#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 0.13 0.08 1.62 1.47 -1.26 -5.14 116.67 113.56 3ng4 s ASP 2 Ca 0.00 -0.15 -0.25 0.00 1.18 0.00 0.00 52.55 53.33 3ng4 s ASP 2 Cb 0.00 0.02 -0.10 0.00 -0.34 0.00 0.00 42.92 42.50 3ng4 s ASP 2 CO 0.00 -0.08 1.40 1.55 0.68 0.00 0.00 175.17 178.73 3ng4 h PRO 3 N 5.71 -0.48 -2.76 2.11 0.13 -2.08 -3.38 132.00 131.25 3ng4 h PRO 3 Ca -0.27 0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 3ng4 h PRO 3 Cb 1.21 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3ng4 h PRO 3 CO 0.48 -0.32 0.60 -0.35 -0.23 0.00 0.00 178.00 178.18 3ng4 n PRO 4 N -4.66 1.12 -0.59 1.56 -0.04 -1.26 -4.71 135.00 126.42 3ng4 n PRO 4 Ca -0.05 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.64 3ng4 n PRO 4 Cb 0.29 -1.88 0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3ng4 n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ng4 n ALA 5 N 3.12 4.10 -2.92 0.55 0.00 -1.26 -4.92 120.51 119.18 3ng4 n ALA 5 Ca 0.24 -1.19 -0.11 0.00 0.00 0.00 0.00 53.44 52.38 3ng4 n ALA 5 Cb 0.36 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 3ng4 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ng4 n GLY 7 N 1.52 0.00 3.76 0.00 0.00 -1.26 -4.97 105.19 104.24 3ng4 n GLY 7 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3ng4 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 s SER 8 N 0.00 7.30 0.03 1.61 0.01 -1.26 -5.06 113.70 116.32 3ng4 s SER 8 Ca 0.00 2.05 0.03 0.00 1.31 0.00 0.00 55.95 59.34 3ng4 s SER 8 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 3ng4 s SER 8 CO 0.00 -0.11 -0.10 -0.63 0.41 0.00 0.00 173.24 172.82 3ng4 s ILE 9 N -1.35 0.73 -0.20 1.44 1.01 -1.26 -4.51 121.20 117.06 3ng4 s ILE 9 Ca 0.47 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 3ng4 s ILE 9 Cb -0.26 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3ng4 s ILE 9 CO 0.33 -0.07 1.13 -0.69 0.00 0.00 0.00 174.94 175.64 3ng4 s VAL 10 N -0.78 4.52 0.65 2.92 1.01 0.84 -4.90 120.40 124.65 3ng4 s VAL 10 Ca -0.02 1.84 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 3ng4 s VAL 10 Cb -0.07 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3ng4 s VAL 10 CO 0.00 -0.16 1.10 -2.16 0.00 0.00 0.00 175.10 173.89 3ng4 s PRO 11 N 3.30 2.89 0.11 2.72 0.04 -1.26 -1.01 135.00 141.78 3ng4 s PRO 11 Ca 0.48 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 3ng4 s PRO 11 Cb -0.18 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3ng4 s PRO 11 CO 0.10 -1.17 1.67 0.00 0.04 0.00 0.00 177.00 177.63 3ng4 h ARG 12 N 0.10 -0.34 -0.99 4.56 3.08 -1.94 -0.43 114.38 118.42 3ng4 h ARG 12 Ca -0.47 0.02 0.29 0.00 0.07 0.00 0.00 59.98 59.90 3ng4 h ARG 12 Cb 1.24 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 31.18 3ng4 h ARG 12 CO 0.55 -0.22 0.09 0.00 -1.07 0.00 0.00 179.97 179.32 3ng4 h ARG 13 N -0.35 0.01 -0.28 0.04 2.47 -1.93 0.17 114.38 114.51 3ng4 h ARG 13 Ca 0.03 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3ng4 h ARG 13 Cb 0.37 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3ng4 h ARG 13 CO -0.11 0.01 0.07 1.49 0.56 0.00 0.00 179.97 181.98 3ng4 h GLU 14 N 0.01 0.40 -0.30 0.04 4.81 -1.44 -0.85 114.58 117.24 3ng4 h GLU 14 Ca 0.63 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 3ng4 h GLU 14 Cb 1.36 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3ng4 h GLU 14 CO -0.90 0.38 0.00 -2.67 -0.73 0.00 0.00 179.01 175.09 3ng4 n TRP 15 N -4.38 0.39 -3.10 0.92 4.27 0.48 -4.97 117.44 111.05 3ng4 n TRP 15 Ca 0.01 -0.19 -0.10 0.00 -3.89 0.00 0.00 57.50 53.32 3ng4 n TRP 15 Cb 0.17 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.17 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 1.20 -1.89 -3.35 -2.67 1.74 -0.33 -4.54 116.66 106.82 3ng4 n ARG 16 Ca 0.18 0.98 -0.33 0.00 -0.77 0.00 0.00 57.85 57.91 3ng4 n ARG 16 Cb 0.54 -5.57 -0.06 0.00 -1.02 0.00 0.00 32.46 26.35 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 -3.27 3.52 0.44 7.54 0.00 -1.12 -4.90 121.76 123.97 3ng4 s ALA 17 Ca 0.32 -0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 3ng4 s ALA 17 Cb -0.04 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 3ng4 s ALA 17 CO 0.70 0.46 1.25 -0.51 0.00 0.00 0.00 175.76 177.66 3ng4 s LEU 18 N -2.66 4.09 0.23 0.00 1.43 -1.26 -4.83 118.68 115.68 3ng4 s LEU 18 Ca 0.47 2.52 -0.30 0.00 -1.03 0.00 0.00 54.13 55.79 3ng4 s LEU 18 Cb -0.12 -4.08 -0.15 0.00 0.03 0.00 0.00 46.19 41.87 3ng4 s LEU 18 CO 0.20 -0.96 1.11 0.00 0.23 0.00 0.00 176.35 176.92 3ng4 n ALA 19 N -0.25 -0.41 -1.78 4.21 0.00 -1.26 -4.93 120.51 116.09 3ng4 n ALA 19 Ca 0.06 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 3ng4 n ALA 19 Cb 0.46 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.24 6.64 0.00 0.00 0.15 -1.26 -4.91 113.70 114.09 3ng4 s SER 20 Ca 0.66 2.16 0.13 0.00 0.70 0.00 0.00 55.95 59.60 3ng4 s SER 20 Cb -0.77 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 61.16 3ng4 s SER 20 CO 0.55 -0.58 1.09 -0.62 1.20 0.00 0.00 173.24 174.89 3ng4 n GLU 21 N -0.03 1.75 -2.63 5.44 1.02 0.99 -5.03 120.64 122.15 3ng4 n GLU 21 Ca 0.05 -1.68 -0.38 0.00 -0.02 0.00 0.00 57.16 55.13 3ng4 n GLU 21 Cb 0.48 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.73 1.44 -2.26 0.00 1.74 -1.26 -5.06 116.66 111.99 3ng4 n ARG 23 Ca 0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3ng4 n ARG 23 Cb 0.48 -0.12 -0.03 0.00 -1.02 0.00 0.00 32.46 31.77 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 -0.16 4.36 0.26 