#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn4 n HIS -10 N 0.00 -1.24 0.82 4.41 8.25 -1.26 -4.90 115.22 121.31 1nn4 n HIS -10 Ca 0.00 0.18 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1nn4 n HIS -10 Cb 0.00 -3.90 0.03 0.00 1.12 0.00 0.00 29.99 27.25 1nn4 n HIS -10 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1nn4 n SER -9 N -1.82 0.69 -4.77 0.41 3.41 -1.26 -4.97 113.62 105.32 1nn4 n SER -9 Ca -0.18 -0.49 -0.32 0.00 -0.26 0.00 0.00 58.87 57.62 1nn4 n SER -9 Cb 0.65 0.75 0.06 0.00 -0.26 0.00 0.00 64.21 65.41 1nn4 n SER -9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nn4 s SER -8 N -3.36 4.91 0.00 4.04 1.04 -1.26 -4.96 113.70 114.11 1nn4 s SER -8 Ca 0.07 1.92 0.15 0.00 0.48 0.00 0.00 55.95 58.57 1nn4 s SER -8 Cb 0.16 -2.54 -0.18 0.00 0.10 0.00 0.00 66.02 63.56 1nn4 s SER -8 CO 0.80 -1.77 0.70 0.61 0.98 0.00 0.00 173.24 174.57 1nn4 n GLY -7 N -0.82 -1.10 3.21 7.32 0.00 -1.26 -4.78 105.19 107.75 1nn4 n GLY -7 Ca 0.10 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1nn4 n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nn4 s LEU -6 N -5.86 2.53 -0.18 0.99 1.02 -1.26 -5.11 118.68 110.82 1nn4 s LEU -6 Ca -0.04 -0.56 -0.16 0.00 0.02 0.00 0.00 54.13 53.39 1nn4 s LEU -6 Cb 0.08 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1nn4 s LEU -6 CO 0.82 -0.02 0.39 -0.89 0.02 0.00 0.00 176.35 176.67 1nn4 s THR -5 N 1.37 5.22 -0.05 5.49 2.01 -1.26 -5.03 115.64 123.39 1nn4 s THR -5 Ca 0.05 0.71 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1nn4 s THR -5 Cb -0.14 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1nn4 s THR -5 CO -0.08 0.29 1.72 -2.84 -0.69 0.00 0.00 174.62 173.02 1nn4 s PRO -4 N 1.01 4.12 0.43 4.92 0.02 -1.26 -4.96 135.00 139.28 1nn4 s PRO -4 Ca 0.20 2.22 -0.23 0.00 0.02 0.00 0.00 61.00 63.20 1nn4 s PRO -4 Cb -0.14 -4.03 -0.08 0.00 0.02 0.00 0.00 34.50 30.27 1nn4 s PRO -4 CO 0.07 -0.93 1.11 0.50 -0.33 0.00 0.00 177.00 177.42 1nn4 s ARG -3 N 4.21 3.96 0.29 5.54 3.52 -1.26 -4.93 118.95 130.27 1nn4 s ARG -3 Ca 0.76 1.64 -0.28 0.00 -0.13 0.00 0.00 55.73 57.72 1nn4 s ARG -3 Cb -0.34 -2.46 -0.14 0.00 -1.56 0.00 0.00 34.95 30.44 1nn4 s ARG -3 CO 0.32 -0.35 0.93 0.41 -0.81 0.00 0.00 175.30 175.80 1nn4 n GLY -2 N 0.37 -0.49 3.70 8.12 0.00 -1.26 -4.26 105.19 111.38 1nn4 n GLY -2 Ca 0.06 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1nn4 n GLY -2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nn4 s SER -1 N -0.64 6.70 0.24 1.61 0.15 -1.26 -4.48 113.70 116.03 1nn4 s SER -1 Ca 0.60 2.40 0.13 0.00 0.70 0.00 0.00 55.95 59.77 1nn4 s SER -1 Cb -0.71 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.09 1nn4 s SER -1 CO 0.59 -0.79 1.44 -0.61 1.20 0.00 0.00 173.24 175.07 1nn4 h GLN 0 N 7.61 0.00 -5.10 5.44 -0.00 -1.67 -3.43 115.11 117.95 1nn4 h GLN 0 Ca -0.41 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.61 1nn4 h GLN 0 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 27.48 28.53 1nn4 h GLN 0 CO 0.91 0.64 -0.39 -1.64 0.00 0.00 0.00 178.83 178.35 1nn4 s MET 1 N -2.99 4.04 0.14 1.69 -1.94 -1.26 -4.96 119.30 114.02 1nn4 s MET 1 Ca 0.02 -0.13 0.22 0.00 -1.71 0.00 0.00 55.69 54.10 1nn4 s MET 1 Cb 0.09 -3.60 -0.08 0.00 2.01 0.00 0.00 34.83 33.24 1nn4 s MET 1 CO 0.76 -0.11 0.90 1.63 -0.01 0.00 0.00 175.02 178.19 1nn4 n LYS 2 N 4.81 0.60 -3.72 2.03 4.76 -1.26 -4.74 118.16 120.63 1nn4 n LYS 2 Ca -0.12 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 1nn4 n LYS 2 Cb 0.52 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.83 1nn4 n LYS 2 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1nn4 s LYS 3 N -3.40 0.15 0.09 1.97 2.20 -1.26 -0.90 119.74 118.59 1nn4 s LYS 3 Ca -0.02 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1nn4 s LYS 3 Cb 0.11 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1nn4 s LYS 3 CO 0.82 -0.19 -0.07 0.96 -0.36 0.00 0.00 175.35 176.51 1nn4 s ILE 4 N 1.45 0.73 -0.26 5.43 -0.00 -0.95 0.11 121.20 127.70 1nn4 s ILE 4 Ca -0.07 -1.77 -0.10 0.00 -0.00 0.00 0.00 60.65 58.71 1nn4 s ILE 4 Cb -0.11 -1.48 -0.04 0.00 -0.00 0.00 0.00 42.46 40.82 1nn4 s ILE 4 CO -0.07 -0.75 0.15 0.00 -0.00 0.00 0.00 174.94 174.26 1nn4 s ALA 5 N -3.10 3.42 0.09 2.27 0.00 -0.09 -1.18 121.76 123.17 1nn4 s ALA 5 Ca 0.08 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1nn4 s ALA 5 Cb 0.02 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1nn4 s ALA 5 CO -0.03 -0.48 0.29 0.12 0.00 0.00 0.00 175.76 175.66 1nn4 s PHE 6 N 1.61 3.50 -0.05 0.00 2.19 -0.64 -1.52 117.98 123.08 1nn4 s PHE 6 Ca 0.07 0.41 -0.30 0.00 0.33 0.00 0.00 56.93 57.44 1nn4 s PHE 6 Cb -0.15 -1.89 0.07 0.00 -1.31 0.00 0.00 43.02 39.73 1nn4 s PHE 6 CO 0.08 0.52 0.65 0.20 1.83 0.00 0.00 175.22 178.50 1nn4 s GLY 7 N -2.40 -0.55 0.24 13.12 0.00 -0.72 -1.42 107.32 115.59 1nn4 s GLY 7 Ca 0.37 1.23 -0.21 0.00 0.00 0.00 0.00 44.72 46.12 1nn4 s GLY 7 CO 0.25 0.89 0.66 0.00 0.00 0.00 0.00 173.10 174.90 1nn4 s ASP 9 N -2.88 3.80 0.45 0.00 2.15 -0.18 -2.68 116.67 117.33 1nn4 s ASP 9 Ca 0.09 0.12 0.27 0.00 0.43 0.00 0.00 52.55 53.46 1nn4 s ASP 9 Cb -0.04 -0.37 0.73 0.00 -0.30 0.00 0.00 42.92 42.94 1nn4 s ASP 9 CO 0.02 -2.27 1.75 1.12 -0.17 0.00 0.00 175.17 175.62 1nn4 h HIS 10 N -1.13 0.00 0.11 -5.34 2.07 -1.82 -1.25 115.15 107.79 1nn4 h HIS 10 Ca -0.42 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 56.78 1nn4 h HIS 10 