#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng4 s ASP 2 N 0.00 5.22 -0.92 -1.84 2.15 -1.26 -5.00 116.67 115.02 3ng4 s ASP 2 Ca 0.00 -1.59 -0.02 0.00 0.43 0.00 0.00 52.55 51.37 3ng4 s ASP 2 Cb 0.00 -1.83 0.23 0.00 -0.30 0.00 0.00 42.92 41.03 3ng4 s ASP 2 CO 0.00 -0.43 0.86 -0.81 -0.17 0.00 0.00 175.17 174.63 3ng4 n PRO 3 N 4.69 2.84 -2.85 4.34 -0.05 -1.26 -4.73 135.00 137.98 3ng4 n PRO 3 Ca -0.08 -4.49 -0.20 0.00 -0.05 0.00 0.00 63.50 58.67 3ng4 n PRO 3 Cb 0.43 -2.42 0.02 0.00 -0.05 0.00 0.00 33.50 31.48 3ng4 n PRO 3 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 175.50 174.20 3ng4 s PRO 4 N -1.53 2.73 -1.39 0.54 0.04 -1.26 -5.03 135.00 129.10 3ng4 s PRO 4 Ca 0.29 -0.87 -0.13 0.00 0.04 0.00 0.00 61.00 60.33 3ng4 s PRO 4 Cb -0.05 -2.59 0.09 0.00 0.04 0.00 0.00 34.50 31.98 3ng4 s PRO 4 CO -0.10 -0.48 2.07 0.00 0.04 0.00 0.00 177.00 178.53 3ng4 n ALA 5 N -2.13 5.36 0.25 8.56 0.00 -1.26 -4.63 120.51 126.66 3ng4 n ALA 5 Ca 0.06 -4.04 0.12 0.00 0.00 0.00 0.00 53.44 49.58 3ng4 n ALA 5 Cb 0.59 -3.34 0.02 0.00 0.00 0.00 0.00 19.45 16.72 3ng4 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ng4 s GLY 7 N -4.14 1.71 -0.16 0.00 0.00 -1.26 -4.82 107.32 98.65 3ng4 s GLY 7 Ca 0.01 -2.73 -0.04 0.00 0.00 0.00 0.00 44.72 41.96 3ng4 s GLY 7 CO 0.79 2.42 2.91 1.44 0.00 0.00 0.00 173.10 180.65 3ng4 n SER 8 N 7.63 5.74 -4.86 1.64 7.64 -1.26 -4.92 113.62 125.23 3ng4 n SER 8 Ca 0.35 -2.73 -0.37 0.00 1.01 0.00 0.00 58.87 57.13 3ng4 n SER 8 Cb 0.48 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.44 5.38 -0.30 0.44 1.01 -1.26 -4.32 121.20 121.70 3ng4 s ILE 9 Ca 0.48 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 3ng4 s ILE 9 Cb 0.27 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 3ng4 s ILE 9 CO -0.06 0.60 1.37 -0.69 0.00 0.00 0.00 174.94 176.16 3ng4 s VAL 10 N -0.97 4.03 0.53 2.92 1.01 0.14 -4.88 120.40 123.18 3ng4 s VAL 10 Ca 0.17 1.15 -0.22 0.00 0.00 0.00 0.00 61.98 63.09 3ng4 s VAL 10 Cb -0.13 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3ng4 s VAL 10 CO 0.06 -0.49 1.31 -2.84 0.00 0.00 0.00 175.10 173.15 3ng4 s PRO 11 N 4.36 3.25 0.21 2.72 0.02 -1.26 -1.16 135.00 143.15 3ng4 s PRO 11 Ca 0.59 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.62 3ng4 s PRO 11 Cb -0.17 -2.27 0.28 0.00 0.02 0.00 0.00 34.50 32.36 3ng4 s PRO 11 CO 0.25 -1.06 1.65 0.00 -0.33 0.00 0.00 177.00 177.51 3ng4 h ARG 12 N 1.55 0.08 -0.99 5.54 3.08 -1.94 -0.67 114.38 121.02 3ng4 h ARG 12 Ca -0.51 -0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.71 3ng4 h ARG 12 Cb 1.29 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.22 3ng4 h ARG 12 CO 0.58 0.05 0.61 -0.09 -1.07 0.00 0.00 179.97 180.05 3ng4 h ARG 13 N 0.08 0.80 -0.05 0.04 2.43 -1.91 0.67 114.38 116.44 3ng4 h ARG 13 Ca 0.32 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3ng4 h ARG 13 Cb 0.52 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3ng4 h ARG 13 CO -0.56 0.53 -0.19 1.49 -1.51 0.00 0.00 179.97 179.72 3ng4 h GLU 14 N 0.82 0.07 -0.54 0.20 4.81 -1.49 -1.00 114.58 117.46 3ng4 h GLU 14 Ca 0.55 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3ng4 h GLU 14 Cb 0.77 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3ng4 h GLU 14 CO -0.35 0.27 0.00 -2.67 -0.73 0.00 0.00 179.01 175.53 3ng4 n TRP 15 N -4.27 0.70 -3.09 0.92 4.27 -0.17 -4.94 117.44 110.86 3ng4 n TRP 15 Ca -0.02 -0.35 -0.13 0.00 -3.89 0.00 0.00 57.50 53.11 3ng4 n TRP 15 Cb 0.28 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.27 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 1.48 -4.52 -2.06 -2.67 1.74 0.05 -4.59 116.66 106.09 3ng4 n ARG 16 Ca 0.21 0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 57.39 3ng4 n ARG 16 Cb 0.59 -4.46 -0.00 0.00 -1.02 0.00 0.00 32.46 27.57 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 -3.19 3.16 0.62 7.54 0.00 -0.42 -4.96 121.76 124.51 3ng4 s ALA 17 Ca 0.29 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 3ng4 s ALA 17 Cb -0.13 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3ng4 s ALA 17 CO 0.42 -0.85 1.16 -0.51 0.00 0.00 0.00 175.76 175.98 3ng4 s LEU 18 N -2.64 3.56 0.38 0.00 1.43 -1.26 -4.83 118.68 115.31 3ng4 s LEU 18 Ca 0.60 2.23 -0.27 0.00 -1.03 0.00 0.00 54.13 55.66 3ng4 s LEU 18 Cb -0.37 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.16 3ng4 s LEU 18 CO 0.46 -1.61 1.26 0.00 0.23 0.00 0.00 176.35 176.69 3ng4 n ALA 19 N -1.91 1.19 -1.92 4.21 0.00 -1.26 -4.97 120.51 115.84 3ng4 n ALA 19 Ca 0.12 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 3ng4 n ALA 19 Cb 0.51 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 3ng4 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ng4 s SER 20 N -0.43 7.16 0.00 0.00 0.15 -1.26 -4.91 113.70 114.40 3ng4 s SER 20 Ca 0.58 1.64 0.14 0.00 0.70 0.00 0.00 55.95 59.01 3ng4 s SER 20 Cb -0.55 -2.51 0.27 0.00 -1.71 0.00 0.00 66.02 61.53 3ng4 s SER 20 CO 0.60 -0.08 1.16 -0.62 1.20 0.00 0.00 173.24 175.51 3ng4 n GLU 21 N 0.41 2.00 -2.85 5.44 1.02 0.34 -5.01 120.64 121.99 3ng4 n GLU 21 Ca 0.01 -1.83 -0.38 0.00 -0.02 0.00 0.00 57.16 54.94 3ng4 n GLU 21 Cb 0.51 -1.32 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 3ng4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ng4 n ARG 23 N 0.83 3.62 -2.03 0.00 5.12 -1.26 -5.07 116.66 117.88 3ng4 n ARG 23 Ca -0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.50 3ng4 n ARG 23 Cb 0.50 -0.42 -0.02 0.00 -1.16 0.00 0.00 32.46 31.35 3ng4 n ARG 23 