h ARG 12 Ca -0.47 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.50 3ng4 h ARG 12 Cb 1.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3ng4 h ARG 12 CO 0.50 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 3ng4 h ARG 13 N 0.51 0.46 -0.59 0.04 3.08 -1.90 -1.85 114.38 114.12 3ng4 h ARG 13 Ca 0.36 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3ng4 h ARG 13 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3ng4 h ARG 13 CO -0.32 0.49 0.24 1.49 -1.07 0.00 0.00 179.97 180.79 3ng4 h GLU 14 N 0.44 0.85 -0.59 0.04 4.81 -1.05 -1.37 114.58 117.72 3ng4 h GLU 14 Ca 0.10 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3ng4 h GLU 14 Cb 0.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ng4 h GLU 14 CO 0.01 0.70 0.00 -2.67 -0.73 0.00 0.00 179.01 176.31 3ng4 n TRP 15 N -4.33 0.93 -3.26 0.92 4.27 -0.98 -4.93 117.44 110.06 3ng4 n TRP 15 Ca 0.05 -0.37 -0.19 0.00 -3.89 0.00 0.00 57.50 53.10 3ng4 n TRP 15 Cb 0.16 -0.16 0.06 0.00 -1.36 0.00 0.00 31.31 30.00 3ng4 n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3ng4 n ARG 16 N 0.64 -5.78 -1.81 -2.67 1.74 -0.52 -4.52 116.66 103.73 3ng4 n ARG 16 Ca 0.16 0.67 -0.39 0.00 -0.77 0.00 0.00 57.85 57.52 3ng4 n ARG 16 Cb 0.59 -5.17 0.03 0.00 -1.02 0.00 0.00 32.46 26.90 3ng4 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ng4 s ALA 17 N -3.21 2.93 0.52 7.54 0.00 -0.73 -4.98 121.76 123.83 3ng4 s ALA 17 Ca 0.42 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.51 3ng4 s ALA 17 Cb -0.18 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 3ng4 s ALA 17 CO 0.51 -1.29 1.19 -0.51 0.00 0.00 0.00 175.76 175.67 3ng4 s LEU 18 N -3.30 3.84 0.45 0.00 1.43 -1.26 -4.84 118.68 115.01 3ng4 s LEU 18 Ca 0.68 2.35 -0.25 0.00 -1.03 0.00 0.00 54.13 55.88 3ng4 s LEU 18 Cb -0.41 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.32 3ng4 s LEU 18 CO 0.49 -1.24 1.38 0.00 0.23 0.00 0.00 176.35 177.22 3ng4 s ALA 19 N -1.58 3.19 0.42 4.21 0.00 -1.26 -4.98 121.76 121.75 3ng4 s ALA 19 Ca 0.70 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.86 3ng4 s ALA 19 Cb -0.29 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 3ng4 s ALA 19 CO 0.34 -1.12 0.91 0.45 0.00 0.00 0.00 175.76 176.34 3ng4 s SER 20 N -0.63 6.85 0.00 0.00 0.15 -1.26 -4.92 113.70 113.88 3ng4 s SER 20 Ca 0.61 1.57 0.04 0.00 0.70 0.00 0.00 55.95 58.88 3ng4 s SER 20 Cb -0.42 -2.50 0.09 0.00 -1.71 0.00 0.00 66.02 61.49 3ng4 s SER 20 CO 0.53 -0.36 0.94 -0.62 1.20 0.00 0.00 173.24 174.93 3ng4 n GLU 21 N -0.75 1.83 -2.32 5.44 -0.58 -0.21 -5.04 120.64 119.02 3ng4 n GLU 21 Ca 0.06 -1.39 -0.37 0.00 -0.42 0.00 0.00 57.16 55.03 3ng4 n GLU 21 Cb 0.54 -1.10 -0.02 0.00 -0.57 0.00 0.00 31.44 30.29 3ng4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ng4 n ARG 23 N -0.19 2.38 -2.07 0.00 1.74 -1.26 -5.07 116.66 112.19 3ng4 n ARG 23 Ca 0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3ng4 n ARG 23 Cb 0.48 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 3ng4 n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ng4 s GLU 24 N -1.29 4.25 0.02 5.56 2.02 -1.26 -4.94 118.70 123.05 3ng4 s GLU 24 Ca 0.00 2.17 -0.05 0.00 0.02 0.00 0.00 54.97 57.11 3ng4 s GLU 24 Cb 0.00 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 3ng4 s GLU 24 CO 0.00 -0.61 0.25 1.03 0.02 0.00 0.00 175.26 175.95 3ng4 s ARG 25 N 2.10 3.54 0.41 1.61 0.52 -1.26 -0.25 118.95 125.62 3ng4 s ARG 25 Ca 0.68 -0.16 -0.14 0.00 -0.52 0.00 0.00 55.73 55.59 3ng4 s ARG 25 Cb -0.37 -3.06 -0.08 0.00 0.52 0.00 0.00 34.95 31.96 3ng4 s ARG 25 CO 0.30 0.64 0.82 -0.51 0.02 0.00 0.00 175.30 176.57 3ng4 s LEU 26 N -1.91 3.87 -0.37 2.53 1.43 0.33 -4.70 118.68 119.85 3ng4 s LEU 26 Ca 0.29 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 3ng4 s LEU 26 Cb -0.13 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3ng4 s LEU 26 CO 0.18 -0.38 0.42 -0.89 0.23 0.00 0.00 176.35 175.92 3ng4 s THR 27 N -2.29 5.10 0.30 5.49 2.01 -1.26 -4.94 115.64 120.06 3ng4 s THR 27 Ca 0.55 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 3ng4 s THR 27 Cb -0.10 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 3ng4 s THR 27 CO 0.25 -0.25 0.64 0.00 -0.69 0.00 0.00 174.62 174.57 3ng4 s ARG 28 N 2.14 3.78 -0.10 4.92 1.70 -1.26 -3.58 118.95 126.55 3ng4 s ARG 28 Ca 0.13 0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 55.42 3ng4 s ARG 28 Cb -0.16 -2.55 -0.02 0.00 -0.57 0.00 0.00 34.95 31.65 3ng4 s ARG 28 CO 0.13 0.17 0.96 -1.25 -1.08 0.00 0.00 175.30 174.23 3ng4 s PRO 29 N -3.30 4.42 0.29 3.89 0.04 -1.26 -5.08 135.00 134.00 3ng4 s PRO 29 Ca 0.48 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 3ng4 s PRO 29 Cb -0.11 -3.