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.23 1nn4 h HIS 10 CO -0.58 0.00 -1.68 0.28 -3.07 0.00 0.00 177.93 172.87 1nn4 h VAL 11 N 0.00 0.96 0.00 6.12 2.07 -1.90 -3.29 116.25 120.22 1nn4 h VAL 11 Ca 0.00 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 1nn4 h VAL 11 Cb 0.80 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1nn4 h VAL 11 CO 0.00 0.79 -0.11 1.23 0.02 0.00 0.00 177.57 179.49 1nn4 h GLY 12 N 1.76 0.00 0.34 2.17 0.00 -1.64 -2.92 103.07 102.78 1nn4 h GLY 12 Ca -0.30 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.26 1nn4 h GLY 12 CO 0.13 0.00 0.59 -2.75 0.00 0.00 0.00 176.54 174.52 1nn4 h PHE 13 N 0.00 0.10 -1.28 5.60 3.04 -1.29 -1.09 116.94 122.01 1nn4 h PHE 13 Ca -0.00 0.00 0.37 0.00 3.98 0.00 0.00 57.97 62.32 1nn4 h PHE 13 Cb 0.66 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.07 1nn4 h PHE 13 CO 0.00 0.02 0.89 0.82 -2.02 0.00 0.00 178.31 178.02 1nn4 h ILE 14 N 0.07 0.34 -0.01 1.41 2.04 -1.71 0.16 117.51 119.81 1nn4 h ILE 14 Ca 0.41 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1nn4 h ILE 14 Cb 1.50 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1nn4 h ILE 14 CO -0.04 0.02 -0.27 0.18 0.00 0.00 0.00 178.15 178.04 1nn4 n LEU 15 N -4.32 1.48 -0.06 1.44 4.77 -0.42 -4.82 117.00 115.07 1nn4 n LEU 15 Ca 0.30 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 1nn4 n LEU 15 Cb 1.29 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.32 1nn4 n LEU 15 CO 0.35 0.29 0.50 0.50 -1.33 0.00 0.00 177.39 177.70 1nn4 h LYS 16 N 1.55 -0.28 -0.35 3.23 3.64 -0.95 -1.15 116.57 122.27 1nn4 h LYS 16 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1nn4 h LYS 16 Cb 0.46 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1nn4 h LYS 16 CO 0.00 -0.18 0.18 0.45 -2.27 0.00 0.00 179.45 177.63 1nn4 h HIS 17 N -0.29 0.34 -0.38 1.91 3.86 -1.88 0.66 115.15 119.38 1nn4 h HIS 17 Ca 0.04 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1nn4 h HIS 17 Cb 0.39 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1nn4 h HIS 17 CO -0.63 0.19 -0.24 0.93 0.86 0.00 0.00 177.93 179.03 1nn4 h GLU 18 N 0.37 0.77 -0.26 2.45 3.07 -1.89 0.60 114.58 119.70 1nn4 h GLU 18 Ca 0.14 -0.32 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 1nn4 h GLU 18 Cb 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1nn4 h GLU 18 CO -0.09 0.93 -0.21 0.82 -1.40 0.00 0.00 179.01 179.06 1nn4 h ILE 19 N 0.66 1.31 -0.49 3.13 5.03 -1.01 0.04 117.51 126.17 1nn4 h ILE 19 Ca 0.09 -1.35 -0.04 0.00 -0.12 0.00 0.00 64.86 63.44 1nn4 h ILE 19 Cb 0.75 1.61 -0.02 0.00 -3.03 0.00 0.00 36.82 36.13 1nn4 h ILE 19 CO 0.06 0.42 0.13 0.58 -0.68 0.00 0.00 178.15 178.67 1nn4 h VAL 20 N 0.31 1.21 -0.54 1.67 2.07 -0.78 0.12 116.25 120.30 1nn4 h VAL 20 Ca 0.05 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1nn4 h VAL 20 Cb 0.75 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1nn4 h VAL 20 CO 0.05 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.17 1nn4 h ALA 21 N 1.43 0.70 -0.44 1.67 0.00 -0.62 -0.63 119.26 121.37 1nn4 h ALA 21 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1nn4 h ALA 21 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nn4 h ALA 21 CO -0.01 0.27 -0.06 1.25 0.00 0.00 0.00 179.25 180.71 1nn4 h HIS 22 N 0.73 0.91 -0.11 0.00 6.17 -0.35 -0.59 115.15 121.91 1nn4 h HIS 22 Ca 0.19 -0.18 0.04 0.00 0.71 0.00 0.00 60.37 61.13 1nn4 h HIS 22 Cb 0.13 -0.23 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 1nn4 h HIS 22 CO -0.00 0.90 -0.18 -0.07 0.71 0.00 0.00 177.93 179.29 1nn4 h LEU 23 N 0.65 -0.55 -1.37 0.26 3.38 -0.42 -0.85 115.31 116.42 1nn4 h LEU 23 Ca 0.12 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1nn4 h LEU 23 Cb 0.58 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1nn4 h LEU 23 CO 0.03 -0.23 0.14 0.58 0.09 0.00 0.00 178.44 179.06 1nn4 h VAL 24 N -0.23 1.16 0.00 1.22 2.07 -1.00 -0.42 116.25 119.05 1nn4 h VAL 24 Ca 0.09 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1nn4 h VAL 24 Cb 0.37 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1nn4 h VAL 24 CO -0.25 0.20 0.00 -0.08 0.02 0.00 0.00 177.57 177.46 1nn4 h GLU 25 N 0.57 0.00 -0.01 1.57 4.81 0.20 -1.03 114.58 120.68 1nn4 h GLU 25 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1nn4 h GLU 25 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1nn4 h GLU 25 CO -0.01 0.00 -0.23 0.54 -0.73 0.00 0.00 179.01 178.58 1nn4 n ARG 26 N -2.99 1.14 -0.45 1.92 5.12 -0.20 -4.95 116.66 116.26 1nn4 n ARG 26 Ca -0.00 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 1nn4 n ARG 26 Cb 0.22 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1nn4 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nn4 n GLY 27 N 1.32 0.73 3.74 -0.13 0.00 -0.39 -4.64 105.19 105.82 1nn4 n GLY 27 Ca 0.13 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1nn4 n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nn4 s VAL 28 N -2.00 4.61 -0.35 1.61 -7.23 -1.02 -4.89 120.40 111.13 1nn4 s VAL 28 Ca 0.00 -0.21 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1nn4 s VAL 28 Cb 0.00 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1nn4 s VAL 28 CO 0.00 0.55 0.84 -0.70 -0.31 0.00 0.00 175.10 175.48 1nn4 s GLU 29 N -1.11 3.86 -0.14 4.82 2.12 -0.08 -3.98 118.70 124.18 1nn4 s GLU 29 Ca 0.16 0.51 -0.20 0.00 0.36 0.00 0.00 54.97 55.80 1nn4 s GLU 29 Cb -0.12 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1nn4 