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3ng4 s GLU 24 N -0.32 4.27 0.02 5.56 2.12 -1.26 -4.94 118.70 124.15 3ng4 s GLU 24 Ca 0.00 2.28 -0.01 0.00 0.36 0.00 0.00 54.97 57.59 3ng4 s GLU 24 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 3ng4 s GLU 24 CO 0.00 -0.43 0.19 1.03 -0.54 0.00 0.00 175.26 175.51 3ng4 s ARG 25 N -0.12 3.42 0.44 4.30 0.52 -1.26 -0.59 118.95 125.66 3ng4 s ARG 25 Ca 0.60 -0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 55.36 3ng4 s ARG 25 Cb -0.41 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 3ng4 s ARG 25 CO 0.41 0.65 0.77 -0.51 0.02 0.00 0.00 175.30 176.63 3ng4 s LEU 26 N -2.18 3.72 -0.30 2.53 1.43 -0.04 -4.61 118.68 119.24 3ng4 s LEU 26 Ca 0.30 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.30 3ng4 s LEU 26 Cb -0.13 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 3ng4 s LEU 26 CO 0.22 -0.50 0.13 0.42 0.23 0.00 0.00 176.35 176.86 3ng4 s THR 27 N -2.58 4.49 0.29 5.49 -4.23 -1.26 -4.87 115.64 112.97 3ng4 s THR 27 Ca 0.48 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 3ng4 s THR 27 Cb -0.10 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 3ng4 s THR 27 CO 0.39 0.13 0.66 0.00 -0.54 0.00 0.00 174.62 175.26 3ng4 s ARG 28 N 1.60 3.91 0.01 3.99 1.70 -1.26 -3.46 118.95 125.45 3ng4 s ARG 28 Ca 0.05 0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 55.50 3ng4 s ARG 28 Cb -0.17 -2.52 -0.03 0.00 -0.57 0.00 0.00 34.95 31.66 3ng4 s ARG 28 CO 0.05 0.21 1.00 -1.25 -1.08 0.00 0.00 175.30 174.24 3ng4 s PRO 29 N -2.96 4.56 0.15 3.89 0.04 -1.25 -5.06 135.00 134.37 3ng4 s PRO 29 Ca 0.51 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3ng4 s PRO 29 Cb -0.11 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 3ng4 s PRO 29 CO 0.20 -0.05 1.10 0.08 0.04 0.00 0.00 177.00 178.37 3ng4 s VAL 30 N 0.95 3.94 0.03 -0.36 1.01 0.58 -4.51 120.40 122.04 3ng4 s VAL 30 Ca 0.52 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.19 3ng4 s VAL 30 Cb -0.22 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 3ng4 s VAL 30 CO 0.28 0.25 0.93 -0.09 0.00 0.00 0.00 175.10 176.47 3ng4 h ARG 31 N 5.40 0.06 -6.61 2.72 2.43 -1.88 0.27 114.38 116.75 3ng4 h ARG 31 Ca -0.44 -0.10 -0.65 0.00 -0.81 0.00 0.00 59.98 57.98 3ng4 h ARG 31 Cb 1.21 0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 30.62 3ng4 h ARG 31 CO 0.74 0.82 -0.79 0.71 -1.51 0.00 0.00 179.97 179.94 3ng4 s TYR 32 N -2.64 2.47 -0.09 2.20 2.02 -1.14 -0.60 117.35 119.55 3ng4 s TYR 32 Ca -0.04 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3ng4 s TYR 32 Cb 0.08 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.42 3ng4 s TYR 32 CO 0.83 0.46 -0.10 0.08 -1.57 0.00 0.00 175.55 175.25 3ng4 s VAL 33 N -1.50 1.10 -0.18 0.71 1.01 -0.12 -1.04 120.40 120.37 3ng4 s VAL 33 Ca 0.21 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3ng4 s VAL 33 Cb -0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3ng4 s VAL 33 CO 0.11 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 3ng4 s VAL 34 N 1.22 3.51 -0.23 2.92 1.01 0.24 -0.30 120.40 128.76 3ng4 s VAL 34 Ca -0.04 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3ng4 s VAL 34 Cb -0.14 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3ng4 s VAL 34 CO -0.03 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3ng4 s VAL 35 N 0.85 4.89 0.42 2.92 1.01 0.02 -1.62 120.40 128.88 3ng4 s VAL 35 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3ng4 s VAL 35 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3ng4 s VAL 35 CO 0.01 0.36 0.06 -0.94 0.00 0.00 0.00 175.10 174.58 3ng4 s SER 36 N 1.18 3.26 0.11 3.32 1.04 -0.56 -0.73 113.70 121.31 3ng4 s SER 36 Ca 0.06 -1.55 0.06 0.00 0.48 0.00 0.00 55.95 54.99 3ng4 s SER 36 Cb -0.14 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3ng4 s SER 36 CO 0.04 -0.76 -0.14 -1.38 0.98 0.00 0.00 173.24 171.99 3ng4 s HIS 37 N -3.05 1.36 -0.94 5.02 -3.43 -1.26 -1.55 115.29 111.44 3ng4 s HIS 37 Ca 0.23 -0.55 0.27 0.00 -0.80 0.00 0.00 55.06 54.21 3ng4 s HIS 37 Cb 0.05 -0.72 1.10 0.00 -1.43 0.00 0.00 32.58 31.58 3ng4 s HIS 37 CO 0.12 0.12 1.85 0.25 -2.00 0.00 0.00 174.74 175.09 3ng4 n THR 38 N 0.64 0.22 -0.82 -5.38 -2.24 -0.37 -4.85 114.28 101.48 3ng4 n THR 38 Ca -0.16 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3ng4 n THR 38 Cb 0.57 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3ng4 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ng4 n ALA 39 N -1.56 0.00 -2.19 6.98 0.00 -0.17 -4.88 120.51 118.68 3ng4 n ALA 39 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ng4 n ALA 39 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.69 2.80 3.78 0.00 0.00 -1.21 -4.45 105.19 105.42 3ng4 n GLY 40 Ca 0.00 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 3ng4 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ng4 s SER 41 N -0.61 6.35 0.51 1.61 1.04 -1.26 -2.26 113.70 119.07 3ng4 s SER 41 Ca 0.00 2.17 0.07 0.00 0.48 0.00 0.00 55.95 58.66 3ng4 s SER 41 Cb 0.00 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.57 3ng4 s SER 41 CO 0.00 -0.79 0.70 -1.38 0.98 0.00 0.00 173.24 172.75 3ng4 s HIS 42 N -1.65 2.35 -0.05 5.02 -0.00 -1.26 -3.56 115.29 116.15 3ng4 s HIS 42 Ca 0.63 -0.41 -0.08 0.00 -0.00 0.00 0.00 55.06 55.20 3ng4 s HIS 42 Cb -0.25 -2.45 0.01 0.00 -0.00 0.00 0.00 32.58 29.90 3ng4 s HIS 42 CO 0.30 -0.79 0.19 0.00 -0.00 0.00 0.00 174.74 174.43 3ng4 n ASP 44 N 2.38 1.58 -3.87 0.00 5.68 -1.26 -1.69 116.55 119.36 3ng4 n ASP 44 Ca -0.16 -3.00 -0.11 0.00 -0.50 