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 3ng4 s PRO 29 CO 0.25 -0.26 1.35 0.08 0.04 0.00 0.00 177.00 178.46 3ng4 s VAL 30 N 1.84 2.77 0.00 -0.36 1.01 0.56 -4.37 120.40 121.85 3ng4 s VAL 30 Ca 0.47 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 3ng4 s VAL 30 Cb -0.18 -3.46 -0.30 0.00 0.00 0.00 0.00 36.38 32.44 3ng4 s VAL 30 CO 0.18 0.14 0.87 -0.09 0.00 0.00 0.00 175.10 176.20 3ng4 h ARG 31 N 4.17 0.35 -6.32 2.72 2.43 -1.88 -0.92 114.38 114.92 3ng4 h ARG 31 Ca -0.47 -0.60 -0.60 0.00 -0.81 0.00 0.00 59.98 57.50 3ng4 h ARG 31 Cb 1.22 0.22 -0.13 0.00 -0.42 0.00 0.00 29.97 30.86 3ng4 h ARG 31 CO 0.71 1.25 -0.72 0.71 -1.51 0.00 0.00 179.97 180.40 3ng4 s TYR 32 N -2.61 2.52 -0.08 2.20 2.02 -1.05 -0.77 117.35 119.59 3ng4 s TYR 32 Ca -0.10 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3ng4 s TYR 32 Cb 0.06 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 3ng4 s TYR 32 CO 0.88 0.60 -0.10 0.08 -1.57 0.00 0.00 175.55 175.43 3ng4 s VAL 33 N -2.11 1.06 -0.19 0.71 1.01 -0.35 -1.08 120.40 119.44 3ng4 s VAL 33 Ca 0.28 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3ng4 s VAL 33 Cb -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3ng4 s VAL 33 CO 0.16 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 3ng4 s VAL 34 N 1.00 3.07 -0.23 2.92 1.01 -0.44 -0.61 120.40 127.13 3ng4 s VAL 34 Ca -0.08 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3ng4 s VAL 34 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3ng4 s VAL 34 CO -0.00 0.47 0.27 -0.69 0.00 0.00 0.00 175.10 175.15 3ng4 s VAL 35 N 1.09 5.28 0.31 2.92 1.01 -0.05 -1.34 120.40 129.62 3ng4 s VAL 35 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3ng4 s VAL 35 Cb -0.15 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 3ng4 s VAL 35 CO -0.02 0.29 0.03 -0.94 0.00 0.00 0.00 175.10 174.45 3ng4 s SER 36 N 1.14 2.44 0.19 3.32 1.04 -0.14 -0.62 113.70 121.08 3ng4 s SER 36 Ca 0.13 -1.32 0.08 0.00 0.48 0.00 0.00 55.95 55.31 3ng4 s SER 36 Cb -0.14 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3ng4 s SER 36 CO 0.07 -0.54 -0.02 -1.38 0.98 0.00 0.00 173.24 172.35 3ng4 s HIS 37 N -3.23 2.78 -0.31 5.02 -3.43 -1.26 -1.38 115.29 113.47 3ng4 s HIS 37 Ca 0.34 -0.17 0.25 0.00 -0.80 0.00 0.00 55.06 54.69 3ng4 s HIS 37 Cb 0.08 -1.33 0.58 0.00 -1.43 0.00 0.00 32.58 30.48 3ng4 s HIS 37 CO 0.14 0.53 1.70 1.79 -2.00 0.00 0.00 174.74 176.90 3ng4 h THR 38 N 2.42 0.01 -2.05 -5.38 1.35 -0.91 -3.46 112.91 104.89 3ng4 h THR 38 Ca -0.47 -0.90 -0.39 0.00 -0.55 0.00 0.00 66.41 64.11 3ng4 h THR 38 Cb 1.21 1.89 -0.07 0.00 -1.73 0.00 0.00 68.15 69.45 3ng4 h THR 38 CO 0.58 0.01 -0.45 0.00 -0.25 0.00 0.00 175.52 175.41 3ng4 n ALA 39 N -2.10 -0.47 -3.16 6.62 0.00 -0.06 -4.92 120.51 116.42 3ng4 n ALA 39 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3ng4 n ALA 39 Cb 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3ng4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng4 n GLY 40 N -0.85 5.06 3.76 0.00 0.00 -1.22 -4.77 105.19 107.16 3ng4 n GLY 40 Ca -0.22 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 3ng4 n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 s SER 41 N -0.19 5.69 0.67 1.61 0.01 -1.26 -3.38 113.70 116.86 3ng4 s SER 41 Ca 0.00 2.50 0.02 0.00 1.31 0.00 0.00 55.95 59.78 3ng4 s SER 41 Cb 0.00 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.73 3ng4 s SER 41 CO 0.00 -1.26 0.93 -1.38 0.41 0.00 0.00 173.24 171.94 3ng4 s HIS 42 N -1.46 1.57 -0.01 2.43 -0.00 -1.26 -3.75 115.29 112.82 3ng4 s HIS 42 Ca 0.68 -0.40 -0.23 0.00 -0.00 0.00 0.00 55.06 55.11 3ng4 s HIS 42 Cb -0.33 -2.76 0.05 0.00 -0.00 0.00 0.00 32.58 29.53 3ng4 s HIS 42 CO 0.40 -1.53 0.52 0.00 -0.00 0.00 0.00 174.74 174.13 3ng4 n ASP 44 N 0.87 0.73 -4.01 0.00 5.75 -1.26 -2.38 116.55 116.25 3ng4 n ASP 44 Ca -0.20 -2.19 -0.08 0.00 -0.01 0.00 0.00 54.79 52.31 3ng4 n ASP 44 Cb 0.58 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 40.28 3ng4 n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ng4 s THR 45 N -0.38 0.15 0.24 2.12 -4.23 -1.26 -4.36 115.64 107.92 3ng4 s THR 45 Ca 0.21 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3ng4 s THR 45 Cb 0.23 -0.76 0.21 0.00 1.34 0.00 0.00 72.50 73.52 3ng4 s THR 45 CO -0.08 -0.68 1.73 -0.65 -0.54 0.00 0.00 174.62 174.39 3ng4 h PRO 46 N 4.03 0.42 -0.53 3.99 0.11 -1.97 0.19 132.00 138.24 3ng4 h PRO 46 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ng4 h PRO 46 Cb 1.18 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3ng4 h PRO 46 CO 0.51 0.28 0.34 0.00 -0.21 0.00 0.00 178.00 178.91 3ng4 h ALA 47 N 1.54 0.68 0.00 -0.75 0.00 -1.99 -0.69 119.26 118.04 3ng4 h ALA 47 Ca 0.40 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 3ng4 h ALA 47 Cb 0.61 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ng4 h ALA 47 CO -0.40 0.09 -0.92 0.66 0.00 0.00 0.00 179.25 178.67 3ng4 h SER 48 N 0.69 0.00 0.82 0.00 4.64 -1.78 -2.75 113.55 115.17 3ng4 h SER 48 Ca 0.20 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3ng4 h SER 48 Cb -0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3ng4 h SER 48 CO -0.06 0.92 -0.99 0.00 -0.87 0.00 0.00 176.83 175.83 3ng4 h ALA 50 N 0.95 0.58 -0.87 0.00 0.00 -1.14 0.33 119.26 119.11 3ng4 h ALA 50 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ng4 h ALA 50 Cb 1.70 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3ng4 h ALA 50 CO 0.14 0.14 0.53 0.37 0.00 0.00 0.00 179.25 180.43 3ng4 h GLN 51 N 0.58 1.18 -0.62 0.00 5.75 -1.23 -1.61 115.11 119.16 3ng4 h GLN 51 Ca 0.15 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.47 3ng4 h GLN 51 Cb 0.12 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3ng4 h GLN 51 CO -0.02 0.83 0.07 0.37 -2.65 0.00 0.00 178.83 177.43 3ng4 h GLN 52 N 1.20 1.03 -0.67 1.69 5.75 -0.43 0.12 115.11 123.81 3ng4 h GLN 52 Ca 0.31 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3ng4 h GLN 52 Cb -0.05 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 3ng4 h GLN 52 CO -0.06 0.97 0.42 0.00 -2.65 0.00 0.00 178.83 177.51 3ng4 h ALA 53 N 1.10 0.86 -0.45 3.38 0.00 -0.67 0.22 119.26 123.71 3ng4 h ALA 53 