5.56 2.02 -1.26 -4.95 118.70 124.53 3ng4 s GLU 24 Ca 0.00 1.96 0.06 0.00 0.02 0.00 0.00 54.97 57.01 3ng4 s GLU 24 Cb 0.00 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 3ng4 s GLU 24 CO 0.00 -0.37 0.31 1.03 0.02 0.00 0.00 175.26 176.25 3ng4 s ARG 25 N 1.08 3.19 0.42 1.61 0.52 -1.26 -0.06 118.95 124.45 3ng4 s ARG 25 Ca 0.62 -0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3ng4 s ARG 25 Cb -0.34 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 3ng4 s ARG 25 CO 0.30 0.36 0.65 -0.51 0.02 0.00 0.00 175.30 176.12 3ng4 s LEU 26 N -3.95 3.76 -0.32 2.53 1.43 0.40 -4.50 118.68 118.02 3ng4 s LEU 26 Ca 0.35 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.78 3ng4 s LEU 26 Cb -0.08 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3ng4 s LEU 26 CO 0.28 -0.56 0.16 -0.89 0.23 0.00 0.00 176.35 175.56 3ng4 s THR 27 N -2.51 4.53 0.30 5.49 2.01 -1.26 -4.88 115.64 119.31 3ng4 s THR 27 Ca 0.45 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 3ng4 s THR 27 Cb -0.10 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 3ng4 s THR 27 CO 0.38 0.01 0.75 0.00 -0.69 0.00 0.00 174.62 175.07 3ng4 s ARG 28 N 1.59 4.11 0.23 4.92 1.70 -1.26 -3.57 118.95 126.67 3ng4 s ARG 28 Ca 0.04 0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 55.77 3ng4 s ARG 28 Cb -0.17 -2.57 -0.09 0.00 -0.57 0.00 0.00 34.95 31.55 3ng4 s ARG 28 CO 0.06 0.23 0.98 -1.25 -1.08 0.00 0.00 175.30 174.23 3ng4 s PRO 29 N -2.65 4.79 0.19 3.89 0.04 -1.25 -5.08 135.00 134.93 3ng4 s PRO 29 Ca 0.51 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 3ng4 s PRO 29 Cb -0.12 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 3ng4 s PRO 29 CO 0.18 0.41 0.77 0.08 0.04 0.00 0.00 177.00 178.49 3ng4 s VAL 30 N -0.99 4.42 -0.07 -0.36 1.01 0.19 -4.55 120.40 120.05 3ng4 s VAL 30 Ca 0.43 1.58 0.14 0.00 0.00 0.00 0.00 61.98 64.13 3ng4 s VAL 30 Cb -0.27 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 31.87 3ng4 s VAL 30 CO 0.33 0.41 0.71 -1.14 0.00 0.00 0.00 175.10 175.42 3ng4 n ARG 31 N 1.28 0.63 -4.36 2.72 0.63 -1.26 -0.54 116.66 115.76 3ng4 n ARG 31 Ca -0.04 0.27 -0.26 0.00 -0.92 0.00 0.00 57.85 56.90 3ng4 n ARG 31 Cb 0.49 -1.80 -0.12 0.00 0.45 0.00 0.00 32.46 31.48 3ng4 n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3ng4 s TYR 32 N -2.71 2.10 -0.07 -0.14 2.02 -1.20 -0.08 117.35 117.27 3ng4 s TYR 32 Ca -0.04 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 3ng4 s TYR 32 Cb 0.08 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 3ng4 s TYR 32 CO 0.82 0.33 -0.15 0.08 -1.57 0.00 0.00 175.55 175.06 3ng4 s VAL 33 N -1.34 1.35 -0.16 0.71 1.01 0.32 -0.78 120.40 121.50 3ng4 s VAL 33 Ca 0.13 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3ng4 s VAL 33 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3ng4 s VAL 33 CO 0.06 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 3ng4 s VAL 34 N 0.49 3.26 -0.26 2.92 1.01 -0.39 -0.49 120.40 126.95 3ng4 s VAL 34 Ca -0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3ng4 s VAL 34 Cb -0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3ng4 s VAL 34 CO 0.04 0.49 0.17 -0.69 0.00 0.00 0.00 175.10 175.12 3ng4 s VAL 35 N 0.72 5.33 0.44 2.92 1.01 -0.41 -2.01 120.40 128.40 3ng4 s VAL 35 Ca -0.04 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3ng4 s VAL 35 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3ng4 s VAL 35 CO 0.02 0.31 0.07 -0.94 0.00 0.00 0.00 175.10 174.56 3ng4 s SER 36 N 1.35 3.31 0.16 3.32 1.04 -0.51 -0.82 113.70 121.56 3ng4 s SER 36 Ca 0.07 -1.64 0.09 0.00 0.48 0.00 0.00 55.95 54.95 3ng4 s SER 36 Cb -0.15 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 3ng4 s SER 36 CO 0.07 -0.87 -0.19 -1.38 0.98 0.00 0.00 173.24 171.86 3ng4 s HIS 37 N -3.07 1.86 -0.32 5.02 -3.43 -1.26 -1.21 115.29 112.88 3ng4 s HIS 37 Ca 0.18 -0.46 0.27 0.00 -0.80 0.00 0.00 55.06 54.26 3ng4 s HIS 37 Cb 0.03 -0.93 0.83 0.00 -1.43 0.00 0.00 32.58 31.07 3ng4 s HIS 37 CO 0.10 0.34 1.77 1.79 -2.00 0.00 0.00 174.74 176.74 3ng4 h THR 38 N 3.29 0.00 0.00 -5.38 1.35 -1.14 -3.46 112.91 107.57 3ng4 h THR 38 Ca -0.43 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3ng4 h THR 38 Cb 1.20 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3ng4 h THR 38 CO 0.50 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 3ng4 n ALA 39 N -2.01 0.00 -1.97 6.62 0.00 0.11 -4.91 120.51 118.36 3ng4 n ALA 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ng4 n ALA 39 Cb 0.40 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.72 1.88 3.81 0.00 0.00 -1.22 -4.64 105.19 103.30 3ng4 n GLY 40 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.00 6.35 0.50 1.61 1.04 -1.26 -3.05 113.70 117.89 3ng4 s SER 41 Ca 0.00 1.76 0.06 0.00 0.48 0.00 0.00 55.95 58.25 3ng4 s SER 41 Cb 0.00 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.62 3ng4 s SER 41 CO 0.00 -0.77 0.69 -1.38 0.98 0.00 0.00 173.24 172.75 3ng4 s HIS 42 N -2.32 2.50 -0.00 5.02 -0.00 -1.26 -3.36 115.29 115.87 3ng4 s HIS 42 Ca 0.63 -0.35 -0.03 0.00 -0.00 0.00 0.00 55.06 55.31 3ng4 s HIS 42 Cb -0.13 -2.49 -0.00 0.00 -0.00 0.00 0.00 32.58 29.95 3ng4 s HIS 42 CO 0.27 -0.75 0.06 0.00 -0.00 0.00 0.00 174.74 174.32 3ng4 n ASP 44 N 2.13 0.88 -4.01 0.00 5.75 -1.26 -2.08 116.55 117.96 3ng4 n ASP 44 Ca -0.19 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 52.64 3ng4 n ASP 44 Cb 0.57 -0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.75 0.14 0.57 2.12 -4.23 -1.26 -4.46 115.64 107.77 3ng4 s THR 45 Ca 0.06 -1.15 0.27 0.00 -1.18 0.00 0.00 61.69 59.70 3ng4 s THR 45 Cb 0.05 -0.60 0.36 0.00 1.34 0.00 0.00 72.50 73.65 3ng4 s THR 45 CO 0.01 -0.63 2.06 -0.65 -0.54 0.00 0.00 174.62 174.86 3ng4 h PRO 46 N 4.23 0.00 0.03 3.99 0.11 -1.95 -1.18 132.00 137.22 3ng4 h PRO 46 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ng4 h PRO 46 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ng4 h PRO 46 CO 0.48 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.25 3ng4 h ALA 47 N 1.73 -0.03 -0.76 -0.75 0.00 -2.01 -2.78 119.26 114.67 3ng4 h ALA 47 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ng4 h ALA 47 Cb 0.64 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3ng4 h ALA 47 CO -0.00 -0.26 0.28 0.66 0.00 0.00 0.00 179.25 179.93 3ng4 h SER 48 N -0.55 1.06 0.22 0.00 4.64 -1.71 -3.25 113.55 113.96 3ng4 h SER 48 Ca -0.00 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 60.99 3ng4 h SER 48 Cb 0.52 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3ng4 h SER 48 CO 0.01 0.95 -0.58 0.00 -0.87 0.00 0.00 176.83 176.34 3ng4 h ALA 50 N 1.10 0.87 -0.54 0.00 0.00 -1.52 -2.14 119.26 117.03 3ng4 h ALA 50 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3ng4 h ALA 50 Cb 1.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3ng4 h ALA 50 CO 0.10 0.66 0.27 0.37 0.00 0.00 0.00 179.25 180.65 3ng4 h GLN 51 N 0.94 0.77 -0.64 0.00 5.75 -1.52 -2.63 115.11 117.78 3ng4 h GLN 51 Ca 0.17 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3ng4 h GLN 51 Cb 0.56 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 3ng4 h GLN 51 CO 0.03 0.62 0.37 0.37 -2.65 0.00 0.00 178.83 177.58 3ng4 h GLN 52 N 0.73 0.70 -0.33 1.69 5.75 -1.24 -0.84 115.11 121.58 3ng4 h GLN 52 Ca 0.19 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 3ng4 h GLN 52 Cb 0.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3ng4 h GLN 52 CO -0.03 0.46 -0.16 0.00 -2.65 0.00 0.00 178.83 176.45 3ng4 h ALA 53 N 1.31 1.11 -0.32 3.38 0.00 -1.24 0.31 119.26 123.80 3ng4 h ALA 53 Ca 0.27 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3ng4 h ALA 53 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ng4 h ALA 53 CO -0.14 0.55 -0.16 0.37 0.00 0.00 0.00 179.25 179.87 3ng4 h GLN 54 N 0.53 0.57 -0.07 0.00 4.15 -1.06 -0.83 115.11 118.40 3ng4 h GLN 54 Ca 0.09 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3ng4 h GLN 54 Cb 0.59 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 3ng4 h GLN 54 CO 0.04 0.71 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.68 3ng4 h ASN 55 N 0.51 0.17 -0.46 -0.69 2.35 0.08 -0.83 115.58 116.71 3ng4 h ASN 55 Ca 0.09 -0.47 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3ng4 h ASN 55 Cb 0.58 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 3ng4 h ASN 55 CO 0.04 0.60 0.29 0.58 -1.65 0.00 0.00 177.43 177.29 3ng4 h VAL 56 N -0.26 1.09 -0.84 2.81 2.07 -0.30 -1.77 116.25 119.04 3ng4 h VAL 56 Ca 0.01 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ng4 h VAL 56 Cb 0.55 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3ng4 h VAL 56 CO 0.02 0.11 0.45 -0.61 0.02 0.00 0.00 177.57 177.56 3ng4 h GLN 57 N 0.59 1.18 -0.42 1.57 4.15 -1.11 -2.46 115.11 118.60 3ng4 h GLN 57 Ca 0.17 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3ng4 h GLN 57 Cb -0.03 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 3ng4 h GLN 57 CO -0.06 0.87 0.27 1.03 -1.93 0.00 0.00 178.83 179.02 3ng4 h SER 58 N 1.18 0.47 -0.24 -0.69 0.87 -0.70 0.14 113.55 114.57 3ng4 h SER 58 Ca 0.30 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3ng4 h SER 58 Cb 0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3ng4 h SER 58 CO -0.05 0.34 0.16 0.22 -0.53 0.00 0.00 176.83 176.98 3ng4 h TYR 59 N 0.56 0.31 -0.19 2.24 3.20 -1.05 0.40 116.97 122.44 3ng4 h TYR 59 Ca 0.16 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3ng4 h TYR 59 Cb -0.06 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3ng4 h TYR 59 CO -0.05 0.19 -0.36 0.45 -1.64 0.00 0.00 178.16 176.75 3ng4 h HIS 60 N 0.33 0.73 0.00 -3.82 3.86 -1.08 -1.68 115.15 113.49 3ng4 h HIS 60 Ca 0.09 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3ng4 h HIS 60 Cb -0.04 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 3ng4 h HIS 60 CO -0.06 1.00 -0.01 0.28 0.86 0.00 0.00 177.93 180.00 3ng4 h VAL 61 N 0.25 1.58 0.48 2.45 2.07 -0.70 -1.15 116.25 121.22 3ng4 h VAL 61 Ca 0.01 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.32 3ng4 h VAL 61 Cb 0.96 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 3ng4 h VAL 61 CO 0.08 0.53 -0.23 0.03 0.02 0.00 0.00 177.57 178.01 3ng4 h ARG 62 N -1.00 -0.62 0.00 1.57 2.47 -0.33 -2.56 114.38 113.92 3ng4 h ARG 62 Ca -0.00 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3ng4 h ARG 62 Cb 0.88 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3ng4 h ARG 62 CO -0.00 -0.32 -0.00 -0.91 0.56 0.00 0.00 179.97 179.29 3ng4 h ASN 63 N -1.04 -0.00 0.66 7.04 -0.26 -1.36 -3.35 115.58 117.28 3ng4 h ASN 63 Ca -0.07 -0.87 0.00 0.00 -0.56 0.00 0.00 56.30 54.81 3ng4 h ASN 63 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 3ng4 h ASN 63 CO 0.11 0.91 -0.25 0.18 -1.06 0.00 0.00 177.43 177.32 3ng4 n LEU 64 N -4.65 0.32 -1.64 1.61 4.77 -0.69 -4.94 117.00 111.78 3ng4 n LEU 64 Ca -0.09 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 3ng4 n LEU 64 Cb 0.42 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ng4 n LEU 64 CO 