0.00 0.00 54.79 51.01 3ng4 n ASP 44 Cb 0.57 -0.42 -0.10 0.00 -1.14 0.00 0.00 41.12 40.03 3ng4 n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3ng4 s THR 45 N -1.97 0.08 0.36 2.12 -4.23 -1.26 -4.42 115.64 106.32 3ng4 s THR 45 Ca 0.36 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3ng4 s THR 45 Cb 0.38 -0.40 0.30 0.00 1.34 0.00 0.00 72.50 74.11 3ng4 s THR 45 CO -0.10 -0.35 1.94 -0.65 -0.54 0.00 0.00 174.62 174.91 3ng4 h PRO 46 N 4.44 0.74 -0.33 3.99 0.10 -1.96 0.45 132.00 139.43 3ng4 h PRO 46 Ca -0.30 -0.04 -0.05 0.00 0.10 0.00 0.00 66.00 65.70 3ng4 h PRO 46 Cb 1.20 -0.17 -0.01 0.00 0.10 0.00 0.00 31.00 32.12 3ng4 h PRO 46 CO 0.41 0.49 0.01 0.00 0.10 0.00 0.00 178.00 179.01 3ng4 h ALA 47 N 1.60 0.44 0.02 -0.75 0.00 -2.00 -1.48 119.26 117.09 3ng4 h ALA 47 Ca 0.34 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 3ng4 h ALA 47 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ng4 h ALA 47 CO -0.12 0.19 -1.09 0.66 0.00 0.00 0.00 179.25 178.88 3ng4 h SER 48 N 0.39 0.05 0.74 0.00 4.64 -1.85 -2.63 113.55 114.88 3ng4 h SER 48 Ca 0.10 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 3ng4 h SER 48 Cb 0.43 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3ng4 h SER 48 CO 0.01 1.05 -0.66 0.00 -0.87 0.00 0.00 176.83 176.36 3ng4 h ALA 50 N 1.34 0.61 -0.40 0.00 0.00 -1.19 -0.07 119.26 119.54 3ng4 h ALA 50 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3ng4 h ALA 50 Cb 1.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ng4 h ALA 50 CO 0.09 0.22 -0.03 0.37 0.00 0.00 0.00 179.25 179.90 3ng4 h GLN 51 N 0.61 0.72 -0.76 0.00 5.75 -1.22 -2.06 115.11 118.16 3ng4 h GLN 51 Ca 0.15 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3ng4 h GLN 51 Cb 0.21 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 3ng4 h GLN 51 CO -0.01 0.83 0.49 0.37 -2.65 0.00 0.00 178.83 177.85 3ng4 h GLN 52 N 0.54 0.94 -0.83 1.69 5.75 -0.61 0.11 115.11 122.69 3ng4 h GLN 52 Ca 0.11 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3ng4 h GLN 52 Cb 0.52 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 3ng4 h GLN 52 CO 0.03 0.62 0.46 0.00 -2.65 0.00 0.00 178.83 177.29 3ng4 h ALA 53 N 1.31 1.06 -0.74 3.38 0.00 -0.84 0.75 119.26 124.18 3ng4 h ALA 53 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ng4 h ALA 53 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3ng4 h ALA 53 CO -0.09 0.56 0.38 1.96 0.00 0.00 0.00 179.25 182.05 3ng4 h GLN 54 N 1.15 1.05 -0.48 0.00 4.20 -0.61 0.56 115.11 120.99 3ng4 h GLN 54 Ca 0.29 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 3ng4 h GLN 54 Cb 0.02 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3ng4 h GLN 54 CO -0.05 0.80 0.05 -0.91 -0.67 0.00 0.00 178.83 178.05 3ng4 h ASN 55 N 1.03 0.78 -0.39 1.46 2.35 0.23 0.37 115.58 121.42 3ng4 h ASN 55 Ca 0.26 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3ng4 h ASN 55 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3ng4 h ASN 55 CO -0.04 0.87 0.13 0.58 -1.65 0.00 0.00 177.43 177.32 3ng4 h VAL 56 N 0.67 1.21 -0.51 2.81 2.07 -0.68 -0.62 116.25 121.19 3ng4 h VAL 56 Ca 0.14 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3ng4 h VAL 56 Cb 0.44 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ng4 h VAL 56 CO 0.02 0.23 0.12 -0.61 0.02 0.00 0.00 177.57 177.34 3ng4 h GLN 57 N 0.48 0.79 -0.60 1.57 4.15 -0.64 -2.44 115.11 118.41 3ng4 h GLN 57 Ca 0.13 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3ng4 h GLN 57 Cb 0.23 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3ng4 h GLN 57 CO -0.01 0.72 0.27 1.03 -1.93 0.00 0.00 178.83 178.91 3ng4 h SER 58 N 0.76 0.80 -0.31 -0.69 0.87 0.20 0.13 113.55 115.30 3ng4 h SER 58 Ca 0.17 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3ng4 h SER 58 Cb 0.29 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3ng4 h SER 58 CO -0.00 0.72 0.15 0.22 -0.53 0.00 0.00 176.83 177.39 3ng4 h TYR 59 N 0.82 0.27 -0.31 2.24 3.20 -0.71 0.40 116.97 122.88 3ng4 h TYR 59 Ca 0.20 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 3ng4 h TYR 59 Cb 0.15 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3ng4 h TYR 59 CO 0.00 0.15 -0.10 0.45 -1.64 0.00 0.00 178.16 177.02 3ng4 h HIS 60 N 0.31 0.71 0.04 -3.82 3.86 -0.95 -0.68 115.15 114.63 3ng4 h HIS 60 Ca 0.13 -0.16 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 3ng4 h HIS 60 Cb 0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3ng4 h HIS 60 CO -0.10 0.82 -0.76 0.28 0.86 0.00 0.00 177.93 179.03 3ng4 h VAL 61 N 0.39 1.34 0.18 2.45 2.07 -0.68 0.97 116.25 122.96 3ng4 h VAL 61 Ca 0.08 -2.33 -0.30 0.00 0.82 0.00 0.00 66.70 64.96 3ng4 h VAL 61 Cb 0.61 2.89 0.02 0.00 -1.52 0.00 0.00 31.29 33.28 3ng4 h VAL 61 CO 0.04 0.55 -1.36 0.03 0.02 0.00 0.00 177.57 176.85 3ng4 h ARG 62 N -0.78 0.37 0.00 1.57 3.08 -0.33 -2.91 114.38 115.39 3ng4 h ARG 62 Ca -0.18 -0.64 -0.28 0.00 0.07 0.00 0.00 59.98 58.95 3ng4 h ARG 62 Cb 1.32 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 31.57 3ng4 h ARG 62 CO -0.03 1.30 -1.80 0.09 -1.07 0.00 0.00 179.97 178.46 3ng4 n ASN 63 N -3.60 1.93 0.04 7.04 3.02 -0.76 -4.30 115.26 118.63 3ng4 n ASN 63 Ca -0.12 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 3ng4 n ASN 63 Cb 1.06 -0.83 0.48 0.00 -0.61 0.00 0.00 39.78 39.88 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 -4.36 0.29 -1.58 3.41 4.77 -0.33 -4.92 117.00 114.27 3ng4 n LEU 64 Ca -0.37 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 3ng4 n LEU 64 Cb 0.71 