s GLU 29 CO 0.05 -0.83 0.57 0.08 -0.54 0.00 0.00 175.26 174.59 1nn4 s VAL 30 N 3.19 5.10 -0.58 3.70 1.01 -1.26 -2.24 120.40 129.32 1nn4 s VAL 30 Ca 0.34 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 1nn4 s VAL 30 Cb -0.13 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.50 1nn4 s VAL 30 CO 0.16 0.23 0.49 -0.63 0.00 0.00 0.00 175.10 175.35 1nn4 s ILE 31 N 1.18 4.80 -0.14 2.22 1.01 -0.32 -4.96 121.20 124.99 1nn4 s ILE 31 Ca 0.29 -1.90 -0.29 0.00 0.00 0.00 0.00 60.65 58.74 1nn4 s ILE 31 Cb -0.16 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1nn4 s ILE 31 CO 0.12 -0.87 1.37 -0.62 0.00 0.00 0.00 174.94 174.94 1nn4 s ASP 32 N 2.76 6.85 -0.33 3.58 3.68 -1.26 -1.62 116.67 130.33 1nn4 s ASP 32 Ca 0.08 1.81 0.07 0.00 2.13 0.00 0.00 52.55 56.63 1nn4 s ASP 32 Cb -0.24 -2.54 0.46 0.00 -1.45 0.00 0.00 42.92 39.16 1nn4 s ASP 32 CO -0.01 -0.83 1.37 0.29 0.13 0.00 0.00 175.17 176.11 1nn4 n LYS 33 N 6.80 2.82 -1.08 4.34 4.76 -0.51 -4.96 118.16 130.33 1nn4 n LYS 33 Ca 0.15 -3.72 0.14 0.00 -2.87 0.00 0.00 58.31 52.01 1nn4 n LYS 33 Cb 0.44 -2.09 -0.04 0.00 -1.84 0.00 0.00 35.03 31.51 1nn4 n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nn4 n GLY 34 N -0.89 -1.99 0.00 0.72 0.00 -1.26 -4.74 105.19 97.02 1nn4 n GLY 34 Ca 0.41 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1nn4 n GLY 34 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nn4 n THR 35 N -3.57 0.00 -0.84 2.61 5.66 -1.09 -1.61 114.28 115.44 1nn4 n THR 35 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1nn4 n THR 35 Cb 0.49 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 1nn4 n THR 35 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1nn4 n TRP 36 N -1.62 0.00 -3.94 1.09 8.01 -1.26 -4.89 117.44 114.83 1nn4 n TRP 36 Ca 0.00 -0.12 -0.09 0.00 -1.31 0.00 0.00 57.50 55.97 1nn4 n TRP 36 Cb 0.00 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.31 29.23 1nn4 n TRP 36 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1nn4 s SER 37 N -0.32 -0.08 0.00 -0.99 1.04 -1.26 -5.01 113.70 107.08 1nn4 s SER 37 Ca 0.01 -0.84 0.09 0.00 0.48 0.00 0.00 55.95 55.69 1nn4 s SER 37 Cb 0.00 0.53 0.42 0.00 0.10 0.00 0.00 66.02 67.08 1nn4 s SER 37 CO 0.00 -1.04 1.29 -1.54 0.98 0.00 0.00 173.24 172.93 1nn4 n SER 38 N -0.32 0.52 -4.74 7.02 3.41 -1.26 -4.62 113.62 113.62 1nn4 n SER 38 Ca -0.05 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.33 1nn4 n SER 38 Cb 0.62 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1nn4 n SER 38 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nn4 s GLU 39 N -1.89 4.41 0.35 4.33 2.02 -1.26 -4.83 118.70 121.83 1nn4 s GLU 39 Ca 0.15 2.04 -0.25 0.00 0.02 0.00 0.00 54.97 56.93 1nn4 s GLU 39 Cb 0.07 -3.19 -0.13 0.00 0.10 0.00 0.00 34.13 30.99 1nn4 s GLU 39 CO 0.11 -0.21 0.77 -2.13 0.02 0.00 0.00 175.26 173.82 1nn4 n ARG 40 N 2.37 0.88 -3.45 1.61 0.63 -1.26 -4.61 116.66 112.83 1nn4 n ARG 40 Ca 0.05 0.31 -0.11 0.00 -0.92 0.00 0.00 57.85 57.18 1nn4 n ARG 40 Cb 0.43 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 1nn4 n ARG 40 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1nn4 s THR 41 N -1.25 0.00 -0.09 5.15 -1.32 -1.26 -5.00 115.64 111.87 1nn4 s THR 41 Ca 0.62 -0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.83 1nn4 s THR 41 Cb -0.66 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 1nn4 s THR 41 CO 0.58 0.00 0.64 1.51 -2.21 0.00 0.00 174.62 175.14 1nn4 s ASP 42 N -2.72 6.89 0.38 8.08 -4.77 -1.26 -4.62 116.67 118.64 1nn4 s ASP 42 Ca 0.02 1.07 0.14 0.00 -3.30 0.00 0.00 52.55 50.48 1nn4 s ASP 42 Cb -0.01 -2.38 0.74 0.00 -1.09 0.00 0.00 42.92 40.19 1nn4 s ASP 42 CO -0.11 -0.11 1.82 0.10 0.70 0.00 0.00 175.17 177.57 1nn4 h TYR 43 N 6.82 0.00 -0.71 2.11 -0.00 -2.00 -3.21 116.97 119.98 1nn4 h TYR 43 Ca -0.40 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.46 1nn4 h TYR 43 Cb 1.19 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.87 1nn4 h TYR 43 CO 0.65 0.37 0.48 -1.35 -0.00 0.00 0.00 178.16 178.31 1nn4 h PRO 44 N 0.00 0.42 0.36 0.10 0.11 -1.93 -2.49 132.00 128.57 1nn4 h PRO 44 Ca -0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1nn4 h PRO 44 Cb 0.69 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1nn4 h PRO 44 CO 0.05 0.28 -0.19 1.25 -0.21 0.00 0.00 178.00 179.17 1nn4 h HIS 45 N 0.44 -0.50 0.00 0.65 -0.00 -1.99 -2.16 115.15 111.58 1nn4 h HIS 45 Ca 0.34 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.67 1nn4 h HIS 45 Cb 0.73 0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.31 1nn4 h HIS 45 CO -0.00 -0.31 -0.15 1.88 -0.00 0.00 0.00 177.93 179.35 1nn4 h TYR 46 N -0.52 0.00 0.00 5.26 -1.99 -1.68 -1.53 116.97 116.52 1nn4 h TYR 46 Ca -0.04 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.55 1nn4 h TYR 46 Cb 0.41 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 1nn4 h TYR 46 CO -0.07 0.15 -0.64 0.00 -0.00 0.00 0.00 178.16 177.60 1nn4 h ALA 47 N 1.85 0.84 0.03 3.88 0.00 -1.27 -2.76 119.26 121.82 1nn4 h ALA 47 Ca -0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 1nn4 h ALA 47 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nn4 h ALA 47 CO 0.02 0.80 -1.01 1.03 0.00 0.00 0.00 179.25 180.10 1nn4 h SER 48 N 0.00 0.52 0.17 0.00 0.87 -0.66 -1.69 113.55 112.75 1nn4 h SER 48 Ca -0.01 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1nn4 h SER 48 Cb 1.21 