0.31 0.07 -0.19 0.61 -1.33 0.00 0.00 177.39 176.86 3ng4 n GLY 65 N 1.47 0.42 3.81 -0.72 0.00 -0.87 -4.95 105.19 104.35 3ng4 n GLY 65 Ca 0.07 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.74 3.09 0.07 1.61 0.52 -0.49 -4.97 118.94 116.03 3ng4 s TRP 66 Ca 0.00 1.52 0.33 0.00 0.02 0.00 0.00 56.10 57.97 3ng4 s TRP 66 Cb 0.00 -2.98 1.51 0.00 -1.15 0.00 0.00 33.47 30.85 3ng4 s TRP 66 CO 0.00 -0.87 1.98 0.00 0.02 0.00 0.00 176.95 178.08 3ng4 s ASP 68 N -5.05 -0.08 0.32 0.00 2.15 -1.26 -0.01 116.67 112.74 3ng4 s ASP 68 Ca -0.00 -0.28 -0.27 0.00 0.43 0.00 0.00 52.55 52.42 3ng4 s ASP 68 Cb 0.10 0.30 -0.13 0.00 -0.30 0.00 0.00 42.92 42.88 3ng4 s ASP 68 CO 0.44 -0.56 1.00 0.55 -0.17 0.00 0.00 175.17 176.43 3ng4 n VAL 69 N -0.55 2.05 0.24 1.11 3.14 -1.26 -4.60 118.33 118.45 3ng4 n VAL 69 Ca -0.06 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.95 3ng4 n VAL 69 Cb 0.61 -1.02 0.44 0.00 -1.06 0.00 0.00 33.84 32.82 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 1.88 0.00 -2.98 7.55 0.00 -1.92 -3.41 103.07 104.19 3ng4 h GLY 70 Ca -0.40 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.42 3ng4 h GLY 70 CO 0.60 0.00 0.06 -0.19 0.00 0.00 0.00 176.54 177.00 3ng4 s TYR 71 N -3.49 3.39 0.10 5.60 2.02 -1.26 -0.24 117.35 123.47 3ng4 s TYR 71 Ca 0.03 1.13 -0.14 0.00 -0.37 0.00 0.00 57.07 57.72 3ng4 s TYR 71 Cb 0.08 -2.47 -0.12 0.00 -0.40 0.00 0.00 41.96 39.05 3ng4 s TYR 71 CO 0.62 0.11 1.35 -0.91 -1.57 0.00 0.00 175.55 175.14 3ng4 h ASN 72 N 2.19 0.87 -5.08 2.29 2.35 -1.15 -1.16 115.58 115.89 3ng4 h ASN 72 Ca -0.48 -0.57 -0.12 0.00 -0.55 0.00 0.00 56.30 54.59 3ng4 h ASN 72 Cb 1.17 -0.25 -0.17 0.00 0.05 0.00 0.00 38.32 39.12 3ng4 h ASN 72 CO 0.66 1.28 -0.46 -0.36 -1.65 0.00 0.00 177.43 176.91 3ng4 s PHE 73 N -3.98 0.13 0.06 1.19 0.08 -1.03 -0.42 117.98 114.01 3ng4 s PHE 73 Ca -0.11 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.62 3ng4 s PHE 73 Cb 0.09 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 3ng4 s PHE 73 CO 0.87 -0.40 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.88 3ng4 s LEU 74 N -2.12 2.20 -0.13 -0.37 1.02 -0.53 -1.76 118.68 116.99 3ng4 s LEU 74 Ca -0.05 -0.56 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 3ng4 s LEU 74 Cb -0.01 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 3ng4 s LEU 74 CO -0.04 0.13 -0.09 -0.63 0.02 0.00 0.00 176.35 175.74 3ng4 s ILE 75 N -0.90 3.43 0.08 -0.59 -1.09 0.97 -0.61 121.20 122.48 3ng4 s ILE 75 Ca 0.07 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 57.96 3ng4 s ILE 75 Cb -0.09 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3ng4 s ILE 75 CO 0.02 0.52 0.23 -0.83 -1.23 0.00 0.00 174.94 173.66 3ng4 s GLY 76 N 0.21 2.15 0.00 6.18 0.00 0.09 -1.14 107.32 114.80 3ng4 s GLY 76 Ca -0.05 -0.83 0.23 0.00 0.00 0.00 0.00 44.72 44.07 3ng4 s GLY 76 CO 0.04 -0.80 1.76 1.18 0.00 0.00 0.00 173.10 175.27 3ng4 n GLU 77 N 0.19 0.76 0.00 2.90 1.02 -0.89 -1.43 120.64 123.20 3ng4 n GLU 77 Ca -0.05 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.18 3ng4 n GLU 77 Cb 0.51 -1.47 0.45 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.97 0.00 0.00 1.62 5.75 -1.20 -4.64 116.55 117.10 3ng4 n ASP 78 Ca 0.17 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 3ng4 n ASP 78 Cb 0.08 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.32 0.55 3.64 6.12 0.00 -0.51 -4.79 105.19 110.52 3ng4 n GLY 79 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.23 -0.13 0.99 1.43 -1.25 -4.67 118.68 118.28 3ng4 s LEU 80 Ca 0.00 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3ng4 s LEU 80 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3ng4 s LEU 80 CO 0.00 0.07 0.03 -0.69 0.23 0.00 0.00 176.35 176.00 3ng4 s VAL 81 N -1.84 4.55 -0.19 -1.59 1.01 -1.26 -0.73 120.40 120.35 3ng4 s VAL 81 Ca 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3ng4 s VAL 81 Cb -0.09 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3ng4 s VAL 81 CO 0.18 0.54 0.02 -0.31 0.00 0.00 0.00 175.10 175.53 3ng4 s TYR 82 N -0.26 3.12 0.05 5.22 2.02 0.21 -0.12 117.35 127.59 3ng4 s TYR 82 Ca 0.07 -0.21 -0.31 0.00 -0.37 0.00 0.00 57.07 56.26 3ng4 s TYR 82 Cb -0.12 -2.06 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3ng4 s TYR 82 CO 0.02 -0.05 1.33 -2.00 -1.57 0.00 0.00 175.55 173.28 3ng4 s GLU 83 N 0.66 4.33 0.00 -0.62 2.12 -0.18 -1.45 118.70 123.56 3ng4 s GLU 83 Ca 0.01 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.27 3ng4 s GLU 83 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3ng4 s GLU 83 CO 0.02 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 3ng4 n GLY 84 N 3.48 1.08 0.00 -1.50 0.00 0.44 -4.55 105.19 104.13 3ng4 n GLY 84 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3ng4 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ng4 n ARG 85 N 0.00 0.08 0.00 1.61 1.74 -0.44 -4.91 116.66 114.74 3ng4 n ARG 85 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3ng4 n ARG 85 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3ng4 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ng4 n GLY 86 N 0.58 -1.76 0.25 -0.13 0.00 -0.37 -3.75 105.19 100.01 3ng4 n GLY 86 Ca 0.06 -1.35 0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.36 115.95 116.32 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 0.07 -1.02 0.09 -3.56 0.00 0.00 178.44 174.03 3ng4 n ASN 88 N -3.19 1.45 -4.50 -3.49 5.03 -1.26 -4.83 115.26 104.48 3ng4 n ASN 88 Ca 0.01 -0.38 -0.33 0.00 