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ng4 h ALA 53 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ng4 h ALA 53 CO 0.02 0.21 0.07 0.37 0.00 0.00 0.00 179.25 179.91 3ng4 h GLN 54 N 0.84 0.69 -0.21 0.00 4.15 -0.80 -1.63 115.11 118.16 3ng4 h GLN 54 Ca 0.26 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 3ng4 h GLN 54 Cb -0.02 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3ng4 h GLN 54 CO -0.09 0.66 -0.24 -0.91 -1.93 0.00 0.00 178.83 176.32 3ng4 h ASN 55 N 0.67 0.58 -0.23 -0.69 2.35 -0.09 0.16 115.58 118.32 3ng4 h ASN 55 Ca 0.15 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3ng4 h ASN 55 Cb 0.31 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3ng4 h ASN 55 CO 0.00 0.95 0.12 0.58 -1.65 0.00 0.00 177.43 177.43 3ng4 h VAL 56 N 0.21 1.00 -0.52 2.81 2.07 -0.80 -1.90 116.25 119.12 3ng4 h VAL 56 Ca 0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ng4 h VAL 56 Cb 0.80 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3ng4 h VAL 56 CO 0.06 0.05 0.21 -0.61 0.02 0.00 0.00 177.57 177.30 3ng4 h GLN 57 N 0.25 0.78 -0.68 1.57 4.15 -1.17 -1.87 115.11 118.15 3ng4 h GLN 57 Ca 0.09 -0.14 0.13 0.00 0.77 0.00 0.00 58.65 59.50 3ng4 h GLN 57 Cb 0.02 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.49 3ng4 h GLN 57 CO -0.06 0.68 0.22 1.03 -1.93 0.00 0.00 178.83 178.77 3ng4 h SER 58 N 0.71 0.15 -0.15 -0.69 0.87 -0.69 0.99 113.55 114.74 3ng4 h SER 58 Ca 0.18 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3ng4 h SER 58 Cb 0.19 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3ng4 h SER 58 CO -0.02 0.06 0.07 0.22 -0.53 0.00 0.00 176.83 176.64 3ng4 h TYR 59 N 0.36 0.22 -0.75 2.24 3.20 -1.03 0.31 116.97 121.52 3ng4 h TYR 59 Ca 0.36 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 3ng4 h TYR 59 Cb 0.54 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3ng4 h TYR 59 CO -0.20 0.28 0.40 0.45 -1.64 0.00 0.00 178.16 177.45 3ng4 h HIS 60 N 0.10 1.04 0.00 -3.82 3.86 -0.56 -1.10 115.15 114.67 3ng4 h HIS 60 Ca 0.05 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3ng4 h HIS 60 Cb 0.15 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3ng4 h HIS 60 CO -0.02 0.74 -0.51 0.28 0.86 0.00 0.00 177.93 179.28 3ng4 h VAL 61 N 1.04 0.40 -0.31 2.45 2.07 -0.75 0.05 116.25 121.20 3ng4 h VAL 61 Ca 0.26 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3ng4 h VAL 61 Cb 0.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3ng4 h VAL 61 CO -0.04 0.14 -0.05 0.03 0.02 0.00 0.00 177.57 177.66 3ng4 h ARG 62 N -1.00 0.57 0.04 1.57 3.08 -0.50 -2.49 114.38 115.65 3ng4 h ARG 62 Ca -0.08 -0.21 -0.31 0.00 0.07 0.00 0.00 59.98 59.45 3ng4 h ARG 62 Cb 0.63 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3ng4 h ARG 62 CO -0.05 0.75 -1.73 0.09 -1.07 0.00 0.00 179.97 177.97 3ng4 n ASN 63 N -4.50 1.96 0.04 7.04 3.02 -0.53 -4.34 115.26 117.95 3ng4 n ASN 63 Ca -0.03 0.32 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 3ng4 n ASN 63 Cb 0.30 -0.88 0.35 0.00 -0.61 0.00 0.00 39.78 38.93 3ng4 n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ng4 n LEU 64 N -4.07 0.51 -0.22 3.41 4.77 -0.53 -4.94 117.00 115.94 3ng4 n LEU 64 Ca -0.36 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3ng4 n LEU 64 Cb 0.83 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3ng4 n LEU 64 CO 0.24 -0.03 -0.03 0.61 -1.33 0.00 0.00 177.39 176.85 3ng4 n GLY 65 N 1.41 0.61 3.83 -0.72 0.00 -0.82 -4.97 105.19 104.52 3ng4 n GLY 65 Ca 0.05 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3ng4 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ng4 s TRP 66 N -2.07 3.21 -0.10 1.61 0.51 -0.06 -4.96 118.94 117.08 3ng4 s TRP 66 Ca 0.00 1.40 0.30 0.00 -2.12 0.00 0.00 56.10 55.68 3ng4 s TRP 66 Cb 0.00 -2.85 1.24 0.00 -0.81 0.00 0.00 33.47 31.05 3ng4 s TRP 66 CO 0.00 -1.14 1.89 0.00 -0.51 0.00 0.00 176.95 177.19 3ng4 s ASP 68 N -5.17 -0.05 0.35 0.00 2.15 -1.26 -1.04 116.67 111.65 3ng4 s ASP 68 Ca 0.02 -0.33 -0.26 0.00 0.43 0.00 0.00 52.55 52.41 3ng4 s ASP 68 Cb 0.09 0.30 -0.12 0.00 -0.30 0.00 0.00 42.92 42.89 3ng4 s ASP 68 CO 0.49 -0.58 1.06 0.55 -0.17 0.00 0.00 175.17 176.53 3ng4 n VAL 69 N -0.63 2.17 0.21 1.11 3.14 -1.26 -4.68 118.33 118.38 3ng4 n VAL 69 Ca -0.04 -0.50 0.08 0.00 -2.96 0.00 0.00 64.34 60.93 3ng4 n VAL 69 Cb 0.61 -1.18 0.39 0.00 -1.06 0.00 0.00 33.84 32.60 3ng4 n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ng4 h GLY 70 N 1.91 0.00 -2.71 7.55 0.00 -1.92 -3.40 103.07 104.50 3ng4 h GLY 70 Ca -0.43 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.42 3ng4 h GLY 70 CO 0.59 0.00 0.20 -0.19 0.00 0.00 0.00 176.54 177.14 3ng4 s TYR 71 N -3.58 3.41 0.15 5.60 2.02 -1.26 0.14 117.35 123.83 3ng4 s TYR 71 Ca 0.01 1.41 -0.08 0.00 -0.37 0.00 0.00 57.07 58.03 3ng4 s TYR 71 Cb 0.10 -2.68 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 3ng4 s TYR 71 CO 0.66 0.06 1.46 -0.91 -1.57 0.00 0.00 175.55 175.24 3ng4 h ASN 72 N 2.35 0.86 -4.99 2.29 2.35 -1.22 -0.46 115.58 116.75 3ng4 h ASN 72 Ca -0.48 -0.45 -0.12 0.00 -0.55 0.00 0.00 56.30 54.70 3ng4 h ASN 72 Cb 1.18 -0.25 -0.20 0.00 0.05 0.00 0.00 38.32 39.10 3ng4 h ASN 72 CO 0.64 1.22 -0.32 -0.36 -1.65 0.00 0.00 177.43 176.95 3ng4 s PHE 73 N -4.14 -0.12 0.06 1.19 0.08 -1.04 -0.82 117.98 113.19 3ng4 s PHE 73 Ca -0.10 0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.18 3ng4 s PHE 73 Cb 0.11 0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.59 