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1nn4 h SER 48 CO 0.08 1.26 -0.08 1.56 -0.53 0.00 0.00 176.83 179.12 1nn4 h GLN 49 N 0.20 -0.22 -0.21 2.24 1.08 -1.23 -2.20 115.11 114.77 1nn4 h GLN 49 Ca -0.09 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1nn4 h GLN 49 Cb 1.66 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1nn4 h GLN 49 CO 0.17 0.02 0.07 0.28 -0.95 0.00 0.00 178.83 178.43 1nn4 h VAL 50 N -0.43 1.18 0.00 -0.54 2.07 -1.58 -2.84 116.25 114.11 1nn4 h VAL 50 Ca -0.02 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nn4 h VAL 50 Cb 0.34 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1nn4 h VAL 50 CO 0.04 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.68 1nn4 h ALA 51 N 0.90 -0.15 -0.76 1.67 0.00 -1.34 0.18 119.26 119.77 1nn4 h ALA 51 Ca 0.07 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1nn4 h ALA 51 Cb 0.21 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1nn4 h ALA 51 CO -0.00 -0.62 0.50 -0.07 0.00 0.00 0.00 179.25 179.06 1nn4 h LEU 52 N -0.22 0.71 -0.24 0.00 3.38 -1.40 0.35 115.31 117.89 1nn4 h LEU 52 Ca 0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1nn4 h LEU 52 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nn4 h LEU 52 CO -0.12 0.46 -0.63 0.00 0.09 0.00 0.00 178.44 178.23 1nn4 h ALA 53 N 1.59 0.41 0.12 1.53 0.00 -1.20 0.15 119.26 121.86 1nn4 h ALA 53 Ca 0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1nn4 h ALA 53 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nn4 h ALA 53 CO -0.11 0.68 -0.06 0.28 0.00 0.00 0.00 179.25 180.04 1nn4 h VAL 54 N 0.63 0.93 -0.17 0.00 2.07 -0.11 -2.68 116.25 116.93 1nn4 h VAL 54 Ca -0.01 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1nn4 h VAL 54 Cb 1.25 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1nn4 h VAL 54 CO 0.14 0.04 -0.39 0.00 0.02 0.00 0.00 177.57 177.37 1nn4 h ALA 55 N 0.63 1.02 0.00 1.67 0.00 -0.99 -2.87 119.26 118.72 1nn4 h ALA 55 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nn4 h ALA 55 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nn4 h ALA 55 CO 0.03 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1nn4 n GLY 56 N -0.14 -0.76 2.33 0.00 0.00 0.53 -4.86 105.19 102.28 1nn4 n GLY 56 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1nn4 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nn4 n GLY 57 N 0.31 1.19 0.97 -0.02 0.00 -1.08 -4.79 105.19 101.76 1nn4 n GLY 57 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nn4 n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nn4 n GLU 58 N -1.46 2.30 -3.56 1.61 0.28 -1.03 -4.87 120.64 113.92 1nn4 n GLU 58 Ca -0.12 -1.80 -0.14 0.00 -0.16 0.00 0.00 57.16 54.93 1nn4 n GLU 58 Cb 0.49 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 1nn4 n GLU 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nn4 s VAL 59 N -1.44 0.00 -0.28 3.84 0.11 -1.23 -5.00 120.40 116.39 1nn4 s VAL 59 Ca 0.33 0.00 0.28 0.00 -2.93 0.00 0.00 61.98 59.66 1nn4 s VAL 59 Cb 0.18 -1.00 0.33 0.00 -1.53 0.00 0.00 36.38 34.37 1nn4 s VAL 59 CO 0.21 0.00 1.80 0.44 -3.33 0.00 0.00 175.10 174.22 1nn4 h ASP 60 N 2.92 0.00 0.00 3.54 3.32 0.42 -3.43 116.42 123.20 1nn4 h ASP 60 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1nn4 h ASP 60 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1nn4 h ASP 60 CO 0.32 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1nn4 n GLY 61 N 0.50 -0.23 3.20 2.75 0.00 -1.18 -4.97 105.19 105.26 1nn4 n GLY 61 Ca 0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 1nn4 n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nn4 s GLY 62 N 0.00 0.97 -0.04 -0.02 0.00 0.07 -0.91 107.32 107.38 1nn4 s GLY 62 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1nn4 s GLY 62 CO 0.00 -1.15 -0.09 -0.42 0.00 0.00 0.00 173.10 171.45 1nn4 s ILE 63 N -1.50 0.81 -0.01 0.90 1.01 -0.58 -0.90 121.20 120.94 1nn4 s ILE 63 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1nn4 s ILE 63 Cb -0.09 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1nn4 s ILE 63 CO 0.03 0.27 -0.11 -0.76 0.00 0.00 0.00 174.94 174.37 1nn4 s LEU 64 N 0.58 1.95 -0.09 2.97 1.43 0.57 -1.76 118.68 124.34 1nn4 s LEU 64 Ca -0.10 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1nn4 s LEU 64 Cb -0.13 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1nn4 s LEU 64 CO 0.01 0.12 -0.04 -0.63 0.23 0.00 0.00 176.35 176.04 1nn4 s ILE 65 N -0.12 0.70 0.25 -0.59 1.01 -0.82 -2.23 121.20 119.39 1nn4 s ILE 65 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1nn4 s ILE 65 Cb -0.06 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1nn4 s ILE 65 CO -0.00 0.31 0.06 0.00 0.00 0.00 0.00 174.94 175.31 1nn4 h GLY 67 N 0.85 1.17 0.00 0.00 0.00 -1.86 -2.59 103.07 100.64 1nn4 h GLY 67 Ca -0.20 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1nn4 h GLY 67 CO 0.32 0.14 -1.27 -0.37 0.00 0.00 0.00 176.54 175.35 1nn4 n THR 68 N -4.54 0.27 0.00 4.70 5.66 -1.26 -1.39 114.28 117.71 1nn4 n THR 68 Ca 0.16 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1nn4 n THR 68 Cb 0.40 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1nn4 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nn4 n GLY 69 N 2.98 2.33 0.09 1.09 0.00 -1.24 -2.22 105.19 108.22 1nn4 n GLY 69 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1nn4 n GLY 69 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nn4 h VAL 70 N 0.00 