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3ng4 n LEU 64 CO 0.11 -0.18 -0.18 0.61 -1.33 0.00 0.00 177.39 176.41 3ng4 n GLY 65 N 0.88 0.28 3.90 -0.72 0.00 -0.91 -4.95 105.19 103.65 3ng4 n GLY 65 Ca 0.05 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.71 3.30 -0.40 1.61 0.51 0.29 -4.94 118.94 116.60 3ng4 s TRP 66 Ca 0.00 0.88 0.25 0.00 -2.12 0.00 0.00 56.10 55.11 3ng4 s TRP 66 Cb 0.00 -2.93 1.04 0.00 -0.81 0.00 0.00 33.47 30.77 3ng4 s TRP 66 CO 0.00 -1.02 1.76 0.00 -0.51 0.00 0.00 176.95 177.17 3ng4 s ASP 68 N -4.47 -0.04 0.33 0.00 2.15 -1.26 -0.51 116.67 112.86 3ng4 s ASP 68 Ca 0.04 -0.17 -0.28 0.00 0.43 0.00 0.00 52.55 52.57 3ng4 s ASP 68 Cb 0.09 0.17 -0.13 0.00 -0.30 0.00 0.00 42.92 42.76 3ng4 s ASP 68 CO 0.42 -0.33 1.18 0.55 -0.17 0.00 0.00 175.17 176.82 3ng4 n VAL 69 N -0.61 2.02 0.28 1.11 3.14 -1.26 -4.61 118.33 118.40 3ng4 n VAL 69 Ca -0.05 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.98 3ng4 n VAL 69 Cb 0.62 -1.34 0.51 0.00 -1.06 0.00 0.00 33.84 32.56 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 2.30 0.00 -3.03 7.55 0.00 -1.93 -3.42 103.07 104.55 3ng4 h GLY 70 Ca -0.44 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.39 3ng4 h GLY 70 CO 0.62 0.00 0.01 -0.19 0.00 0.00 0.00 176.54 176.98 3ng4 s TYR 71 N -3.49 3.42 0.08 5.60 2.02 -1.26 -0.17 117.35 123.55 3ng4 s TYR 71 Ca 0.03 1.01 -0.13 0.00 -0.37 0.00 0.00 57.07 57.62 3ng4 s TYR 71 Cb 0.08 -2.39 -0.21 0.00 -0.40 0.00 0.00 41.96 39.04 3ng4 s TYR 71 CO 0.57 0.11 1.21 -0.91 -1.57 0.00 0.00 175.55 174.96 3ng4 h ASN 72 N 2.05 0.87 -5.02 2.29 2.35 -1.09 -0.81 115.58 116.22 3ng4 h ASN 72 Ca -0.47 -0.69 -0.13 0.00 -0.55 0.00 0.00 56.30 54.46 3ng4 h ASN 72 Cb 1.18 -0.27 -0.19 0.00 0.05 0.00 0.00 38.32 39.09 3ng4 h ASN 72 CO 0.66 1.49 -0.41 -0.36 -1.65 0.00 0.00 177.43 177.17 3ng4 s PHE 73 N -3.33 0.00 0.13 1.19 0.08 -1.06 -0.63 117.98 114.37 3ng4 s PHE 73 Ca -0.09 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 56.93 3ng4 s PHE 73 Cb 0.07 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.47 3ng4 s PHE 73 CO 0.92 -0.36 -0.16 -0.51 -0.10 0.00 0.00 175.22 175.00 3ng4 s LEU 74 N -1.66 2.79 -0.15 -0.37 1.02 -0.08 -1.50 118.68 118.73 3ng4 s LEU 74 Ca -0.11 -0.55 -0.00 0.00 0.02 0.00 0.00 54.13 53.49 3ng4 s LEU 74 Cb -0.05 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.57 3ng4 s LEU 74 CO -0.00 0.16 -0.13 -0.63 0.02 0.00 0.00 176.35 175.77 3ng4 s ILE 75 N -1.28 2.89 0.29 -0.59 -1.09 0.88 0.28 121.20 122.58 3ng4 s ILE 75 Ca 0.20 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 3ng4 s ILE 75 Cb -0.10 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3ng4 s ILE 75 CO 0.12 0.51 0.47 -0.83 -1.23 0.00 0.00 174.94 173.98 3ng4 s GLY 76 N 0.69 1.41 0.00 6.18 0.00 -0.43 -1.05 107.32 114.12 3ng4 s GLY 76 Ca -0.07 -0.96 0.32 0.00 0.00 0.00 0.00 44.72 44.01 3ng4 s GLY 76 CO 0.02 -0.92 2.20 1.18 0.00 0.00 0.00 173.10 175.58 3ng4 n GLU 77 N -1.45 1.04 0.00 2.90 1.02 -0.68 -1.51 120.64 121.95 3ng4 n GLU 77 Ca -0.06 -0.06 0.15 0.00 -0.02 0.00 0.00 57.16 57.17 3ng4 n GLU 77 Cb 0.56 -1.50 0.83 0.00 -0.02 0.00 0.00 31.44 31.31 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 -0.92 0.00 -0.05 1.62 5.75 -1.20 -4.67 116.55 117.08 3ng4 n ASP 78 Ca 0.24 -0.59 -0.01 0.00 -0.01 0.00 0.00 54.79 54.42 3ng4 n ASP 78 Cb 0.13 -0.13 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.04 0.44 3.36 6.12 0.00 -0.57 -4.90 105.19 110.68 3ng4 n GLY 79 Ca 0.19 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.16 2.23 -0.08 0.99 1.43 -1.25 -4.62 118.68 117.22 3ng4 s LEU 80 Ca 0.00 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 3ng4 s LEU 80 Cb 0.00 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 3ng4 s LEU 80 CO 0.00 0.27 0.32 -0.69 0.23 0.00 0.00 176.35 176.48 3ng4 s VAL 81 N -0.79 5.22 -0.15 -1.59 1.01 -1.26 -1.31 120.40 121.53 3ng4 s VAL 81 Ca 0.12 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 3ng4 s VAL 81 Cb -0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3ng4 s VAL 81 CO 0.02 0.51 -0.04 -0.31 0.00 0.00 0.00 175.10 175.28 3ng4 s TYR 82 N -0.48 3.02 -0.06 5.22 2.02 0.14 0.27 117.35 127.48 3ng4 s TYR 82 Ca 0.20 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 3ng4 s TYR 82 Cb -0.14 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3ng4 s TYR 82 CO 0.08 -0.04 1.57 -2.00 -1.57 0.00 0.00 175.55 173.59 3ng4 s GLU 83 N 0.35 4.20 0.00 -0.62 2.12 -0.31 -0.90 118.70 123.54 3ng4 s GLU 83 Ca -0.04 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.38 3ng4 s GLU 83 Cb -0.14 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.36 3ng4 s GLU 83 CO 0.03 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 3ng4 n GLY 84 N 4.00 0.53 0.17 -1.50 0.00 0.08 -4.46 105.19 104.00 3ng4 n GLY 84 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.75 -3.47 114.38 114.85 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 -0.06 -1.61 0.21 0.04 0.00 0.20 -3.96 105.19 100.00 3ng4 n GLY 86 Ca 0.01 -1.32 0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 4.06 -1.94 -3.36 115.95 116.31 3ng4 h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ng4 h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3ng4 h TRP 87 CO 0.00 0.26 -0.92 0.09 -3.56 0.00 0.00 178.44 174.31 3ng4 n ASN 88 N -3.38 0.92 -4.55 -3.49 5.03 -1.26 -4.80 115.26 103.73 3ng4 n ASN 88 Ca 0.00 -0.62 -0.34 0.00 0.87 0.00 0.00 54.58 54.49 3ng4 n ASN 88 Cb 0.47 1.17 -0.12 0.00 -1.02 0.00 0.00 39.78 40.28 3ng4 n ASN 88 