3ng4 s PHE 73 CO 0.87 -0.38 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.90 3ng4 s LEU 74 N -1.41 2.51 -0.17 -0.37 1.02 -0.60 -1.52 118.68 118.15 3ng4 s LEU 74 Ca -0.13 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.53 3ng4 s LEU 74 Cb -0.05 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.71 3ng4 s LEU 74 CO 0.03 0.24 -0.17 -0.63 0.02 0.00 0.00 176.35 175.85 3ng4 s ILE 75 N -0.93 2.45 0.22 -0.59 -1.09 0.91 -0.00 121.20 122.17 3ng4 s ILE 75 Ca 0.14 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 3ng4 s ILE 75 Cb -0.10 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 3ng4 s ILE 75 CO 0.05 0.52 0.40 -0.83 -1.23 0.00 0.00 174.94 173.85 3ng4 s GLY 76 N 1.03 1.69 0.00 6.18 0.00 -0.57 -1.02 107.32 114.63 3ng4 s GLY 76 Ca -0.01 -0.89 0.11 0.00 0.00 0.00 0.00 44.72 43.93 3ng4 s GLY 76 CO -0.05 -0.85 1.20 1.18 0.00 0.00 0.00 173.10 174.58 3ng4 n GLU 77 N -0.84 0.70 0.00 2.90 1.02 -1.00 -1.39 120.64 122.04 3ng4 n GLU 77 Ca -0.05 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.24 3ng4 n GLU 77 Cb 0.54 -1.24 0.77 0.00 -0.02 0.00 0.00 31.44 31.50 3ng4 n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ng4 n ASP 78 N -0.74 0.37 -0.18 1.62 5.75 -1.23 -4.72 116.55 117.41 3ng4 n ASP 78 Ca 0.08 -0.88 -0.02 0.00 -0.01 0.00 0.00 54.79 53.95 3ng4 n ASP 78 Cb 0.04 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 3ng4 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ng4 n GLY 79 N 1.13 0.57 3.52 6.12 0.00 -0.48 -4.89 105.19 111.16 3ng4 n GLY 79 Ca 0.20 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 3ng4 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ng4 s LEU 80 N -0.53 2.80 -0.16 0.99 1.43 -1.25 -4.66 118.68 117.30 3ng4 s LEU 80 Ca 0.00 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3ng4 s LEU 80 Cb 0.00 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3ng4 s LEU 80 CO 0.00 0.13 0.11 -0.69 0.23 0.00 0.00 176.35 176.13 3ng4 s VAL 81 N -1.53 5.27 -0.20 -1.59 1.01 -1.26 -1.51 120.40 120.59 3ng4 s VAL 81 Ca 0.22 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 3ng4 s VAL 81 Cb -0.09 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3ng4 s VAL 81 CO 0.13 0.52 0.08 -0.31 0.00 0.00 0.00 175.10 175.51 3ng4 s TYR 82 N -0.22 3.21 0.01 5.22 2.02 1.00 -0.38 117.35 128.21 3ng4 s TYR 82 Ca 0.10 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.48 3ng4 s TYR 82 Cb -0.12 -2.14 -0.06 0.00 -0.40 0.00 0.00 41.96 39.25 3ng4 s TYR 82 CO 0.01 0.03 1.43 -2.00 -1.57 0.00 0.00 175.55 173.44 3ng4 s GLU 83 N 0.74 4.28 0.00 -0.62 2.12 -0.29 -1.55 118.70 123.37 3ng4 s GLU 83 Ca 0.04 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.38 3ng4 s GLU 83 Cb -0.13 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3ng4 s GLU 83 CO 0.02 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 3ng4 n GLY 84 N 3.67 0.91 0.19 -1.50 0.00 -0.00 -4.51 105.19 103.95 3ng4 n GLY 84 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 3ng4 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ng4 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -0.71 -3.47 114.38 114.89 3ng4 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ng4 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ng4 h ARG 85 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3ng4 n GLY 86 N 0.01 -1.80 0.17 0.04 0.00 -0.37 -4.02 105.19 99.22 3ng4 n GLY 86 Ca 0.01 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.50 3ng4 n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ng4 h TRP 87 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -3.38 115.95 112.24 3ng4 h TRP 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3ng4 h TRP 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 3ng4 h TRP 87 CO 0.00 0.42 -1.43 0.09 -0.00 0.00 0.00 178.44 177.52 3ng4 n ASN 88 N -3.33 1.69 -4.79 -3.49 3.02 -1.26 -4.84 115.26 102.26 3ng4 n ASN 88 Ca 0.01 -0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.06 3ng4 n ASN 88 Cb 0.63 1.50 -0.07 0.00 -0.61 0.00 0.00 39.78 41.23 3ng4 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ng4 s ILE 89 N -2.80 5.44 0.12 2.41 -1.09 -1.26 -0.52 121.20 123.50 3ng4 s ILE 89 Ca -0.03 0.22 -0.31 0.00 -2.23 0.00 0.00 60.65 58.30 3ng4 s ILE 89 Cb 0.09 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.43 3ng4 s ILE 89 CO 0.55 0.51 1.56 -0.75 -1.23 0.00 0.00 174.94 175.59 3ng4 s LYS 90 N -0.22 4.23 0.75 2.79 2.20 0.66 -4.69 119.74 125.45 3ng4 s LYS 90 Ca 0.11 2.29 -0.05 0.00 -0.36 0.00 0.00 55.97 57.96 3ng4 s LYS 90 Cb -0.12 -3.34 0.16 0.00 -1.51 0.00 0.00 37.83 33.02 3ng4 s LYS 90 CO 0.01 -0.62 1.03 0.41 -0.36 0.00 0.00 175.35 175.82 3ng4 n GLY 91 N 3.79 0.01 2.58 5.54 0.00 -1.26 -4.87 105.19 110.99 3ng4 n GLY 91 Ca 0.14 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 3ng4 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng4 s ALA 92 N -3.40 2.10 0.00 4.61 0.00 0.12 -4.80 121.76 120.39 3ng4 s ALA 92 Ca 0.65 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3ng4 s ALA 92 Cb -0.03 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3ng4 s ALA 92 CO 0.44 -2.03 0.00 -2.39 0.00 0.00 0.00 175.76 171.77 3ng4 n HIS 93 N 2.86 0.00 -1.35 0.00 1.44 -1.26 -4.45 115.22 112.46 3ng4 n HIS 93 Ca 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 3ng4 n HIS 93 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 3ng4 