1.18 -0.25 1.61 2.07 -1.93 -2.87 116.25 116.07 1nn4 h VAL 70 Ca 0.00 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1nn4 h VAL 70 Cb 0.00 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1nn4 h VAL 70 CO 0.00 0.27 -0.21 1.23 0.02 0.00 0.00 177.57 178.88 1nn4 h GLY 71 N -0.63 -0.08 1.72 2.17 0.00 -2.00 -1.78 103.07 102.46 1nn4 h GLY 71 Ca -0.01 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 1nn4 h GLY 71 CO 0.02 -0.19 -0.15 0.16 0.00 0.00 0.00 176.54 176.39 1nn4 h ILE 72 N -0.20 1.21 -0.13 2.60 3.07 -1.90 -2.30 117.51 119.85 1nn4 h ILE 72 Ca 0.14 -0.93 -0.13 0.00 1.55 0.00 0.00 64.86 65.49 1nn4 h ILE 72 Cb 0.42 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 38.17 1nn4 h ILE 72 CO -0.37 0.29 -0.48 0.77 -1.05 0.00 0.00 178.15 177.32 1nn4 h SER 73 N 0.31 0.35 -0.26 2.16 4.64 -1.19 0.13 113.55 119.70 1nn4 h SER 73 Ca 0.06 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1nn4 h SER 73 Cb 0.45 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1nn4 h SER 73 CO 0.03 0.78 -0.11 0.40 -0.87 0.00 0.00 176.83 177.06 1nn4 h ILE 74 N 0.26 1.30 -0.02 0.95 2.04 -1.08 -0.92 117.51 120.04 1nn4 h ILE 74 Ca 0.01 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1nn4 h ILE 74 Cb 0.95 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1nn4 h ILE 74 CO 0.08 0.37 -0.06 0.00 0.00 0.00 0.00 178.15 178.53 1nn4 h ALA 75 N 0.74 -0.05 -0.53 1.87 0.00 -1.24 -2.72 119.26 117.34 1nn4 h ALA 75 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nn4 h ALA 75 Cb 0.61 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1nn4 h ALA 75 CO 0.03 -0.55 0.29 0.00 0.00 0.00 0.00 179.25 179.03 1nn4 h ALA 76 N 0.91 0.68 0.00 0.00 0.00 -0.89 -2.04 119.26 117.93 1nn4 h ALA 76 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nn4 h ALA 76 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nn4 h ALA 76 CO -0.08 -0.02 0.00 -0.91 0.00 0.00 0.00 179.25 178.24 1nn4 h ASN 77 N 0.58 0.00 0.88 0.00 -0.26 -1.00 -1.67 115.58 114.11 1nn4 h ASN 77 Ca 0.22 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1nn4 h ASN 77 Cb 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1nn4 h ASN 77 CO -0.12 0.00 -0.22 0.11 -1.06 0.00 0.00 177.43 176.14 1nn4 h LYS 78 N 0.00 0.00 -6.57 0.81 1.79 -1.05 -3.44 116.57 108.11 1nn4 h LYS 78 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1nn4 h LYS 78 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1nn4 h LYS 78 CO 0.00 0.22 0.41 -0.06 -1.08 0.00 0.00 179.45 178.94 1nn4 s PHE 79 N -3.69 3.70 0.35 -1.35 0.40 -0.63 -4.99 117.98 111.78 1nn4 s PHE 79 Ca 0.00 1.69 -0.29 0.00 -0.60 0.00 0.00 56.93 57.74 1nn4 s PHE 79 Cb 0.10 -3.16 -0.11 0.00 0.51 0.00 0.00 43.02 40.37 1nn4 s PHE 79 CO 0.63 -0.17 1.53 0.00 0.70 0.00 0.00 175.22 177.91 1nn4 s ALA 80 N 0.12 3.63 0.00 5.36 0.00 -1.26 -2.13 121.76 127.48 1nn4 s ALA 80 Ca 0.49 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1nn4 s ALA 80 Cb -0.25 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1nn4 s ALA 80 CO 0.31 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1nn4 n GLY 81 N 1.00 1.38 3.76 0.00 0.00 -1.26 -4.88 105.19 105.19 1nn4 n GLY 81 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1nn4 n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nn4 s ILE 82 N -3.39 5.19 -0.32 -0.61 -1.09 -0.90 -4.86 121.20 115.21 1nn4 s ILE 82 Ca 0.00 0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1nn4 s ILE 82 Cb 0.00 -3.30 0.10 0.00 -1.58 0.00 0.00 42.46 37.68 1nn4 s ILE 82 CO 0.00 0.53 0.11 -0.13 -1.23 0.00 0.00 174.94 174.22 1nn4 s ARG 83 N -0.28 0.74 -0.15 2.79 0.52 -1.26 -4.74 118.95 116.58 1nn4 s ARG 83 Ca 0.10 -1.14 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 1nn4 s ARG 83 Cb -0.12 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1nn4 s ARG 83 CO 0.01 -1.01 0.03 0.00 0.02 0.00 0.00 175.30 174.35 1nn4 s ALA 84 N 1.51 3.29 -0.12 2.13 0.00 -1.26 -1.05 121.76 126.27 1nn4 s ALA 84 Ca 0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1nn4 s ALA 84 Cb -0.18 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1nn4 s ALA 84 CO -0.23 0.31 0.02 0.54 0.00 0.00 0.00 175.76 176.40 1nn4 s VAL 85 N -0.01 4.45 -0.08 0.00 0.11 0.62 -4.95 120.40 120.54 1nn4 s VAL 85 Ca 0.04 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1nn4 s VAL 85 Cb -0.13 -2.92 -0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1nn4 s VAL 85 CO 0.02 0.56 -0.23 0.54 -3.33 0.00 0.00 175.10 172.66 1nn4 s VAL 86 N -0.41 1.92 0.35 2.04 0.11 -1.26 -0.51 120.40 122.64 1nn4 s VAL 86 Ca 0.08 -0.95 -0.13 0.00 -2.93 0.00 0.00 61.98 58.05 1nn4 s VAL 86 Cb -0.12 -1.