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ng4 s ILE 89 N -2.51 3.64 0.18 2.41 -1.09 -1.25 -0.86 121.20 121.71 3ng4 s ILE 89 Ca 0.03 -0.49 -0.31 0.00 -2.23 0.00 0.00 60.65 57.65 3ng4 s ILE 89 Cb 0.10 -2.50 -0.09 0.00 -1.58 0.00 0.00 42.46 38.39 3ng4 s ILE 89 CO 0.59 0.58 1.39 -0.75 -1.23 0.00 0.00 174.94 175.52 3ng4 s LYS 90 N -0.52 4.32 0.81 2.79 2.20 0.24 -4.69 119.74 124.88 3ng4 s LYS 90 Ca 0.08 2.15 -0.05 0.00 -0.36 0.00 0.00 55.97 57.79 3ng4 s LYS 90 Cb -0.12 -3.19 0.16 0.00 -1.51 0.00 0.00 37.83 33.18 3ng4 s LYS 90 CO 0.02 -0.39 1.11 0.20 -0.36 0.00 0.00 175.35 175.93 3ng4 s GLY 91 N 0.70 1.77 -0.49 5.54 0.00 -1.26 -4.90 107.32 108.67 3ng4 s GLY 91 Ca 0.62 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.69 3ng4 s GLY 91 CO 0.36 -1.02 0.39 0.00 0.00 0.00 0.00 173.10 172.83 3ng4 n ALA 92 N -3.15 3.02 -0.06 3.20 0.00 0.76 -4.81 120.51 119.45 3ng4 n ALA 92 Ca 0.16 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 50.09 3ng4 n ALA 92 Cb 0.60 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3ng4 n ALA 92 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ng4 n HIS 93 N 2.54 0.00 -1.87 0.00 1.44 -1.26 -4.42 115.22 111.66 3ng4 n HIS 93 Ca 0.27 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 3ng4 n HIS 93 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 1.85 0.00 1.59 0.00 -1.26 -5.04 120.51 117.65 3ng4 n ALA 94 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3ng4 n ALA 94 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.00 -0.11 0.23 0.00 0.00 -1.26 -4.19 105.19 99.86 3ng4 n GLY 95 Ca 0.00 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.01 1.61 0.13 -1.98 0.24 132.00 132.01 3ng4 h PRO 96 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 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 0.23 -1.05 1.15 -0.23 0.00 0.00 178.00 178.10 3ng4 h THR 97 N 0.00 1.30 0.00 1.56 2.02 -1.99 -3.36 112.91 112.44 3ng4 h THR 97 Ca -0.00 -2.31 -0.18 0.00 0.77 0.00 0.00 66.41 64.69 3ng4 h THR 97 Cb 0.55 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 3ng4 h THR 97 CO 0.03 0.71 -1.89 0.79 0.37 0.00 0.00 175.52 175.53 3ng4 n TRP 98 N -3.82 0.38 -0.15 3.16 7.02 -1.18 -4.48 117.44 118.37 3ng4 n TRP 98 Ca -0.10 0.13 -0.06 0.00 -1.02 0.00 0.00 57.50 56.45 3ng4 n TRP 98 Cb 0.89 -0.89 0.03 0.00 -2.42 0.00 0.00 31.31 28.92 3ng4 n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3ng4 h ASN 99 N 0.00 0.36 0.58 -0.99 2.35 -0.66 -2.12 115.58 115.10 3ng4 h ASN 99 Ca -0.24 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3ng4 h ASN 99 Cb 1.62 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3ng4 h ASN 99 CO 0.03 0.25 0.00 -0.81 -1.65 0.00 0.00 177.43 175.25 3ng4 n PRO 100 N -4.88 0.12 0.00 0.81 -0.04 -1.26 -3.49 135.00 126.25 3ng4 n PRO 100 Ca 0.03 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3ng4 n PRO 100 Cb 0.10 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3ng4 n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3ng4 n ILE 101 N -1.96 0.74 -4.25 0.52 -5.35 -0.92 -4.54 119.36 103.60 3ng4 n ILE 101 Ca 0.02 -0.83 -0.14 0.00 -0.27 0.00 0.00 62.75 61.54 3ng4 n ILE 101 Cb 0.19 0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 38.63 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 -0.74 0.98 -0.13 7.28 1.04 -0.84 -2.91 113.70 118.38 3ng4 s SER 102 Ca 0.00 -1.26 -0.04 0.00 0.48 0.00 0.00 55.95 55.13 3ng4 s SER 102 Cb 0.00 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 3ng4 s SER 102 CO 0.00 -0.67 -0.01 -0.63 0.98 0.00 0.00 173.24 172.92 3ng4 s ILE 103 N -3.79 4.18 -0.31 -1.02 -1.09 -0.21 -4.75 121.20 114.22 3ng4 s ILE 103 Ca 0.29 -0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 58.36 3ng4 s ILE 103 Cb 0.07 -2.81 -0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3ng4 s ILE 103 CO 0.07 0.53 0.14 -0.83 -1.23 0.00 0.00 174.94 173.62 3ng4 s GLY 104 N -0.10 1.85 -0.11 6.18 0.00 -1.26 -0.60 107.32 113.28 3ng4 s GLY 104 Ca 0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 3ng4 s GLY 104 CO 0.02 0.69 -0.08 -0.26 0.00 0.00 0.00 173.10 173.47 3ng4 s ILE 105 N 1.58 3.54 -0.07 0.90 -4.36 -0.64 -0.50 121.20 121.65 3ng4 s ILE 105 Ca 0.04 -0.51 0.04 0.00 -0.26 0.00 0.00 60.65 59.96 3ng4 s ILE 105 Cb -0.17 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3ng4 s ILE 105 CO 0.05 0.55 -0.18 -0.55 0.24 0.00 0.00 174.94 175.05 3ng4 s SER 106 N -0.13 2.39 -0.03 4.36 0.15 -0.56 -1.49 113.70 118.38 3ng4 s SER 106 Ca 0.01 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 55.98 3ng4 s SER 106 Cb -0.13 -0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 3ng4 s SER 106 CO 0.03 0.12 0.85 -0.36 1.20 0.00 0.00 173.24 175.09 3ng4 s PHE 107 N 0.31 3.62 -0.75 3.44 0.08 -0.59 -0.09 117.98 124.00 3ng4 s PHE 107 Ca -0.12 1.49 -0.24 0.00 0.12 0.00 0.00 56.93 58.18 3ng4 s PHE 107 Cb -0.15 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.38 3ng4 s PHE 107 CO 0.05 0.03 1.14 -1.64 -0.10 0.00 0.00 175.22 174.69 3ng4 s MET 108 N 0.95 3.23 0.00 0.44 -1.94 -0.21 -1.24 119.30 120.53 3ng4 s MET 108 Ca 0.45 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 3ng4 s MET 108 Cb -0.19 -4.38 0.00 0.00 2.01 0.00 0.00 34.83 32.26 3ng4 s MET 108 CO 0.23 -1.97 0.00 0.41 -0.01 0.00 0.00 175.02 173.68 3ng4 n GLY 109 N 5.51 -0.74 3.22 -0.03 0.00 -1.23 -4.10 105.19 107.82 3ng4 n GLY 109 Ca 0.05 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.45 3.83 -0.35 1.61 3.84 -0.96 -1.00 114.94 119.45 3ng4 s ASN 