n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ng4 n ALA 94 N 0.00 1.42 0.00 1.59 0.00 -1.26 -5.04 120.51 117.22 3ng4 n ALA 94 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3ng4 n ALA 94 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3ng4 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng4 n GLY 95 N -0.03 -1.53 0.32 0.00 0.00 -1.26 -4.08 105.19 98.61 3ng4 n GLY 95 Ca 0.00 -1.56 0.20 0.00 0.00 0.00 0.00 46.02 44.66 3ng4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 h PRO 96 N 0.00 0.00 0.16 1.61 0.13 -1.98 0.17 132.00 132.09 3ng4 h PRO 96 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3ng4 h PRO 96 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3ng4 h PRO 96 CO 0.00 0.01 -1.02 1.15 -0.23 0.00 0.00 178.00 177.91 3ng4 h THR 97 N 0.00 1.41 0.03 1.56 2.02 -1.97 -3.40 112.91 112.56 3ng4 h THR 97 Ca -0.00 -2.55 -0.30 0.00 0.77 0.00 0.00 66.41 64.33 3ng4 h THR 97 Cb 0.09 3.12 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 3ng4 h THR 97 CO 0.00 0.74 -1.68 -0.50 0.37 0.00 0.00 175.52 174.45 3ng4 h TRP 98 N -0.26 0.12 -0.69 3.16 4.06 -1.57 -3.39 115.95 117.38 3ng4 h TRP 98 Ca -0.18 -0.09 0.13 0.00 2.06 0.00 0.00 58.89 60.80 3ng4 h TRP 98 Cb 1.76 -0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.83 3ng4 h TRP 98 CO 0.18 1.17 0.24 -0.91 -3.56 0.00 0.00 178.44 175.55 3ng4 h ASN 99 N 0.02 0.18 0.81 -3.49 2.35 -0.89 -2.15 115.58 112.40 3ng4 h ASN 99 Ca -0.28 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3ng4 h ASN 99 Cb 2.00 0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.47 3ng4 h ASN 99 CO 0.09 0.07 0.00 -0.65 -1.65 0.00 0.00 177.43 175.30 3ng4 h PRO 100 N 0.38 0.00 0.00 0.81 0.11 -1.80 -3.27 132.00 128.23 3ng4 h PRO 100 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3ng4 h PRO 100 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3ng4 h PRO 100 CO -0.40 0.00 -0.00 0.44 -0.21 0.00 0.00 178.00 177.83 3ng4 n ILE 101 N -2.76 1.71 -4.02 4.15 -5.35 -0.84 -4.59 119.36 107.67 3ng4 n ILE 101 Ca 0.01 -2.02 -0.10 0.00 -0.27 0.00 0.00 62.75 60.37 3ng4 n ILE 101 Cb 0.25 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 3ng4 n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ng4 s SER 102 N -2.51 0.00 -0.20 7.28 1.04 -1.02 -2.52 113.70 115.78 3ng4 s SER 102 Ca 0.26 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 3ng4 s SER 102 Cb 0.22 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3ng4 s SER 102 CO 0.02 -0.99 -0.01 -0.63 0.98 0.00 0.00 173.24 172.62 3ng4 s ILE 103 N -4.02 3.92 -0.25 -1.02 -1.09 -0.24 -4.78 121.20 113.71 3ng4 s ILE 103 Ca 0.23 -0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 58.22 3ng4 s ILE 103 Cb 0.02 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 3ng4 s ILE 103 CO 0.06 0.44 0.16 -0.83 -1.23 0.00 0.00 174.94 173.53 3ng4 s GLY 104 N 0.94 1.94 -0.04 6.18 0.00 -1.26 -1.32 107.32 113.76 3ng4 s GLY 104 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3ng4 s GLY 104 CO 0.02 0.49 -0.14 -0.26 0.00 0.00 0.00 173.10 173.21 3ng4 s ILE 105 N 1.35 3.06 -0.08 0.90 -4.36 -0.45 -0.71 121.20 120.91 3ng4 s ILE 105 Ca 0.07 -0.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.72 3ng4 s ILE 105 Cb -0.15 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.38 3ng4 s ILE 105 CO 0.07 0.58 -0.08 -0.55 0.24 0.00 0.00 174.94 175.19 3ng4 s SER 106 N -0.78 1.81 -0.07 4.36 0.15 -0.57 -0.96 113.70 117.64 3ng4 s SER 106 Ca 0.12 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 3ng4 s SER 106 Cb -0.11 -0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 63.43 3ng4 s SER 106 CO 0.01 -0.06 1.01 -0.36 1.20 0.00 0.00 173.24 175.04 3ng4 s PHE 107 N 1.22 3.54 -0.80 3.44 0.08 -0.48 -0.06 117.98 124.92 3ng4 s PHE 107 Ca -0.05 1.61 -0.25 0.00 0.12 0.00 0.00 56.93 58.36 3ng4 s PHE 107 Cb -0.14 -3.18 0.04 0.00 -0.57 0.00 0.00 43.02 39.17 3ng4 s PHE 107 CO -0.02 -0.22 1.28 -1.64 -0.10 0.00 0.00 175.22 174.51 3ng4 s MET 108 N 1.73 3.29 0.00 0.44 -1.94 -0.19 -0.90 119.30 121.72 3ng4 s MET 108 Ca 0.50 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 3ng4 s MET 108 Cb -0.19 -4.48 0.00 0.00 2.01 0.00 0.00 34.83 32.16 3ng4 s MET 108 CO 0.21 -2.11 0.00 0.41 -0.01 0.00 0.00 175.02 173.52 3ng4 n GLY 109 N 5.72 -1.51 3.09 -0.03 0.00 -1.25 -4.12 105.19 107.11 3ng4 n GLY 109 Ca 0.10 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 3ng4 n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ng4 s ASN 110 N -3.39 3.82 -0.40 1.61 3.84 -1.22 -0.88 114.94 118.32 3ng4 s ASN 110 Ca 0.00 -1.05 0.05 0.00 0.21 0.00 0.00 52.86 52.08 3ng4 s ASN 110 Cb 0.00 -1.51 0.62 0.00 -0.55 0.00 0.00 41.25 39.81 3ng4 s ASN 110 CO 0.00 -0.10 1.77 -1.22 -2.79 0.00 0.00 177.10 174.76 3ng4 n TYR 111 N 4.52 2.44 -0.17 0.43 4.01 -1.26 -4.45 117.16 122.68 3ng4 n TYR 111 Ca -0.17 -1.78 -0.10 0.00 -0.16 0.00 0.00 57.90 55.68 3ng4 n TYR 111 Cb 0.46 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3ng4 n TYR 111 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3ng4 h MET 112 N 1.01 0.92 0.00 -0.72 2.86 -1.84 -0.17 114.93 116.99 3ng4 h MET 112 Ca 0.51 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3ng4 h MET 112 Cb 2.48 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 34.02 3ng4 h MET 112 CO 0.88 0.98 -0.39 0.09 1.06 0.00 0.00 176.91 179.53 3ng4 n ASN 113 N -4.26 1.65 -3.59 1.22 4.13 -1.26 -3.92 115.26 109.24 3ng4 n ASN 