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1nn4 s VAL 86 CO 0.02 0.53 0.69 0.00 -3.33 0.00 0.00 175.10 173.02 1nn4 n SER 88 N -1.23 0.86 -3.78 0.00 3.41 -1.26 -4.54 113.62 107.08 1nn4 n SER 88 Ca -0.05 -1.59 -0.11 0.00 -0.26 0.00 0.00 58.87 56.86 1nn4 n SER 88 Cb 0.60 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1nn4 n SER 88 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1nn4 s GLU 89 N -0.55 0.82 0.29 4.33 4.04 -1.26 -4.99 118.70 121.39 1nn4 s GLU 89 Ca 0.02 -0.66 -0.00 0.00 0.04 0.00 0.00 54.97 54.37 1nn4 s GLU 89 Cb 0.02 0.35 0.44 0.00 0.02 0.00 0.00 34.13 34.96 1nn4 s GLU 89 CO 0.00 -0.27 1.85 -1.35 -1.84 0.00 0.00 175.26 173.66 1nn4 h PRO 90 N 3.06 0.81 0.25 -4.83 0.11 -1.89 -3.30 132.00 126.20 1nn4 h PRO 90 Ca -0.33 -0.15 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1nn4 h PRO 90 Cb 1.20 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1nn4 h PRO 90 CO 0.49 0.71 -0.42 -0.92 -0.21 0.00 0.00 178.00 177.65 1nn4 h TYR 91 N 0.79 -1.16 -0.72 0.65 3.20 -1.98 -0.72 116.97 117.04 1nn4 h TYR 91 Ca 0.18 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.20 1nn4 h TYR 91 Cb 0.24 0.47 -0.09 0.00 1.54 0.00 0.00 36.73 38.89 1nn4 h TYR 91 CO 0.01 -0.54 0.28 0.77 -1.64 0.00 0.00 178.16 177.05 1nn4 h SER 92 N -0.74 0.27 -0.39 -2.11 0.02 -1.99 0.45 113.55 109.05 1nn4 h SER 92 Ca -0.01 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1nn4 h SER 92 Cb 0.71 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1nn4 h SER 92 CO -0.16 0.11 0.14 0.00 -1.14 0.00 0.00 176.83 175.78 1nn4 h ALA 93 N 1.52 0.51 0.00 3.77 0.00 -1.57 0.84 119.26 124.32 1nn4 h ALA 93 Ca 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nn4 h ALA 93 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nn4 h ALA 93 CO -0.38 0.14 -0.00 0.37 0.00 0.00 0.00 179.25 179.38 1nn4 h GLN 94 N 0.49 -0.00 -0.41 0.00 4.15 -0.41 -2.86 115.11 116.05 1nn4 h GLN 94 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1nn4 h GLN 94 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1nn4 h GLN 94 CO -0.01 0.19 -0.05 1.25 -1.93 0.00 0.00 178.83 178.28 1nn4 h LEU 95 N -0.19 0.67 -2.18 -2.39 5.85 -0.90 -1.85 115.31 114.32 1nn4 h LEU 95 Ca -0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1nn4 h LEU 95 Cb 0.19 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1nn4 h LEU 95 CO 0.00 0.77 -0.00 0.77 -0.34 0.00 0.00 178.44 179.64 1nn4 h SER 96 N 0.65 0.00 0.11 1.25 4.64 -0.73 -0.82 113.55 118.64 1nn4 h SER 96 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1nn4 h SER 96 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1nn4 h SER 96 CO 0.02 0.00 -0.05 -0.09 -0.87 0.00 0.00 176.83 175.84 1nn4 h ARG 97 N 0.00 -0.14 -0.55 4.77 9.65 -1.20 -1.44 114.38 125.48 1nn4 h ARG 97 Ca -0.00 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.99 1nn4 h ARG 97 Cb 0.00 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.53 1nn4 h ARG 97 CO 0.00 0.01 0.08 1.96 2.80 0.00 0.00 179.97 184.82 1nn4 h GLN 98 N -1.03 0.20 0.03 0.20 4.20 -1.04 -0.46 115.11 117.21 1nn4 h GLN 98 Ca -0.01 -0.01 -0.39 0.00 0.06 0.00 0.00 58.65 58.30 1nn4 h GLN 98 Cb 0.21 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1nn4 h GLN 98 CO 0.02 0.13 -2.31 0.72 -0.67 0.00 0.00 178.83 176.72 1nn4 n HIS 99 N -5.16 0.35 1.14 2.96 8.25 -0.34 -0.68 115.22 121.74 1nn4 n HIS 99 Ca 0.07 0.09 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 1nn4 n HIS 99 Cb 0.29 -1.04 0.21 0.00 1.12 0.00 0.00 29.99 30.57 1nn4 n HIS 99 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nn4 n ASN 100 N -3.52 2.38 -4.06 0.41 3.02 -0.61 -4.80 115.26 108.08 1nn4 n ASN 100 Ca -0.43 -1.75 -0.31 0.00 -0.03 0.00 0.00 54.58 52.05 1nn4 n ASN 100 Cb 0.97 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1nn4 n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nn4 n ASP 101 N 0.77 -1.09 -4.77 6.41 2.03 -0.18 -4.88 116.55 114.84 1nn4 n ASP 101 Ca 0.15 -1.14 -0.36 0.00 0.52 0.00 0.00 54.79 53.96 1nn4 n ASP 101 Cb 0.51 -2.40 0.01 0.00 -0.72 0.00 0.00 41.12 38.52 1nn4 n ASP 101 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nn4 s THR 102 N -3.97 2.94 -0.03 5.18 -4.23 -1.10 -4.88 115.64 109.54 1nn4 s THR 102 Ca 0.14 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.30 1nn4 s THR 102 Cb -0.06 -3.25 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1nn4 s THR 102 CO 0.93 -0.11 0.93 -0.46 -0.54 0.00 0.00 174.62 175.38 1nn4 n ASN 103 N -1.29 1.35 -3.70 3.99 0.23 -0.21 -4.87 115.26 110.75 1nn4 n ASN 103 Ca 0.12 -2.07 -0.11 0.00 -0.53 0.00 0.00 54.58 51.99 1nn4 n ASN 103 Cb 0.50 -0.14 -0.12 0.00 -2.08 0.00 0.00 39.78 37.94 1nn4 n ASN 103 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1nn4 s VAL 104 N -1.12 -0.14 -0.08 3.53 1.01 -1.17 -0.75 120.40 121.68 1nn4 s VAL 104 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1nn4 s VAL 104 Cb 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1nn4 s VAL 104 CO 0.01 0.06 -0.20 -0.22 0.00 0.00 0.00 175.10 174.74 1nn4 s LEU 105 N 1.60 2.32 0.05 3.92 0.20 -0.07 -0.27 118.68 126.43 1nn4 s LEU 105 Ca -0.07 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.34 1nn4 s LEU 105 Cb -0.10 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 1nn4 s LEU 105 CO -0.11 0.23 -0.08 0.00 -0.29 0.00 0.00 176.35 176.10 1nn4 s ALA 106 N -0.05 0.67 0.26 5.97 0.00 0.33 -0.31 121.76 128.63 1nn4 s ALA 106 Ca -0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1nn4 s ALA 106 Cb -0.14 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1nn4 s ALA 106 CO 0.05 -0.01 0.60 -0.59 0.00 0.00 0.00 175.76 175.81 1nn4 s PHE 107 N -1.52 0.07 -0.18 0.00 -0.71 -0.95 -2.46 117.98 112.23 1nn4 s PHE 107 Ca -0.08 -0.48 -0.06 0.00 -1.04 0.00 0.00 56.93 55.28 1nn4 s PHE 107 Cb -0.09 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 1nn4 s PHE 107 CO 0.00 -1.12 0.01 0.20 -1.34 0.00 0.00 175.22 172.98 1nn4 s GLY 108 N -2.96 1.80 0.36 1.99 0.00 -0.94 -3.21 107.32 104.35 1nn4 s GLY 108 Ca 0.16 -0.82 0.27 0.00 0.00 0.00 0.00 44.72 44.33 1nn4 s GLY 108 CO 0.08 0.04 1.80 1.48 0.00 0.00 0.00 173.10 176.50 1nn4 h SER 109 N 6.85 0.00 0.09 1.64 