110 Ca 0.00 -0.55 0.07 0.00 0.21 0.00 0.00 52.86 52.59 3ng4 s ASN 110 Cb 0.00 -1.63 0.51 0.00 -0.55 0.00 0.00 41.25 39.59 3ng4 s ASN 110 CO 0.00 -0.02 1.54 -1.22 -2.79 0.00 0.00 177.10 174.61 3ng4 n TYR 111 N 4.71 1.77 0.09 0.43 4.01 -1.26 -4.25 117.16 122.66 3ng4 n TYR 111 Ca -0.19 -1.88 -0.15 0.00 -0.16 0.00 0.00 57.90 55.52 3ng4 n TYR 111 Cb 0.50 -0.63 -0.09 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.26 0.35 0.00 -0.72 2.86 -1.84 -2.32 114.93 114.52 3ng4 h MET 112 Ca 0.33 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3ng4 h MET 112 Cb 1.69 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.51 3ng4 h MET 112 CO 0.65 1.17 -0.05 0.09 1.06 0.00 0.00 176.91 179.83 3ng4 n ASN 113 N -3.65 1.85 -3.88 1.22 3.02 -1.26 -4.27 115.26 108.30 3ng4 n ASN 113 Ca -0.08 -2.47 -0.11 0.00 -0.03 0.00 0.00 54.58 51.89 3ng4 n ASN 113 Cb 0.93 -0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 39.76 3ng4 n ASN 113 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ng4 s ARG 114 N -1.77 0.35 0.08 3.52 0.52 -1.26 -5.10 118.95 115.30 3ng4 s ARG 114 Ca 0.16 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 3ng4 s ARG 114 Cb 0.14 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 3ng4 s ARG 114 CO 0.01 -0.07 0.17 0.14 0.02 0.00 0.00 175.30 175.57 3ng4 s VAL 115 N -0.95 5.05 0.64 3.52 -7.23 -1.26 -4.43 120.40 115.75 3ng4 s VAL 115 Ca -0.10 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 3ng4 s VAL 115 Cb -0.06 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 3ng4 s VAL 115 CO 0.01 0.10 1.21 -2.84 -0.31 0.00 0.00 175.10 173.27 3ng4 s PRO 116 N -2.56 2.67 0.77 4.82 0.02 -1.26 -4.98 135.00 134.48 3ng4 s PRO 116 Ca 0.33 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 3ng4 s PRO 116 Cb -0.12 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.56 3ng4 s PRO 116 CO 0.26 -1.44 1.10 -1.25 -0.33 0.00 0.00 177.00 175.34 3ng4 s PRO 117 N -3.56 2.21 0.54 5.54 0.04 -1.26 -4.78 135.00 133.73 3ng4 s PRO 117 Ca 0.76 1.26 0.23 0.00 0.04 0.00 0.00 61.00 63.30 3ng4 s PRO 117 Cb -0.30 -1.89 1.41 0.00 0.04 0.00 0.00 34.50 33.77 3ng4 s PRO 117 CO 0.38 -1.69 2.07 -1.35 0.04 0.00 0.00 177.00 176.45 3ng4 h PRO 118 N -0.99 0.00 0.00 0.56 0.11 -1.97 0.52 132.00 130.22 3ng4 h PRO 118 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3ng4 h PRO 118 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ng4 h PRO 118 CO 0.51 0.00 -0.39 0.07 -0.21 0.00 0.00 178.00 177.97 3ng4 h ARG 119 N 0.00 0.00 0.08 1.05 0.11 -1.91 -0.56 114.38 113.14 3ng4 h ARG 119 Ca 0.13 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.92 3ng4 h ARG 119 Cb 0.54 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.65 3ng4 h ARG 119 CO -0.00 0.39 -1.17 0.00 0.10 0.00 0.00 179.97 179.29 3ng4 h ALA 120 N 1.61 0.06 -0.78 0.08 0.00 -1.11 -2.09 119.26 117.02 3ng4 h ALA 120 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 3ng4 h ALA 120 Cb 0.89 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ng4 h ALA 120 CO 0.05 0.70 0.28 -0.07 0.00 0.00 0.00 179.25 180.22 3ng4 h LEU 121 N 0.31 1.09 -0.65 0.00 3.38 -1.20 -1.62 115.31 116.63 3ng4 h LEU 121 Ca -0.16 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 3ng4 h LEU 121 Cb 1.83 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 3ng4 h LEU 121 CO 0.22 0.99 -0.00 0.03 0.09 0.00 0.00 178.44 179.77 3ng4 h ARG 122 N 1.14 1.06 -0.31 1.13 3.08 -1.12 -1.16 114.38 118.20 3ng4 h ARG 122 Ca 0.26 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3ng4 h ARG 122 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3ng4 h ARG 122 CO -0.02 1.03 0.09 0.00 -1.07 0.00 0.00 179.97 180.01 3ng4 h ALA 123 N 1.02 0.34 -0.18 0.04 0.00 -1.04 0.96 119.26 120.41 3ng4 h ALA 123 Ca 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ng4 h ALA 123 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ng4 h ALA 123 CO 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 179.25 178.96 3ng4 h ALA 124 N 1.21 0.24 -0.63 0.00 0.00 -1.07 -0.61 119.26 118.40 3ng4 h ALA 124 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ng4 h ALA 124 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ng4 h ALA 124 CO -0.16 -0.04 0.40 1.96 0.00 0.00 0.00 179.25 181.41 3ng4 h GLN 125 N 0.06 0.84 -0.55 0.00 1.08 -1.01 -1.80 115.11 113.74 3ng4 h GLN 125 Ca 0.05 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3ng4 h GLN 125 Cb 0.40 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3ng4 h GLN 125 CO 0.01 0.58 0.13 -0.97 -0.95 0.00 0.00 178.83 177.63 3ng4 h ASN 126 N 0.85 0.79 -0.41 1.46 -1.24 -0.72 -1.56 115.58 114.75 3ng4 h ASN 126 Ca 0.23 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3ng4 h ASN 126 Cb -0.06 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 3ng4 h ASN 126 CO -0.05 0.78 0.02 0.25 -1.29 0.00 0.00 177.43 177.14 3ng4 h LEU 127 N 0.81 0.70 -0.77 0.34 5.85 -0.58 -0.86 115.31 120.80 3ng4 h LEU 127 Ca 0.18 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3ng4 h LEU 127 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ng4 h LEU 127 CO -0.00 0.82 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.61 3ng4 h LEU 128 N 0.55 0.67 -0.91 2.25 3.38 -1.03 -0.15 115.31 120.08 3ng4 h LEU 128 Ca 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3ng4 h LEU 128 Cb 0.46 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3ng4 h LEU 128 CO 0.02 0.90 0.34 0.00 0.09 0.00 0.00 178.44 179.79 3ng4 h ALA 129 N 1.15 1.14 -0.11 1.53 0.00 -1.14 -0.84 119.26 