0.87 0.00 0.00 54.58 54.74 3ng4 n ASN 88 Cb 0.37 1.26 -0.12 0.00 -1.02 0.00 0.00 39.78 40.26 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 -2.41 3.51 0.20 2.41 -1.09 -1.25 -0.45 121.20 122.12 3ng4 s ILE 89 Ca 0.00 -0.53 -0.32 0.00 -2.23 0.00 0.00 60.65 57.58 3ng4 s ILE 89 Cb 0.08 -2.46 -0.11 0.00 -1.58 0.00 0.00 42.46 38.38 3ng4 s ILE 89 CO 0.46 0.55 1.67 -0.75 -1.23 0.00 0.00 174.94 175.65 3ng4 s LYS 90 N -0.23 4.15 0.77 2.79 2.20 0.92 -4.69 119.74 125.65 3ng4 s LYS 90 Ca 0.02 2.53 -0.06 0.00 -0.36 0.00 0.00 55.97 58.11 3ng4 s LYS 90 Cb -0.13 -3.10 0.12 0.00 -1.51 0.00 0.00 37.83 33.22 3ng4 s LYS 90 CO 0.03 -0.70 1.07 0.20 -0.36 0.00 0.00 175.35 175.59 3ng4 s GLY 91 N 1.13 1.75 -0.48 5.54 0.00 -1.26 -4.90 107.32 109.10 3ng4 s GLY 91 Ca 0.73 -1.35 0.06 0.00 0.00 0.00 0.00 44.72 44.15 3ng4 s GLY 91 CO 0.32 -0.79 0.48 0.00 0.00 0.00 0.00 173.10 173.11 3ng4 n ALA 92 N -3.07 2.96 -0.04 3.20 0.00 0.67 -4.78 120.51 119.44 3ng4 n ALA 92 Ca 0.13 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.93 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 1.95 0.00 -2.28 0.00 1.44 -1.25 -4.43 115.22 110.64 3ng4 n HIS 93 Ca 0.25 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.98 3ng4 n HIS 93 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.29 2.46 0.00 1.59 0.00 -1.26 -5.05 120.51 117.96 3ng4 n ALA 94 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3ng4 n ALA 94 Cb 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.28 -1.54 0.28 0.00 0.00 -1.26 -4.10 105.19 98.85 3ng4 n GLY 95 Ca -0.01 -1.56 0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 0.07 1.61 0.13 -2.00 -0.47 132.00 131.35 3ng4 h PRO 96 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 3ng4 h PRO 96 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3ng4 h PRO 96 CO 0.00 0.07 -0.51 1.15 -0.23 0.00 0.00 178.00 178.49 3ng4 h THR 97 N 0.00 1.59 0.02 1.56 2.02 -1.99 -3.40 112.91 112.71 3ng4 h THR 97 Ca -0.00 -2.38 -0.28 0.00 0.77 0.00 0.00 66.41 64.53 3ng4 h THR 97 Cb 0.39 3.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 3ng4 h THR 97 CO 0.01 0.66 -1.51 -0.50 0.37 0.00 0.00 175.52 174.54 3ng4 h TRP 98 N -0.54 0.09 -0.37 3.16 4.06 -1.66 -3.39 115.95 117.29 3ng4 h TRP 98 Ca -0.08 -0.06 0.08 0.00 2.06 0.00 0.00 58.89 60.88 3ng4 h TRP 98 Cb 1.36 -0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.44 3ng4 h TRP 98 CO 0.21 1.09 -0.18 -0.91 -3.56 0.00 0.00 178.44 175.10 3ng4 h ASN 99 N 0.01 -0.60 0.34 -3.49 2.35 -1.29 -2.29 115.58 110.61 3ng4 h ASN 99 Ca -0.21 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3ng4 h ASN 99 Cb 1.95 0.33 0.00 0.00 0.05 0.00 0.00 38.32 40.65 3ng4 h ASN 99 CO 0.10 -0.21 0.00 -0.81 -1.65 0.00 0.00 177.43 174.86 3ng4 n PRO 100 N -5.36 0.20 -0.08 0.81 -0.04 -1.26 -3.36 135.00 125.92 3ng4 n PRO 100 Ca 0.02 0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 3ng4 n PRO 100 Cb 0.27 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.31 0.74 -4.09 0.52 -5.35 -0.90 -4.60 119.36 104.36 3ng4 n ILE 101 Ca 0.07 -0.81 -0.10 0.00 -0.27 0.00 0.00 62.75 61.64 3ng4 n ILE 101 Cb 0.14 0.51 -0.08 0.00 -1.74 0.00 0.00 39.64 38.47 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 -1.05 0.04 -0.22 7.28 1.04 -0.96 -3.27 113.70 116.56 3ng4 s SER 102 Ca 0.06 -1.14 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 3ng4 s SER 102 Cb 0.05 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 3ng4 s SER 102 CO 0.01 -0.98 -0.01 -0.63 0.98 0.00 0.00 173.24 172.60 3ng4 s ILE 103 N -4.08 3.68 -0.36 -1.02 -1.09 0.04 -4.75 121.20 113.62 3ng4 s ILE 103 Ca 0.30 -0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 58.17 3ng4 s ILE 103 Cb 0.03 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3ng4 s ILE 103 CO 0.10 0.41 0.34 -0.83 -1.23 0.00 0.00 174.94 173.73 3ng4 s GLY 104 N 1.36 1.92 -0.13 6.18 0.00 -1.26 -1.26 107.32 114.12 3ng4 s GLY 104 Ca 0.04 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 3ng4 s GLY 104 CO -0.00 0.97 -0.06 -0.26 0.00 0.00 0.00 173.10 173.75 3ng4 s ILE 105 N 1.94 3.73 -0.10 0.90 -4.36 -0.85 -0.61 121.20 121.86 3ng4 s ILE 105 Ca 0.10 -0.43 0.03 0.00 -0.26 0.00 0.00 60.65 60.09 3ng4 s ILE 105 Cb -0.17 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.95 3ng4 s ILE 105 CO 0.12 0.52 -0.19 -0.55 0.24 0.00 0.00 174.94 175.08 3ng4 s SER 106 N 0.07 2.67 -0.02 4.36 0.15 -0.72 -1.42 113.70 118.79 3ng4 s SER 106 Ca -0.01 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 55.87 3ng4 s SER 106 Cb -0.14 -1.22 -0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3ng4 s SER 106 CO 0.03 0.10 0.95 -0.36 1.20 0.00 0.00 173.24 175.15 3ng4 s PHE 107 N 0.59 3.63 -0.72 3.44 0.08 -0.35 -0.02 117.98 124.63 3ng4 s PHE 107 Ca -0.14 1.63 -0.26 0.00 0.12 0.00 0.00 56.93 58.28 3ng4 s PHE 107 Cb -0.17 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.24 3ng4 s PHE 107 CO 0.05 -0.02 1.19 -1.64 -0.10 0.00 0.00 175.22 174.69 3ng4 s MET 108 N 1.09 3.17 0.00 0.44 -1.94 -0.30 -1.51 119.30 120.25 3ng4 s MET 108 Ca 0.50 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 3ng4 s MET 108 Cb -0.20 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.43 3ng4 s MET 108 CO 0.26 -2.05 0.00 0.41 -0.01 0.00 0.00 175.02 173.63 3ng4 n GLY 109 N 5.38 -0.71 2.80 -0.03 0.00 -1.21 -4.11 105.19 107.31 3ng4 n GLY 109 Ca 0.01 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.00 2.90 -0.39 1.61 3.84 -1.17 0.05 114.94 