4.64 -1.21 -0.39 113.55 125.18 1nn4 h SER 109 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1nn4 h SER 109 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nn4 h SER 109 CO 0.65 0.00 -0.53 0.54 -0.87 0.00 0.00 176.83 176.63 1nn4 n ARG 110 N -2.55 0.79 -0.10 4.77 5.12 -0.49 -4.45 116.66 119.75 1nn4 n ARG 110 Ca 0.02 -0.60 -0.18 0.00 -1.93 0.00 0.00 57.85 55.16 1nn4 n ARG 110 Cb 0.29 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.02 1nn4 n ARG 110 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1nn4 n VAL 111 N -0.58 1.13 -4.54 1.55 0.31 -0.86 -5.02 118.33 110.31 1nn4 n VAL 111 Ca 0.09 -0.36 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1nn4 n VAL 111 Cb 0.40 -1.49 -0.11 0.00 -0.91 0.00 0.00 33.84 31.72 1nn4 n VAL 111 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1nn4 s VAL 112 N -2.38 3.29 0.82 2.52 0.11 -0.21 -5.04 120.40 119.51 1nn4 s VAL 112 Ca -0.28 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.70 1nn4 s VAL 112 Cb 0.09 -2.42 0.09 0.00 -1.53 0.00 0.00 36.38 32.61 1nn4 s VAL 112 CO 0.40 0.36 1.16 -0.83 -3.33 0.00 0.00 175.10 172.86 1nn4 s GLY 113 N -1.45 1.59 0.17 6.54 0.00 -1.26 -4.64 107.32 108.27 1nn4 s GLY 113 Ca 0.16 -0.56 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 1nn4 s GLY 113 CO 0.07 -0.08 1.82 -2.00 0.00 0.00 0.00 173.10 172.92 1nn4 h LEU 114 N -1.11 0.56 -0.76 0.66 5.85 -1.98 -0.90 115.31 117.62 1nn4 h LEU 114 Ca -0.47 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 1nn4 h LEU 114 Cb 1.32 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1nn4 h LEU 114 CO 0.65 0.41 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.78 1nn4 h GLU 115 N 0.65 0.90 -0.30 1.25 4.39 -1.99 -1.17 114.58 118.30 1nn4 h GLU 115 Ca 0.18 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1nn4 h GLU 115 Cb -0.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1nn4 h GLU 115 CO -0.04 0.92 -0.39 1.25 -1.16 0.00 0.00 179.01 179.60 1nn4 h LEU 116 N 0.82 0.75 -1.06 1.33 6.46 -1.91 -1.85 115.31 119.85 1nn4 h LEU 116 Ca 0.15 -0.33 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 1nn4 h LEU 116 Cb 0.55 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1nn4 h LEU 116 CO 0.03 1.05 0.15 0.00 -0.62 0.00 0.00 178.44 179.05 1nn4 h ALA 117 N 0.98 1.24 -0.41 1.25 0.00 -0.87 -1.26 119.26 120.19 1nn4 h ALA 117 Ca 0.05 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1nn4 h ALA 117 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nn4 h ALA 117 CO 0.08 0.53 -0.30 0.87 0.00 0.00 0.00 179.25 180.43 1nn4 h LYS 118 N 0.80 0.90 -0.16 0.00 1.57 -0.95 -1.95 116.57 116.79 1nn4 h LYS 118 Ca 0.18 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1nn4 h LYS 118 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1nn4 h LYS 118 CO -0.00 1.08 0.07 1.98 -0.57 0.00 0.00 179.45 182.00 1nn4 h MET 119 N 0.76 0.23 -0.83 3.15 4.05 -0.95 -1.59 114.93 119.76 1nn4 h MET 119 Ca 0.08 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.54 1nn4 h MET 119 Cb 0.87 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.58 1nn4 h MET 119 CO 0.08 0.30 0.54 0.82 0.23 0.00 0.00 176.91 178.88 1nn4 h ILE 120 N 0.11 1.01 -0.01 1.77 2.04 -1.15 -0.60 117.51 120.69 1nn4 h ILE 120 Ca 0.05 -0.30 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1nn4 h ILE 120 Cb 0.15 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1nn4 h ILE 120 CO -0.01 0.16 -0.76 -0.37 0.00 0.00 0.00 178.15 177.18 1nn4 h VAL 121 N 0.86 1.51 -0.31 1.67 -1.51 -1.05 -2.24 116.25 115.19 1nn4 h VAL 121 Ca 0.37 -2.51 -0.05 0.00 -1.23 0.00 0.00 66.70 63.27 1nn4 h VAL 121 Cb 0.30 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1nn4 h VAL 121 CO -0.14 0.72 0.01 0.44 -1.23 0.00 0.00 177.57 177.37 1nn4 h ASP 122 N 0.04 0.53 -0.87 4.19 3.32 -0.27 0.95 116.42 124.30 1nn4 h ASP 122 Ca -0.01 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.77 1nn4 h ASP 122 Cb 1.33 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1nn4 h ASP 122 CO 0.10 0.70 0.57 0.00 -1.72 0.00 0.00 179.24 178.90 1nn4 h ALA 123 N 0.84 1.45 -0.02 3.45 0.00 -1.10 -1.52 119.26 122.36 1nn4 h ALA 123 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1nn4 h ALA 123 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nn4 h ALA 123 CO 0.01 0.47 -0.16 2.35 0.00 0.00 0.00 179.25 181.93 1nn4 h TRP 124 N 1.10 0.20 -0.33 0.00 7.01 -1.04 -3.02 115.95 119.87 1nn4 h TRP 124 Ca 0.35 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 1nn4 h TRP 124 Cb 0.01 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1nn4 h TRP 124 CO -0.00 0.82 0.15 -0.07 -2.79 0.00 0.00 178.44 176.55 1nn4 h LEU 125 N -0.47 0.45 -0.50 0.65 3.38 -0.72 -3.19 115.31 114.91 1nn4 h LEU 125 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nn4 h LEU 125 Cb 0.