120.99 3ng4 h ALA 129 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ng4 h ALA 129 Cb 0.73 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ng4 h ALA 129 CO 0.06 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 3ng4 h GLY 131 N 0.02 1.32 0.91 0.00 0.00 -0.28 0.11 103.07 105.15 3ng4 h GLY 131 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3ng4 h GLY 131 CO -0.09 0.29 0.01 -2.08 0.00 0.00 0.00 176.54 174.66 3ng4 h VAL 132 N 1.01 1.25 -0.74 4.60 2.07 -0.84 0.21 116.25 123.81 3ng4 h VAL 132 Ca 0.38 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ng4 h VAL 132 Cb 0.15 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3ng4 h VAL 132 CO -0.17 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.18 3ng4 h ALA 133 N 0.86 1.39 0.00 1.67 0.00 -0.14 -0.88 119.26 122.17 3ng4 h ALA 133 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ng4 h ALA 133 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ng4 h ALA 133 CO 0.02 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3ng4 n LEU 134 N -4.39 0.45 0.00 0.00 4.77 0.30 -4.89 117.00 113.25 3ng4 n LEU 134 Ca 0.08 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3ng4 n LEU 134 Cb 0.07 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3ng4 n LEU 134 CO 0.37 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3ng4 n GLY 135 N 0.87 0.47 0.07 -0.72 0.00 -0.33 -4.91 105.19 100.64 3ng4 n GLY 135 Ca 0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 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 0.39 -3.73 4.61 0.00 -0.83 -3.34 119.26 116.36 3ng4 h ALA 136 Ca 0.00 -0.88 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 3ng4 h ALA 136 Cb 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 17.79 17.45 3ng4 h ALA 136 CO 0.00 1.20 -0.82 -0.51 0.00 0.00 0.00 179.25 179.13 3ng4 s LEU 137 N -6.80 2.60 0.44 0.00 1.43 -0.75 -0.30 118.68 115.30 3ng4 s LEU 137 Ca 0.01 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 3ng4 s LEU 137 Cb 0.10 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 3ng4 s LEU 137 CO 0.82 0.17 1.16 -0.13 0.23 0.00 0.00 176.35 178.60 3ng4 s ARG 138 N -2.16 3.86 0.46 1.70 0.52 0.08 -4.37 118.95 119.04 3ng4 s ARG 138 Ca 0.17 1.78 0.13 0.00 -0.52 0.00 0.00 55.73 57.29 3ng4 s ARG 138 Cb -0.10 -2.48 1.03 0.00 0.52 0.00 0.00 34.95 33.92 3ng4 s ARG 138 CO 0.09 -0.47 2.05 0.66 0.02 0.00 0.00 175.30 177.65 3ng4 h SER 139 N 2.22 0.12 -1.03 0.23 4.64 -1.91 -0.13 113.55 117.69 3ng4 h SER 139 Ca -0.49 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.15 3ng4 h SER 139 Cb 1.24 -0.03 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 3ng4 h SER 139 CO 0.61 0.18 0.67 -0.46 -0.87 0.00 0.00 176.83 176.96 3ng4 n ASN 140 N -4.42 7.34 -4.52 4.97 6.94 -1.26 -5.03 115.26 119.28 3ng4 n ASN 140 Ca -0.01 -3.79 -0.35 0.00 -0.02 0.00 0.00 54.58 50.41 3ng4 n ASN 140 Cb 0.16 -0.90 0.09 0.00 -2.36 0.00 0.00 39.78 36.78 3ng4 n ASN 140 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ng4 n TYR 141 N -0.87 -0.33 -4.88 -2.53 0.18 -0.06 -4.98 117.16 103.68 3ng4 n TYR 141 Ca 0.60 0.34 -0.33 0.00 1.88 0.00 0.00 57.90 60.39 3ng4 n TYR 141 Cb 0.67 -1.95 -0.15 0.00 -0.38 0.00 0.00 39.34 37.54 3ng4 n TYR 141 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3ng4 s GLU 142 N -3.30 3.14 -0.17 -3.48 2.02 0.23 -4.76 118.70 112.38 3ng4 s GLU 142 Ca 0.66 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.82 3ng4 s GLU 142 Cb -0.31 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 3ng4 s GLU 142 CO 0.58 0.29 0.19 0.08 0.02 0.00 0.00 175.26 176.42 3ng4 s VAL 143 N 0.12 5.38 0.19 2.63 1.01 0.55 -0.95 120.40 129.33 3ng4 s VAL 143 Ca -0.07 0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.34 3ng4 s VAL 143 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3ng4 s VAL 143 CO 0.05 0.45 -0.21 -0.54 0.00 0.00 0.00 175.10 174.85 3ng4 s LYS 144 N 0.15 1.61 0.30 2.72 -0.14 0.59 -2.16 119.74 122.80 3ng4 s LYS 144 Ca 0.12 -1.48 -0.10 0.00 -1.36 0.00 0.00 55.97 53.16 3ng4 s LYS 144 Cb -0.12 -1.90 -0.07 0.00 -1.68 0.00 0.00 37.83 34.06 3ng4 s LYS 144 CO 0.01 0.41 0.63 0.20 -0.76 0.00 0.00 175.35 175.84 3ng4 s GLY 145 N -2.69 2.12 0.25 -3.33 0.00 -1.26 -0.80 107.32 101.60 3ng4 s GLY 145 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 3ng4 s GLY 145 CO 0.11 -0.12 1.77 0.84 0.00 0.00 0.00 173.10 175.69 3ng4 h HIS 146 N 2.02 0.70 0.00 1.90 2.76 -1.07 0.92 115.15 122.38 3ng4 h HIS 146 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3ng4 h HIS 146 Cb 1.18 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3ng4 h HIS 146 CO 0.60 0.20 0.00 2.89 -1.30 0.00 0.00 177.93 180.32 3ng4 n ARG 147 N -4.87 0.07 0.22 5.26 1.85 -0.28 -1.56 116.66 117.34 3ng4 n ARG 147 Ca 0.14 0.36 0.13 0.00 -1.00 0.00 0.00 57.85 57.48 3ng4 n ARG 147 Cb 0.36 -1.64 0.29 0.00 -1.05 0.00 0.00 32.46 30.42 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 -1.11 -3.38 116.42 118.14 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 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ng4 h ASP 148 CO 0.00 0.00 -0.05 1.33 -1.72 0.00 0.00 179.24 178.80 3ng4 n VAL 149 N -3.00 0.00 -3.99 -1.35 0.24 -0.68 -5.01 118.33 104.55 3ng4 n VAL 149 Ca 0.03 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 61.93 3ng4 n VAL 149 Cb 0.47 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.76 0.78 -0.41 7.34 -0.21 -0.60 -4.97 119.66 120.83 3ng4 s GLN 150 Ca 0.00 -1.12 -0.25 0.00 0.02 0.00 0.00 55.36 54.01 3ng4 s GLN 150 