117.78 3ng4 s ASN 110 Ca 0.00 -0.77 0.06 0.00 0.21 0.00 0.00 52.86 52.36 3ng4 s ASN 110 Cb 0.00 -0.72 0.53 0.00 -0.55 0.00 0.00 41.25 40.50 3ng4 s ASN 110 CO 0.00 -0.26 1.62 -1.22 -2.79 0.00 0.00 177.10 174.45 3ng4 n TYR 111 N 4.97 2.12 -0.16 0.43 4.01 -1.26 -4.51 117.16 122.76 3ng4 n TYR 111 Ca -0.10 -2.00 -0.11 0.00 -0.16 0.00 0.00 57.90 55.54 3ng4 n TYR 111 Cb 0.47 -0.74 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.34 0.86 0.00 -0.72 2.86 -1.85 -1.52 114.93 115.90 3ng4 h MET 112 Ca 0.40 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ng4 h MET 112 Cb 1.76 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.36 3ng4 h MET 112 CO 0.81 0.95 0.00 0.27 1.06 0.00 0.00 176.91 180.00 3ng4 n ASN 113 N -4.28 0.75 -4.28 1.22 0.23 -1.26 -3.37 115.26 104.27 3ng4 n ASN 113 Ca -0.00 -1.18 -0.31 0.00 -0.53 0.00 0.00 54.58 52.55 3ng4 n ASN 113 Cb 0.37 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.90 3ng4 n ASN 113 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3ng4 s ARG 114 N -0.18 2.48 0.17 -3.83 3.52 -1.26 -4.99 118.95 114.86 3ng4 s ARG 114 Ca 0.00 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 54.62 3ng4 s ARG 114 Cb 0.00 -2.15 -0.06 0.00 -1.56 0.00 0.00 34.95 31.17 3ng4 s ARG 114 CO 0.00 0.42 0.46 0.14 -0.81 0.00 0.00 175.30 175.51 3ng4 s VAL 115 N -0.25 5.04 0.61 7.11 -7.23 -1.26 -4.40 120.40 120.02 3ng4 s VAL 115 Ca -0.01 0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 60.30 3ng4 s VAL 115 Cb -0.13 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 3ng4 s VAL 115 CO 0.03 0.03 1.12 -2.84 -0.31 0.00 0.00 175.10 173.13 3ng4 s PRO 116 N -2.61 3.02 0.79 4.82 0.02 -1.26 -4.99 135.00 134.78 3ng4 s PRO 116 Ca 0.43 1.50 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 3ng4 s PRO 116 Cb -0.12 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.50 3ng4 s PRO 116 CO 0.22 -1.10 1.10 -1.25 -0.33 0.00 0.00 177.00 175.65 3ng4 s PRO 117 N -3.74 2.07 0.54 5.54 0.04 -1.26 -4.77 135.00 133.41 3ng4 s PRO 117 Ca 0.70 1.26 0.24 0.00 0.04 0.00 0.00 61.00 63.25 3ng4 s PRO 117 Cb -0.22 -1.87 1.41 0.00 0.04 0.00 0.00 34.50 33.86 3ng4 s PRO 117 CO 0.35 -1.80 2.03 -1.35 0.04 0.00 0.00 177.00 176.28 3ng4 h PRO 118 N -1.16 0.00 0.00 0.56 0.11 -1.99 0.51 132.00 130.03 3ng4 h PRO 118 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ng4 h PRO 118 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ng4 h PRO 118 CO 0.50 0.00 0.00 0.07 -0.21 0.00 0.00 178.00 178.36 3ng4 h ARG 119 N 0.00 0.00 0.17 1.05 0.11 -1.93 0.47 114.38 114.25 3ng4 h ARG 119 Ca 0.19 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.00 3ng4 h ARG 119 Cb 0.80 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.90 3ng4 h ARG 119 CO -0.00 0.00 -1.27 0.00 0.10 0.00 0.00 179.97 178.79 3ng4 h ALA 120 N 2.03 -0.00 -0.82 0.08 0.00 -1.15 -2.35 119.26 117.05 3ng4 h ALA 120 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 3ng4 h ALA 120 Cb 0.51 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3ng4 h ALA 120 CO 0.00 0.67 0.37 -0.07 0.00 0.00 0.00 179.25 180.21 3ng4 h LEU 121 N -0.16 1.10 -0.51 0.00 3.38 -1.06 -1.08 115.31 116.98 3ng4 h LEU 121 Ca -0.24 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 3ng4 h LEU 121 Cb 1.87 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3ng4 h LEU 121 CO 0.16 0.94 -0.12 0.03 0.09 0.00 0.00 178.44 179.55 3ng4 h ARG 122 N 1.18 0.98 0.04 1.13 3.08 -1.00 -0.62 114.38 119.17 3ng4 h ARG 122 Ca 0.28 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3ng4 h ARG 122 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3ng4 h ARG 122 CO -0.03 1.04 -0.08 0.00 -1.07 0.00 0.00 179.97 179.83 3ng4 h ALA 123 N 0.90 -0.12 -0.63 0.04 0.00 -1.02 0.67 119.26 119.10 3ng4 h ALA 123 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ng4 h ALA 123 Cb 0.68 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ng4 h ALA 123 CO 0.05 -0.59 0.26 0.00 0.00 0.00 0.00 179.25 178.97 3ng4 h ALA 124 N 0.78 0.81 -0.35 0.00 0.00 -1.01 -1.75 119.26 117.74 3ng4 h ALA 124 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ng4 h ALA 124 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ng4 h ALA 124 CO -0.06 0.42 -0.23 1.96 0.00 0.00 0.00 179.25 181.35 3ng4 h GLN 125 N 0.87 0.68 -0.63 0.00 4.20 -0.77 -2.12 115.11 117.34 3ng4 h GLN 125 Ca 0.21 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3ng4 h GLN 125 Cb 0.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3ng4 h GLN 125 CO -0.02 0.85 0.05 -0.97 -0.67 0.00 0.00 178.83 178.07 3ng4 h ASN 126 N 0.60 1.05 -0.44 1.46 -1.24 -0.82 -1.57 115.58 114.62 3ng4 h ASN 126 Ca 0.08 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 56.80 3ng4 h ASN 126 Cb 0.71 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 3ng4 h ASN 126 CO 0.05 1.08 0.22 0.25 -1.29 0.00 0.00 177.43 177.74 3ng4 h LEU 127 N 1.00 0.57 -0.59 0.34 5.85 -1.03 0.10 115.31 121.56 3ng4 h LEU 127 Ca 0.19 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3ng4 h LEU 127 Cb 0.51 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3ng4 h LEU 127 CO 0.02 0.53 0.12 -0.07 -0.34 0.00 0.00 178.44 178.71 3ng4 h LEU 128 N 0.57 0.91 -1.04 2.25 3.38 -1.27 0.62 115.31 120.73 3ng4 h LEU 128 Ca 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ng4 h LEU 128 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3ng4 h LEU 128 CO -0.02 0.92 0.40 0.00 0.09 0.00 0.00 178.44 179.83 3ng4 h ALA 129 N 1.02 1.26 -0.83 1.53 