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1nn4 h LEU 125 CO 0.03 0.47 0.00 1.23 0.09 0.00 0.00 178.44 180.27 1nn4 h GLY 126 N 0.40 0.00 -1.58 0.83 0.00 -1.41 -2.18 103.07 99.12 1nn4 h GLY 126 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.95 1nn4 h GLY 126 CO -0.01 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.91 1nn4 s ALA 127 N -3.31 2.80 0.05 3.60 0.00 -1.14 -4.72 121.76 119.03 1nn4 s ALA 127 Ca 0.06 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1nn4 s ALA 127 Cb 0.09 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1nn4 s ALA 127 CO 0.56 -0.84 -0.13 -1.14 0.00 0.00 0.00 175.76 174.21 1nn4 s GLN 128 N -4.45 0.84 0.02 0.00 0.74 -1.26 -4.84 119.66 110.71 1nn4 s GLN 128 Ca 0.61 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.91 1nn4 s GLN 128 Cb -0.14 -0.83 -0.06 0.00 1.10 0.00 0.00 33.01 33.08 1nn4 s GLN 128 CO 0.43 0.20 1.35 -0.47 -0.55 0.00 0.00 175.29 176.24 1nn4 s TYR 129 N -1.01 3.03 -1.62 1.67 5.04 -1.26 -3.79 117.35 119.41 1nn4 s TYR 129 Ca -0.01 0.95 0.28 0.00 -2.44 0.00 0.00 57.07 55.85 1nn4 s TYR 129 Cb -0.09 -3.60 1.02 0.00 0.35 0.00 0.00 41.96 39.64 1nn4 s TYR 129 CO 0.01 -2.15 1.74 0.39 -1.34 0.00 0.00 175.55 174.20 1nn4 n GLU 130 N 4.96 0.68 0.00 4.97 1.02 0.15 -5.00 120.64 127.41 1nn4 n GLU 130 Ca 0.12 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1nn4 n GLU 130 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1nn4 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nn4 n GLY 131 N 1.32 3.01 7.00 0.62 0.00 -1.26 -4.83 105.19 111.05 1nn4 n GLY 131 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1nn4 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nn4 n GLY 132 N 0.00 3.34 0.25 -0.02 0.00 -1.26 -1.59 105.19 105.91 1nn4 n GLY 132 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.94 1nn4 n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nn4 h ARG 133 N 0.00 0.30 0.00 1.61 0.11 -2.02 -2.60 114.38 111.78 1nn4 h ARG 133 Ca 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1nn4 h ARG 133 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1nn4 h ARG 133 CO 0.00 0.42 0.00 0.45 0.10 0.00 0.00 179.97 180.94 1nn4 h HIS 134 N 0.29 0.00 -0.39 4.08 3.86 -1.62 -2.37 115.15 119.00 1nn4 h HIS 134 Ca 0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1nn4 h HIS 134 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1nn4 h HIS 134 CO 0.01 0.00 0.07 1.96 0.86 0.00 0.00 177.93 180.82 1nn4 h GLN 135 N 0.00 0.59 -0.69 2.45 7.50 -1.51 -2.01 115.11 121.43 1nn4 h GLN 135 Ca 0.00 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 58.99 1nn4 h GLN 135 Cb 0.11 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 1nn4 h GLN 135 CO 0.00 0.56 0.24 -0.56 -1.50 0.00 0.00 178.83 177.57 1nn4 h GLN 136 N 0.57 1.06 -0.39 1.46 3.07 -1.63 0.13 115.11 119.37 1nn4 h GLN 136 Ca 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 58.65 58.59 1nn4 h GLN 136 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 1nn4 h GLN 136 CO 0.00 0.90 0.01 0.00 0.09 0.00 0.00 178.83 179.83 1nn4 h ARG 137 N 1.00 0.69 -0.48 0.06 2.47 -1.60 -0.58 114.38 115.94 1nn4 h ARG 137 Ca 0.23 -0.22 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1nn4 h ARG 137 Cb 0.27 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1nn4 h ARG 137 CO -0.01 0.78 -0.03 0.28 0.56 0.00 0.00 179.97 181.55 1nn4 h VAL 138 N 0.52 1.25 -0.34 2.04 2.07 -1.14 -2.19 116.25 118.45 1nn4 h VAL 138 Ca 0.11 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1nn4 h VAL 138 Cb 0.46 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1nn4 h VAL 138 CO 0.02 0.37 -0.15 -0.33 0.02 0.00 0.00 177.57 177.50 1nn4 h GLU 139 N 0.76 0.62 -0.22 1.57 5.08 -0.77 -2.42 114.58 119.19 1nn4 h GLU 139 Ca 0.14 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1nn4 h GLU 139 Cb 0.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1nn4 h GLU 139 CO 0.03 0.74 0.01 0.00 -1.00 0.00 0.00 179.01 178.78 1nn4 h ALA 140 N 1.28 1.60 -0.15 3.43 0.00 -0.51 -1.62 119.26 123.29 1nn4 h ALA 140 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nn4 h ALA 140 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nn4 h ALA 140 CO 0.04 0.30 -0.15 0.82 0.00 0.00 0.00 179.25 180.25 1nn4 h ILE 141 N 0.32 1.35 -0.35 0.00 2.04 -0.93 -2.81 117.51 117.12 1nn4 h ILE 141 Ca 0.08 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 1nn4 h ILE 141 Cb 0.21 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1nn4 h ILE 141 CO 0.00 0.39 -0.11 0.71 0.00 0.00 0.00 178.15 179.15 1nn4 h THR 142 N 0.00 1.24 -0.30 -0.27 1.35 -1.31 -2.73 112.91 110.89 1nn4 h THR 142 Ca 0.02 -1.06 0.02 0.00 -0.55 0.00 0.00 66.41 64.85 1nn4 h THR 142 Cb 0.69 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1nn4 h THR 142 CO 0.04 0.35 0.14 0.00 -0.25 0.00 0.00 175.52 175.81 1nn4 h ALA 143 N 1.33 0.37 -0.09 6.62 0.00 -1.26 -2.31 119.26 123.92 1nn4 h ALA 143 Ca 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1nn4 h ALA 143 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nn4 h ALA 143 CO 0.03 -0.24 -0.39 -0.84 0.00 0.00 0.00 179.25 177.81 1nn4 h ILE 144 N 0.31 1.30 -0.34 0.00 3.07 -1.34 -2.89 117.51 117.62 1nn4 h ILE 144 Ca 0.13 -1.44 -0.12 0.00 1.55 0.00 0.00 64.86 64.98 1nn4 h ILE 144 Cb 0.05 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.25 1nn4 h ILE 144 CO -0.09 0.43 -0.25 1.05 -1.05 0.00 0.00 178.15 178.24 1nn4 h GLU 145 N 0.17 0.76 0.00 0.16 4.11 -1.18 -3.08 114.58 115.52 1nn4 h GLU 145 Ca 0.02 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1nn4 h GLU 145 Cb 0.76 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1nn4 h GLU 145 CO 0.06 0.99 0.00 -0.56 0.07 0.00 0.00 179.01 179.57 1nn4 h GLN 146 N 0.54 0.00 -0.02 1.06 -0.00 -1.39 -3.51 115.11 111.79 1nn4 h GLN 146 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1nn4 h GLN 146 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 1nn4 h GLN 146 CO 0.07 0.00 0.00 -2.13 -0.00 0.00 0.00 178.83 176.77