Cb 0.00 0.28 0.02 0.00 1.00 0.00 0.00 33.01 34.31 3ng4 s GLN 150 CO 0.00 -0.21 0.89 -1.25 -2.12 0.00 0.00 175.29 172.60 3ng4 s PRO 151 N -3.91 3.67 -0.08 2.91 0.04 -1.26 -4.15 135.00 132.22 3ng4 s PRO 151 Ca 0.08 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.14 3ng4 s PRO 151 Cb 0.06 -3.86 0.12 0.00 0.04 0.00 0.00 34.50 30.86 3ng4 s PRO 151 CO -0.09 -1.05 1.00 -0.08 0.04 0.00 0.00 177.00 176.82 3ng4 s THR 152 N 3.52 0.00 -0.06 1.26 -1.32 -1.26 -5.00 115.64 112.78 3ng4 s THR 152 Ca 0.36 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.96 3ng4 s THR 152 Cb -0.11 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 3ng4 s THR 152 CO 0.22 0.00 1.39 -0.07 -2.21 0.00 0.00 174.62 173.95 3ng4 h LEU 153 N 2.04 0.00 -9.27 9.08 3.38 -1.97 -3.40 115.31 115.17 3ng4 h LEU 153 Ca -0.18 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.16 3ng4 h LEU 153 Cb 1.21 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.07 3ng4 h LEU 153 CO 0.28 0.67 -0.18 -0.24 0.09 0.00 0.00 178.44 179.07 3ng4 n SER 154 N -3.28 0.11 -1.57 -0.43 2.88 -1.26 -1.08 113.62 108.99 3ng4 n SER 154 Ca 0.01 1.14 -0.06 0.00 -1.33 0.00 0.00 58.87 58.64 3ng4 n SER 154 Cb 0.80 -1.14 0.18 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.83 2.55 0.00 -1.46 -0.04 -1.26 -1.13 135.00 134.49 3ng4 n PRO 155 Ca 0.13 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 3ng4 n PRO 155 Cb 0.30 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.09 0.46 0.26 0.55 0.00 -0.24 -4.30 105.19 101.82 3ng4 n GLY 156 Ca 0.28 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.23 -0.28 1.61 3.32 -1.74 0.26 116.42 119.36 3ng4 h ASP 157 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3ng4 h ASP 157 Cb 0.00 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ng4 h ASP 157 CO 0.00 -0.12 0.05 0.03 -1.72 0.00 0.00 179.24 177.47 3ng4 h ARG 158 N 0.15 0.46 -0.29 3.56 2.47 -1.60 -0.35 114.38 118.78 3ng4 h ARG 158 Ca 0.39 -0.12 -0.15 0.00 -1.26 0.00 0.00 59.98 58.83 3ng4 h ARG 158 Cb 0.66 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3ng4 h ARG 158 CO -0.58 0.57 -0.44 1.25 0.56 0.00 0.00 179.97 181.33 3ng4 h LEU 159 N 0.28 0.78 -1.20 3.04 5.85 -1.52 -2.26 115.31 120.28 3ng4 h LEU 159 Ca 0.08 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3ng4 h LEU 159 Cb 0.33 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3ng4 h LEU 159 CO 0.01 1.11 0.55 0.22 -0.34 0.00 0.00 178.44 179.99 3ng4 h TYR 160 N 0.59 1.01 -0.13 1.25 3.20 -0.36 -0.26 116.97 122.27 3ng4 h TYR 160 Ca 0.04 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 3ng4 h TYR 160 Cb 0.99 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3ng4 h TYR 160 CO 0.05 0.59 -0.50 1.49 -1.64 0.00 0.00 178.16 178.15 3ng4 h GLU 161 N 1.05 0.35 0.02 1.82 4.81 -0.71 -2.23 114.58 119.69 3ng4 h GLU 161 Ca 0.33 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3ng4 h GLU 161 Cb 0.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ng4 h GLU 161 CO -0.10 0.77 -0.01 0.82 -0.73 0.00 0.00 179.01 179.76 3ng4 h ILE 162 N 0.28 1.35 -0.12 2.32 2.04 -0.77 -3.24 117.51 119.36 3ng4 h ILE 162 Ca 0.01 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 3ng4 h ILE 162 Cb 0.98 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3ng4 h ILE 162 CO 0.08 0.31 -0.06 0.16 0.00 0.00 0.00 178.15 178.64 3ng4 h ILE 163 N -0.57 1.12 0.00 -0.67 3.07 -0.99 -0.69 117.51 118.79 3ng4 h ILE 163 Ca -0.00 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3ng4 h ILE 163 Cb 0.53 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3ng4 h ILE 163 CO 0.01 0.16 0.06 1.56 -1.05 0.00 0.00 178.15 178.89 3ng4 h GLN 164 N 0.18 0.00 -0.00 0.16 4.20 -1.42 -0.42 115.11 117.80 3ng4 h GLN 164 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3ng4 h GLN 164 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3ng4 h GLN 164 CO 0.01 0.00 -0.33 0.25 -0.67 0.00 0.00 178.83 178.09 3ng4 n THR 165 N -2.62 0.00 -2.35 -0.54 -2.24 -0.27 -4.90 114.28 101.37 3ng4 n THR 165 Ca -0.02 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3ng4 n THR 165 Cb 0.11 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.85 3.08 0.25 4.78 0.52 -0.17 -4.91 118.94 119.64 3ng4 s TRP 166 Ca 0.16 1.57 -0.06 0.00 0.02 0.00 0.00 56.10 57.80 3ng4 s TRP 166 Cb 0.18 -3.32 0.46 0.00 -1.15 0.00 0.00 33.47 29.64 3ng4 s TRP 166 CO 0.61 -1.18 1.66 1.03 0.02 0.00 0.00 176.95 179.09 3ng4 h SER 167 N 2.49 -0.18 0.04 2.95 0.87 -1.93 -0.84 113.55 116.96 3ng4 h SER 167 Ca -0.49 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3ng4 h SER 167 Cb 1.23 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 3ng4 h SER 167 CO 0.62 -0.12 -0.02 1.41 -0.53 0.00 0.00 176.83 178.19 3ng4 n HIS 168 N -5.26 0.00 -2.24 2.24 8.25 -1.26 -4.90 115.22 112.05 3ng4 n HIS 168 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 3ng4 n HIS 168 Cb 0.48 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.06 3.22 -0.15 4.41 5.04 -0.32 -0.33 117.35 127.14 3ng4 s TYR 169 Ca 0.41 1.52 -0.03 0.00 -2.44 0.00 0.00 57.07 56.53 3ng4 s TYR 169 Cb 0.21 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 39.04 3ng4 s TYR 169 CO 0.37 -1.40 0.04 0.50 -1.34 0.00 0.00 175.55 173.71 3ng4 s ARG 170 N -1.72 0.52 0.00 4.97 6.06 -0.92 -4.79 118.95 123.07 3ng4 s ARG 170 Ca 0.48 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 3ng4 s ARG 170 Cb -0.37 -1.73 0.00 0.00 0.06 0.00 0.00 34.95 32.91 3ng4 s ARG 170 CO 0.48 -0.55 0.00 0.00 -2.50 0.00 0.00 175.30 172.73