0.00 -0.91 -1.38 119.26 119.96 3ng4 h ALA 129 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ng4 h ALA 129 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ng4 h ALA 129 CO 0.01 0.59 0.37 0.00 0.00 0.00 0.00 179.25 180.21 3ng4 h GLY 131 N 1.20 1.15 0.84 0.00 0.00 0.12 0.16 103.07 106.53 3ng4 h GLY 131 Ca 0.28 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3ng4 h GLY 131 CO -0.03 0.67 0.02 -2.08 0.00 0.00 0.00 176.54 175.12 3ng4 h VAL 132 N 1.01 1.24 -0.95 4.60 2.07 -1.02 0.73 116.25 123.92 3ng4 h VAL 132 Ca 0.21 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.00 3ng4 h VAL 132 Cb 0.39 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3ng4 h VAL 132 CO 0.01 0.26 0.61 0.00 0.02 0.00 0.00 177.57 178.46 3ng4 h ALA 133 N 0.82 1.56 0.00 1.67 0.00 -0.60 -1.34 119.26 121.38 3ng4 h ALA 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ng4 h ALA 133 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ng4 h ALA 133 CO 0.01 0.24 -0.04 1.28 0.00 0.00 0.00 179.25 180.74 3ng4 n LEU 134 N -4.55 0.05 0.00 0.00 4.77 0.00 -4.89 117.00 112.37 3ng4 n LEU 134 Ca 0.17 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 3ng4 n LEU 134 Cb 0.30 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3ng4 n LEU 134 CO 0.30 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3ng4 n GLY 135 N 1.50 0.53 0.12 -0.72 0.00 -0.50 -4.90 105.19 101.22 3ng4 n GLY 135 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.70 -3.60 4.61 0.00 -1.12 -3.33 119.26 116.52 3ng4 h ALA 136 Ca 0.00 -0.68 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 3ng4 h ALA 136 Cb 0.10 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3ng4 h ALA 136 CO 0.00 0.91 -0.80 -0.51 0.00 0.00 0.00 179.25 178.85 3ng4 s LEU 137 N -7.41 2.69 0.48 0.00 1.43 -0.73 -0.63 118.68 114.52 3ng4 s LEU 137 Ca -0.02 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 3ng4 s LEU 137 Cb 0.11 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 3ng4 s LEU 137 CO 0.80 0.16 1.11 -0.13 0.23 0.00 0.00 176.35 178.52 3ng4 s ARG 138 N -2.27 3.69 0.57 1.70 0.52 0.30 -4.34 118.95 119.12 3ng4 s ARG 138 Ca 0.19 1.58 0.26 0.00 -0.52 0.00 0.00 55.73 57.24 3ng4 s ARG 138 Cb -0.10 -2.22 1.59 0.00 0.52 0.00 0.00 34.95 34.74 3ng4 s ARG 138 CO 0.11 -0.56 2.15 0.66 0.02 0.00 0.00 175.30 177.68 3ng4 h SER 139 N 1.71 0.00 -0.80 0.23 4.64 -1.91 -1.18 113.55 116.24 3ng4 h SER 139 Ca -0.49 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.29 3ng4 h SER 139 Cb 1.24 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 3ng4 h SER 139 CO 0.59 0.00 0.08 -0.46 -0.87 0.00 0.00 176.83 176.17 3ng4 n ASN 140 N -4.06 5.55 -4.63 4.97 6.94 -1.26 -5.03 115.26 117.75 3ng4 n ASN 140 Ca -0.00 -3.77 -0.34 0.00 -0.02 0.00 0.00 54.58 50.45 3ng4 n ASN 140 Cb 0.22 -0.68 0.12 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.89 0.65 -5.19 -2.53 0.18 -0.45 -5.02 117.16 103.90 3ng4 n TYR 141 Ca 0.51 0.38 -0.32 0.00 1.88 0.00 0.00 57.90 60.35 3ng4 n TYR 141 Cb 0.90 -2.04 -0.16 0.00 -0.38 0.00 0.00 39.34 37.66 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 -3.85 2.49 -0.15 -3.48 2.02 0.89 -4.75 118.70 111.87 3ng4 s GLU 142 Ca 0.70 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 3ng4 s GLU 142 Cb -0.29 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 3ng4 s GLU 142 CO 0.54 0.45 0.16 0.08 0.02 0.00 0.00 175.26 176.51 3ng4 s VAL 143 N -0.32 5.43 0.07 2.63 1.01 0.15 -0.53 120.40 128.84 3ng4 s VAL 143 Ca 0.01 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3ng4 s VAL 143 Cb -0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3ng4 s VAL 143 CO 0.02 0.52 -0.18 -0.54 0.00 0.00 0.00 175.10 174.92 3ng4 s LYS 144 N -0.28 1.04 0.50 2.72 -0.14 0.36 -2.18 119.74 121.74 3ng4 s LYS 144 Ca 0.12 -0.99 -0.19 0.00 -1.36 0.00 0.00 55.97 53.56 3ng4 s LYS 144 Cb -0.12 -1.15 -0.08 0.00 -1.68 0.00 0.00 37.83 34.79 3ng4 s LYS 144 CO 0.02 0.27 1.00 0.20 -0.76 0.00 0.00 175.35 176.08 3ng4 s GLY 145 N -1.59 2.30 0.25 -3.33 0.00 -1.26 -1.29 107.32 102.39 3ng4 s GLY 145 Ca 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 44.72 45.11 3ng4 s GLY 145 CO 0.03 0.70 1.88 0.84 0.00 0.00 0.00 173.10 176.55 3ng4 h HIS 146 N 1.31 1.09 0.00 1.90 2.76 -1.08 -0.78 115.15 120.35 3ng4 h HIS 146 Ca -0.48 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 3ng4 h HIS 146 Cb 1.20 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.80 3ng4 h HIS 146 CO 0.60 0.60 0.00 2.89 -1.30 0.00 0.00 177.93 180.72 3ng4 n ARG 147 N -4.54 0.17 0.24 5.26 1.85 -0.35 -1.55 116.66 117.74 3ng4 n ARG 147 Ca 0.13 0.48 0.13 0.00 -1.00 0.00 0.00 57.85 57.59 3ng4 n ARG 147 Cb 0.13 -1.88 0.33 0.00 -1.05 0.00 0.00 32.46 29.99 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 -1.43 -3.36 116.42 117.83 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 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ng4 h ASP 148 CO 0.00 0.01 -0.34 1.33 -1.72 0.00 0.00 179.24 178.53 3ng4 n VAL 149 N -3.10 0.00 -4.10 -1.35 0.24 -0.79 -5.01 118.33 104.22 3ng4 n VAL 149 Ca 0.03 -0.23 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 3ng4 n VAL 149 Cb 0.46 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.14 0.63 -0.58 7.34 -1.52 -0.60 -4.99 119.66 118.81 3ng4 s GLN 150 Ca 0.00 -1.17 -0.25 0.00 -1.95 0.00 0.00 55.36 51.98 3ng4 s GLN 150 Cb 0.00 0.09 0.04 0.00 -0.22 0.00 0.00 33.01 32.92 3ng4 s GLN 150 CO 0.00 -0.08 1.04 -1.25 -0.25 0.00 0.00 