113 Ca 0.01 -3.14 -0.16 0.00 1.68 0.00 0.00 54.58 52.97 3ng4 n ASN 113 Cb 0.36 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 38.11 3ng4 n ASN 113 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3ng4 s ARG 114 N -2.31 0.92 0.16 3.52 0.52 -1.26 -5.07 118.95 115.43 3ng4 s ARG 114 Ca 0.31 0.65 0.03 0.00 -0.52 0.00 0.00 55.73 56.20 3ng4 s ARG 114 Cb 0.30 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 36.17 3ng4 s ARG 114 CO -0.04 -0.20 0.28 0.14 0.02 0.00 0.00 175.30 175.51 3ng4 s VAL 115 N -0.33 5.28 0.48 3.52 -7.23 -1.26 -4.44 120.40 116.43 3ng4 s VAL 115 Ca -0.05 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.19 3ng4 s VAL 115 Cb -0.03 -3.74 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 3ng4 s VAL 115 CO 0.05 -0.12 1.03 -2.84 -0.31 0.00 0.00 175.10 172.91 3ng4 s PRO 116 N -3.30 3.85 0.91 4.82 0.02 -1.26 -4.99 135.00 135.05 3ng4 s PRO 116 Ca 0.34 1.32 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 3ng4 s PRO 116 Cb -0.11 -2.11 0.14 0.00 0.02 0.00 0.00 34.50 32.45 3ng4 s PRO 116 CO 0.28 -0.38 1.10 -1.25 -0.33 0.00 0.00 177.00 176.42 3ng4 s PRO 117 N -3.26 1.09 0.30 5.54 0.04 -1.26 -4.78 135.00 132.67 3ng4 s PRO 117 Ca 0.66 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.91 3ng4 s PRO 117 Cb -0.15 -1.76 0.73 0.00 0.04 0.00 0.00 34.50 33.35 3ng4 s PRO 117 CO 0.19 -2.45 1.75 -1.35 0.04 0.00 0.00 177.00 175.19 3ng4 h PRO 118 N -1.72 0.64 -0.04 0.56 0.11 -1.98 -0.12 132.00 129.45 3ng4 h PRO 118 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ng4 h PRO 118 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ng4 h PRO 118 CO 0.49 0.42 0.01 0.07 -0.21 0.00 0.00 178.00 178.77 3ng4 h ARG 119 N 0.66 0.06 0.02 1.05 0.11 -1.93 0.13 114.38 114.48 3ng4 h ARG 119 Ca 0.57 -0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.41 3ng4 h ARG 119 Cb 0.94 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.01 3ng4 h ARG 119 CO -0.42 0.06 -0.98 0.00 0.10 0.00 0.00 179.97 178.73 3ng4 h ALA 120 N 1.95 0.32 -0.46 0.08 0.00 -1.25 -1.39 119.26 118.50 3ng4 h ALA 120 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 3ng4 h ALA 120 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ng4 h ALA 120 CO -0.00 0.82 -0.26 -0.07 0.00 0.00 0.00 179.25 179.75 3ng4 h LEU 121 N 0.22 1.02 -1.00 0.00 3.38 -1.00 -2.19 115.31 115.74 3ng4 h LEU 121 Ca -0.09 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3ng4 h LEU 121 Cb 1.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3ng4 h LEU 121 CO 0.17 1.21 0.36 0.03 0.09 0.00 0.00 178.44 180.30 3ng4 h ARG 122 N 0.84 1.06 -0.86 1.13 3.08 -0.73 -2.17 114.38 116.73 3ng4 h ARG 122 Ca 0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ng4 h ARG 122 Cb 0.84 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 3ng4 h ARG 122 CO 0.07 0.82 0.49 0.00 -1.07 0.00 0.00 179.97 180.29 3ng4 h ALA 123 N 1.33 1.10 -0.44 0.04 0.00 -0.88 0.15 119.26 120.56 3ng4 h ALA 123 Ca 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ng4 h ALA 123 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ng4 h ALA 123 CO -0.03 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.90 3ng4 h ALA 124 N 1.27 0.58 -0.51 0.00 0.00 -0.84 -1.21 119.26 118.55 3ng4 h ALA 124 Ca 0.30 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ng4 h ALA 124 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ng4 h ALA 124 CO -0.05 0.26 0.04 1.96 0.00 0.00 0.00 179.25 181.46 3ng4 h GLN 125 N 0.57 0.87 -0.56 0.00 1.08 -1.01 -2.03 115.11 114.03 3ng4 h GLN 125 Ca 0.14 -0.26 0.11 0.00 -1.45 0.00 0.00 58.65 57.19 3ng4 h GLN 125 Cb 0.33 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.58 3ng4 h GLN 125 CO 0.00 0.88 0.03 -0.97 -0.95 0.00 0.00 178.83 177.82 3ng4 h ASN 126 N 0.74 -0.19 -0.13 1.46 -0.73 -0.79 -1.18 115.58 114.77 3ng4 h ASN 126 Ca 0.15 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.45 3ng4 h ASN 126 Cb 0.46 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 3ng4 h ASN 126 CO 0.02 -0.07 0.08 0.25 -0.37 0.00 0.00 177.43 177.34 3ng4 h LEU 127 N 0.15 0.15 -0.73 0.34 5.85 -0.69 -1.25 115.31 119.12 3ng4 h LEU 127 Ca 0.29 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 3ng4 h LEU 127 Cb 0.45 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ng4 h LEU 127 CO -0.45 0.13 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.59 3ng4 h LEU 128 N 0.16 0.84 -0.56 2.25 3.38 -1.03 0.27 115.31 120.62 3ng4 h LEU 128 Ca 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3ng4 h LEU 128 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3ng4 h LEU 128 CO -0.01 0.97 0.31 0.00 0.09 0.00 0.00 178.44 179.80 3ng4 h ALA 129 N 1.10 0.72 -0.82 1.53 0.00 -1.08 -1.02 119.26 119.69 3ng4 h ALA 129 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ng4 h ALA 129 Cb 0.62 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ng4 h ALA 129 CO 0.04 0.23 0.51 0.00 0.00 0.00 0.00 179.25 180.04 3ng4 h GLY 131 N 1.14 0.82 0.82 0.00 0.00 0.29 -0.86 103.07 105.27 3ng4 h GLY 131 Ca 0.30 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3ng4 h GLY 131 CO -0.06 0.54 -0.09 -2.08 0.00 0.00 0.00 176.54 174.85 3ng4 h VAL 132 N 0.70 1.30 -0.26 4.60 2.07 -0.62 0.30 116.25 124.34 3ng4 h VAL 132 Ca 0.13 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.53 3ng4 h VAL 132 Cb 0.53 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3ng4 h VAL 132 CO 0.03 0.35 0.17 0.00 0.02 0.00 0.00 177.57 178.14 3ng4 h ALA 133 N 0.72 1.91 0.00 1.67 0.00 -0.59 0.46 119.26 123.43 3ng4 h ALA 133 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ng4 h ALA 133 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ng4 h ALA 133 CO 0.03 0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.20 3ng4 h LEU 134 N 0.27 0.00 0.00 0.00 3.38 -0.97 -3.47 115.31 114.52 3ng4 h LEU 134 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ng4 h LEU 134 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ng4 h LEU 134 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3ng4 n GLY 135 N 1.12 0.72 0.15 0.83 0.00 0.15 -4.92 105.19 103.23 3ng4 n GLY 135 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3ng4 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng4 h ALA 136 N 0.00 0.48 -4.01 4.61 0.00 -1.18 -3.35 119.26 115.81 3ng4 h ALA 136 Ca 0.00 -0.69 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 3ng4 h ALA 136 Cb 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.52 3ng4 h ALA 136 CO 0.00 0.84 -0.82 -0.51 0.00 0.00 0.00 179.25 178.76 3ng4 s LEU 137 N -7.67 2.54 0.56 0.00 1.43 -0.76 -0.33 118.68 114.45 3ng4 s LEU 137 Ca -0.05 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 3ng4 s LEU 137 Cb 0.10 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3ng4 s LEU 137 CO 0.85 0.25 1.13 0.00 0.23 0.00 0.00 176.35 178.81 3ng4 s ARG 138 N -1.45 3.26 0.31 1.70 1.70 -0.35 -4.21 118.95 119.92 3ng4 s ARG 138 Ca 0.14 1.60 0.07 0.00 -0.47 0.00 0.00 55.73 57.07 3ng4 s ARG 138 Cb -0.10 -1.99 0.76 0.00 -0.57 0.00 0.00 34.95 33.05 3ng4 s ARG 138 CO 0.05 -0.93 1.79 0.66 -1.08 0.00 0.00 175.30 175.79 3ng4 h SER 139 N 1.03 0.76 -1.91 -2.89 4.64 -1.92 -1.45 113.55 111.81 3ng4 h SER 139 Ca -0.50 0.09 -0.74 0.00 -0.47 0.00 0.00 61.79 60.17 3ng4 h SER 139 Cb 1.26 -0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 3ng4 h SER 139 CO 0.56 0.28 0.82 -0.46 -0.87 0.00 0.00 176.83 177.17 3ng4 n ASN 140 N -4.73 7.16 -4.72 4.97 6.94 -1.26 -5.01 115.26 118.60 3ng4 n ASN 140 Ca 0.23 -3.82 -0.32 0.00 -0.02 0.00 0.00 54.58 50.64 3ng4 n ASN 140 Cb 0.57 -0.99 0.11 0.00 -2.36 0.00 0.00 39.78 37.12 3ng4 n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3ng4 s TYR 141 N -4.00 2.12 -0.08 -2.53 -0.85 -0.55 -5.01 117.35 106.44 3ng4 s TYR 141 Ca 0.52 1.65 0.02 0.00 -0.52 0.00 0.00 57.07 58.74 3ng4 s TYR 141 Cb 0.44 -3.29 -0.02 0.00 0.38 0.00 0.00 41.96 39.47 3ng4 s TYR 141 CO -0.38 -2.35 -0.15 -1.21 -1.52 0.00 0.00 175.55 169.93 3ng4 s GLU 142 N -4.42 2.87 -0.17 -3.49 2.02 0.05 -4.81 118.70 110.75 3ng4 s GLU 142 Ca 0.68 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.86 3ng4 s GLU 142 Cb -0.23 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3ng4 s GLU 142 CO 0.51 0.42 0.10 0.08 0.02 0.00 0.00 175.26 176.40 3ng4 s VAL 143 N -0.21 5.14 0.11 2.63 1.01 0.54 -1.21 120.40 128.42 3ng4 s VAL 143 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.16 3ng4 s VAL 143 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3ng4 s VAL 143 CO 0.03 0.49 -0.24 -0.54 0.00 0.00 0.00 175.10 174.84 3ng4 s LYS 144 N 0.01 1.29 0.33 2.72 -0.14 0.22 -1.40 119.74 122.78 3ng4 s LYS 144 Ca 0.08 -1.24 -0.21 0.00 -1.36 0.00 0.00 55.97 53.24 3ng4 s LYS 144 Cb -0.12 -1.66 -0.10 0.00 -1.68 0.00 0.00 37.83 34.27 3ng4 s LYS 144 CO 0.00 0.39 0.85 0.20 -0.76 0.00 0.00 175.35 176.04 3ng4 s GLY 145 N -1.93 2.56 0.26 -3.33 0.00 -1.26 -0.87 107.32 102.75 3ng4 s GLY 145 Ca 0.10 0.31 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 3ng4 s GLY 145 CO 0.05 0.64 1.74 0.84 0.00 0.00 0.00 173.10 176.37 3ng4 h HIS 146 N 2.72 0.67 0.00 1.90 2.76 -1.00 0.21 115.15 122.41 3ng4 h HIS 146 Ca -0.48 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3ng4 h HIS 146 Cb 1.19 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3ng4 h HIS 146 CO 0.62 0.12 0.00 2.89 -1.30 0.00 0.00 177.93 180.26 3ng4 n ARG 147 N -4.93 0.12 0.23 5.26 1.85 0.24 -1.55 116.66 117.87 3ng4 n ARG 147 Ca 0.17 0.45 0.12 0.00 -1.00 0.00 0.00 57.85 57.59 3ng4 n ARG 147 Cb 0.45 -1.77 0.24 0.00 -1.05 0.00 0.00 32.46 30.33 3ng4 n ARG 147 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3ng4 h ASP 148 N 0.00 0.00 0.00 2.89 3.32 -0.88 -3.35 116.42 118.40 3ng4 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ng4 h ASP 148 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ng4 h ASP 148 CO 0.00 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 178.86 3ng4 n VAL 149 N -3.10 0.00 -3.76 -1.35 0.24 -0.59 -5.01 118.33 104.76 3ng4 n VAL 149 Ca 0.03 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 3ng4 n VAL 149 Cb 0.50 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 3ng4 n VAL 149 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3ng4 s GLN 150 N -0.70 0.76 -0.79 7.34 -0.21 -0.63 -4.96 119.66 120.48 3ng4 s GLN 150 Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 55.36 54.72 3ng4 s GLN 150 Cb 0.00 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.34 3ng4 s GLN 150 CO 0.00 -0.24 1.64 -1.25 -2.12 0.00 0.00 175.29 173.33 3ng4 s PRO 151 N -2.17 2.95 0.21 2.91 0.04 -1.26 -4.18 135.00 133.50 3ng4 s PRO 151 Ca -0.08 -0.14 -0.22 0.00 0.04 0.00 0.00 61.00 60.60 3ng4 s PRO 151 Cb -0.02 -4.66 0.05 0.00 0.04 0.00 0.00 34.50 29.91 3ng4 s PRO 151 CO -0.01 -2.61 0.66 -0.08 0.04 0.00 0.00 177.00 175.00 3ng4 s THR 152 N 7.61 0.00 -0.27 