175.29 174.75 3ng4 s PRO 151 N -3.59 3.36 -0.03 2.91 0.04 -1.26 -4.17 135.00 132.27 3ng4 s PRO 151 Ca 0.05 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.66 3ng4 s PRO 151 Cb 0.05 -4.06 0.11 0.00 0.04 0.00 0.00 34.50 30.64 3ng4 s PRO 151 CO -0.08 -1.60 0.91 -0.08 0.04 0.00 0.00 177.00 176.19 3ng4 s THR 152 N 4.36 0.00 -0.55 1.26 -1.32 -1.26 -5.00 115.64 113.13 3ng4 s THR 152 Ca 0.34 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.06 3ng4 s THR 152 Cb -0.11 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.08 3ng4 s THR 152 CO 0.20 0.00 1.51 -0.07 -2.21 0.00 0.00 174.62 174.05 3ng4 h LEU 153 N 2.06 0.00 -9.40 9.08 3.38 -1.97 -3.40 115.31 115.07 3ng4 h LEU 153 Ca -0.21 -0.05 -0.63 0.00 0.09 0.00 0.00 57.88 57.08 3ng4 h LEU 153 Cb 1.23 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.07 3ng4 h LEU 153 CO 0.31 0.02 0.20 -0.24 0.09 0.00 0.00 178.44 178.82 3ng4 n SER 154 N -2.55 1.33 -1.80 -0.43 2.88 -1.26 -0.12 113.62 111.67 3ng4 n SER 154 Ca 0.04 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.72 3ng4 n SER 154 Cb 0.48 -1.25 0.29 0.00 -0.75 0.00 0.00 64.21 62.98 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 1.27 3.69 0.00 -1.46 -0.04 -1.26 -1.21 135.00 135.99 3ng4 n PRO 155 Ca 0.12 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 3ng4 n PRO 155 Cb 0.28 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.12 2.09 0.23 0.55 0.00 0.83 -4.31 105.19 104.70 3ng4 n GLY 156 Ca 0.32 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 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 0.38 -0.34 1.61 3.32 -1.60 0.10 116.42 119.89 3ng4 h ASP 157 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ng4 h ASP 157 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ng4 h ASP 157 CO 0.00 0.25 0.13 0.03 -1.72 0.00 0.00 179.24 177.93 3ng4 h ARG 158 N 0.52 0.51 -0.34 3.56 2.47 -1.29 -1.84 114.38 117.98 3ng4 h ARG 158 Ca 0.27 -0.09 -0.14 0.00 -1.26 0.00 0.00 59.98 58.75 3ng4 h ARG 158 Cb 0.21 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3ng4 h ARG 158 CO -0.20 0.51 -0.37 1.25 0.56 0.00 0.00 179.97 181.72 3ng4 h LEU 159 N 0.40 0.83 -0.68 3.04 5.85 -1.53 -3.12 115.31 120.11 3ng4 h LEU 159 Ca 0.11 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3ng4 h LEU 159 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3ng4 h LEU 159 CO -0.01 1.11 0.41 0.22 -0.34 0.00 0.00 178.44 179.83 3ng4 h TYR 160 N 0.65 0.89 -0.86 1.25 3.20 -0.56 -1.43 116.97 120.11 3ng4 h TYR 160 Ca 0.06 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3ng4 h TYR 160 Cb 0.92 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 3ng4 h TYR 160 CO 0.05 0.60 0.56 1.49 -1.64 0.00 0.00 178.16 179.22 3ng4 h GLU 161 N 0.92 0.97 -0.10 1.82 4.81 -1.34 -2.37 114.58 119.29 3ng4 h GLU 161 Ca 0.24 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3ng4 h GLU 161 Cb -0.04 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 3ng4 h GLU 161 CO -0.05 0.64 -0.07 0.82 -0.73 0.00 0.00 179.01 179.63 3ng4 h ILE 162 N 1.00 1.34 0.00 2.32 2.04 -1.34 -3.15 117.51 119.72 3ng4 h ILE 162 Ca 0.36 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3ng4 h ILE 162 Cb 0.14 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3ng4 h ILE 162 CO -0.12 0.32 -0.06 0.16 0.00 0.00 0.00 178.15 178.45 3ng4 h ILE 163 N -0.16 0.33 0.00 -0.67 3.07 -1.04 -1.47 117.51 117.57 3ng4 h ILE 163 Ca 0.02 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.06 3ng4 h ILE 163 Cb 0.55 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 3ng4 h ILE 163 CO 0.02 0.06 0.00 1.56 -1.05 0.00 0.00 178.15 178.74 3ng4 h GLN 164 N 0.00 0.00 -0.00 0.16 4.20 -1.38 -1.63 115.11 116.45 3ng4 h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ng4 h GLN 164 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3ng4 h GLN 164 CO 0.01 0.00 -0.58 0.25 -0.67 0.00 0.00 178.83 177.84 3ng4 n THR 165 N -2.92 0.00 -1.94 -0.54 -2.24 -0.55 -4.88 114.28 101.20 3ng4 n THR 165 Ca -0.00 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 3ng4 n THR 165 Cb 0.22 0.46 0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.93 2.36 0.25 4.78 0.52 -0.61 -4.91 118.94 118.40 3ng4 s TRP 166 Ca 0.12 1.48 -0.04 0.00 0.02 0.00 0.00 56.10 57.68 3ng4 s TRP 166 Cb 0.17 -3.59 0.42 0.00 -1.15 0.00 0.00 33.47 29.32 3ng4 s TRP 166 CO 0.71 -2.44 1.81 1.03 0.02 0.00 0.00 176.95 178.08 3ng4 h SER 167 N 1.10 0.67 -0.16 2.95 0.87 -1.92 -2.00 113.55 115.06 3ng4 h SER 167 Ca -0.51 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3ng4 h SER 167 Cb 1.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3ng4 h SER 167 CO 0.56 0.37 0.00 1.41 -0.53 0.00 0.00 176.83 178.64 3ng4 n HIS 168 N -4.75 0.19 -2.15 2.24 8.25 -1.26 -4.95 115.22 112.78 3ng4 n HIS 168 Ca 0.14 -0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3ng4 n HIS 168 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.81 3.14 -0.23 4.41 5.04 -0.75 -0.68 117.35 126.46 3ng4 s TYR 169 Ca 0.34 1.34 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 3ng4 s TYR 169 Cb 0.19 -3.65 0.12 0.00 0.35 0.00 0.00 41.96 38.97 3ng4 s TYR 169 CO 0.29 -1.86 0.44 0.50 -1.34 0.00 0.00 175.55 173.57 3ng4 s ARG 170 N -1.19 0.38 0.00 4.97 3.52 -0.93 -4.83 118.95 120.87 3ng4 s ARG 170 Ca 0.52 0.88 0.21 0.00 -0.13 0.00 0.00 55.73 57.20 3ng4 s ARG 170 Cb -0.39 0.10 1.23 0.00 -1.56 0.00 0.00 34.95 34.33 3ng4 s ARG 170 CO 0.47 -0.43 1.61 0.00 -0.81 0.00 0.00 175.30 176.14