1.26 -1.32 -1.26 -5.01 115.64 116.64 3ng4 s THR 152 Ca 0.55 -0.43 0.21 0.00 -1.21 0.00 0.00 61.69 60.81 3ng4 s THR 152 Cb -0.08 -1.43 0.10 0.00 -1.51 0.00 0.00 72.50 69.58 3ng4 s THR 152 CO 0.09 0.00 1.25 -0.07 -2.21 0.00 0.00 174.62 173.68 3ng4 h LEU 153 N 2.00 0.00 -9.58 9.08 3.38 -1.97 -3.39 115.31 114.83 3ng4 h LEU 153 Ca -0.27 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.11 3ng4 h LEU 153 Cb 1.28 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.13 3ng4 h LEU 153 CO 0.31 0.15 0.37 -0.24 0.09 0.00 0.00 178.44 179.13 3ng4 n SER 154 N -2.92 2.12 -1.85 -0.43 2.88 -1.26 0.05 113.62 112.21 3ng4 n SER 154 Ca 0.00 1.18 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 3ng4 n SER 154 Cb 0.61 -1.38 0.17 0.00 -0.75 0.00 0.00 64.21 62.86 3ng4 n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3ng4 n PRO 155 N 1.02 2.32 0.00 -1.46 -0.04 -1.26 -0.60 135.00 134.99 3ng4 n PRO 155 Ca 0.09 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 3ng4 n PRO 155 Cb 0.33 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 3ng4 n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ng4 n GLY 156 N -0.50 -0.65 0.29 0.55 0.00 0.11 -4.24 105.19 100.76 3ng4 n GLY 156 Ca 0.40 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 45.22 3ng4 n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ng4 h ASP 157 N 0.00 0.12 -0.22 1.61 3.32 -1.71 0.18 116.42 119.72 3ng4 h ASP 157 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3ng4 h ASP 157 Cb 0.00 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3ng4 h ASP 157 CO 0.00 -0.03 -0.44 0.03 -1.72 0.00 0.00 179.24 177.07 3ng4 h ARG 158 N 0.31 0.70 -0.23 3.56 2.47 -1.14 -2.16 114.38 117.89 3ng4 h ARG 158 Ca 0.48 -0.45 -0.17 0.00 -1.26 0.00 0.00 59.98 58.58 3ng4 h ARG 158 Cb 0.87 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3ng4 h ARG 158 CO -0.53 1.07 -0.54 1.25 0.56 0.00 0.00 179.97 181.78 3ng4 h LEU 159 N 0.41 0.76 -0.82 3.04 5.85 -1.46 -3.13 115.31 119.95 3ng4 h LEU 159 Ca 0.01 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3ng4 h LEU 159 Cb 1.05 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3ng4 h LEU 159 CO 0.10 1.15 0.52 0.22 -0.34 0.00 0.00 178.44 180.09 3ng4 h TYR 160 N 0.53 0.97 -0.08 1.25 3.20 -0.44 -0.67 116.97 121.74 3ng4 h TYR 160 Ca 0.01 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3ng4 h TYR 160 Cb 1.11 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3ng4 h TYR 160 CO 0.06 0.54 -0.39 1.05 -1.64 0.00 0.00 178.16 177.78 3ng4 h GLU 161 N 1.00 0.17 -0.36 1.82 4.11 -1.40 -1.91 114.58 118.00 3ng4 h GLU 161 Ca 0.33 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.62 3ng4 h GLU 161 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ng4 h GLU 161 CO -0.13 0.54 -0.06 0.82 0.07 0.00 0.00 179.01 180.25 3ng4 h ILE 162 N 0.14 1.27 -0.78 -1.06 2.04 -1.27 -3.01 117.51 114.84 3ng4 h ILE 162 Ca 0.01 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 3ng4 h ILE 162 Cb 0.76 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3ng4 h ILE 162 CO 0.06 0.36 0.39 0.40 0.00 0.00 0.00 178.15 179.36 3ng4 h ILE 163 N 0.48 1.24 0.00 -0.67 1.08 -0.65 0.94 117.51 119.92 3ng4 h ILE 163 Ca 0.10 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3ng4 h ILE 163 Cb 0.55 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3ng4 h ILE 163 CO 0.03 0.28 0.04 1.56 -0.69 0.00 0.00 178.15 179.37 3ng4 h GLN 164 N 1.11 0.00 0.00 2.37 4.20 -1.22 -1.02 115.11 120.54 3ng4 h GLN 164 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3ng4 h GLN 164 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3ng4 h GLN 164 CO -0.04 0.00 -0.63 0.25 -0.67 0.00 0.00 178.83 177.74 3ng4 n THR 165 N -2.50 0.04 -2.21 -0.54 -2.24 0.32 -4.90 114.28 102.25 3ng4 n THR 165 Ca -0.02 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3ng4 n THR 165 Cb 0.08 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3ng4 n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3ng4 s TRP 166 N -3.03 3.20 0.51 4.78 0.52 -0.39 -4.91 118.94 119.62 3ng4 s TRP 166 Ca 0.10 1.44 0.16 0.00 0.02 0.00 0.00 56.10 57.82 3ng4 s TRP 166 Cb 0.17 -3.58 1.25 0.00 -1.15 0.00 0.00 33.47 30.15 3ng4 s TRP 166 CO 0.74 -1.58 2.14 0.66 0.02 0.00 0.00 176.95 178.92 3ng4 h SER 167 N 3.82 0.03 0.25 2.95 4.64 -1.91 -0.51 113.55 122.81 3ng4 h SER 167 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ng4 h SER 167 Cb 1.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ng4 h SER 167 CO 0.68 0.02 -0.12 1.41 -0.87 0.00 0.00 176.83 177.95 3ng4 n HIS 168 N -4.53 0.00 -2.15 4.77 8.25 -1.26 -4.90 115.22 115.40 3ng4 n HIS 168 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 3ng4 n HIS 168 Cb 0.11 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 3ng4 n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ng4 s TYR 169 N -2.37 2.92 -0.14 4.41 5.04 -0.20 -0.34 117.35 126.67 3ng4 s TYR 169 Ca 0.31 1.47 -0.04 0.00 -2.44 0.00 0.00 57.07 56.37 3ng4 s TYR 169 Cb 0.20 -3.55 0.05 0.00 0.35 0.00 0.00 41.96 39.01 3ng4 s TYR 169 CO 0.46 -1.77 0.10 1.03 -1.34 0.00 0.00 175.55 174.02 3ng4 s ARG 170 N -2.26 0.03 0.00 4.97 1.81 -0.49 -4.79 118.95 118.22 3ng4 s ARG 170 Ca 0.57 0.09 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 3ng4 s ARG 170 Cb -0.35 -1.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.78 3ng4 s ARG 170 CO 0.45 -0.57 0.49 0.00 -0.68 0.00 0.00 175.30 174.98