#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 0.07 1.61 4.41 -0.00 -1.26 -4.87 115.22 115.18 1nn4 n HIS -10 Ca 0.00 -0.72 0.14 0.00 -0.00 0.00 0.00 57.72 57.15 1nn4 n HIS -10 Cb 0.00 -0.17 0.63 0.00 -0.00 0.00 0.00 29.99 30.45 1nn4 n HIS -10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1nn4 n SER -9 N 0.22 1.04 -4.78 0.41 3.41 -1.26 -4.92 113.62 107.74 1nn4 n SER -9 Ca 0.08 -1.29 -0.34 0.00 -0.26 0.00 0.00 58.87 57.07 1nn4 n SER -9 Cb 1.07 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 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 -2.05 5.59 0.06 4.04 1.04 -1.26 -4.93 113.70 116.18 1nn4 s SER -8 Ca 0.39 1.98 0.19 0.00 0.48 0.00 0.00 55.95 59.00 1nn4 s SER -8 Cb 0.21 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 1nn4 s SER -8 CO 0.36 -1.30 0.77 0.61 0.98 0.00 0.00 173.24 174.66 1nn4 n GLY -7 N -0.45 -1.22 3.12 7.32 0.00 -1.26 -4.79 105.19 107.91 1nn4 n GLY -7 Ca 0.10 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.50 2.13 -0.25 0.99 1.02 -1.26 -5.11 118.68 110.71 1nn4 s LEU -6 Ca -0.04 -0.65 -0.15 0.00 0.02 0.00 0.00 54.13 53.31 1nn4 s LEU -6 Cb 0.09 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1nn4 s LEU -6 CO 0.82 0.00 0.39 -0.89 0.02 0.00 0.00 176.35 176.70 1nn4 s THR -5 N 1.28 5.17 -0.13 5.49 2.01 -1.26 -5.05 115.64 123.14 1nn4 s THR -5 Ca 0.05 0.64 -0.29 0.00 0.31 0.00 0.00 61.69 62.39 1nn4 s THR -5 Cb -0.13 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1nn4 s THR -5 CO -0.13 0.18 1.22 -2.84 -0.69 0.00 0.00 174.62 172.36 1nn4 s PRO -4 N 1.89 4.27 0.62 4.92 0.02 -1.26 -5.00 135.00 140.46 1nn4 s PRO -4 Ca 0.17 1.64 -0.17 0.00 0.02 0.00 0.00 61.00 62.66 1nn4 s PRO -4 Cb -0.15 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 1nn4 s PRO -4 CO 0.09 -0.62 1.15 1.03 -0.33 0.00 0.00 177.00 178.32 1nn4 s ARG -3 N 3.06 2.91 0.65 5.54 0.52 -1.26 -4.95 118.95 125.41 1nn4 s ARG -3 Ca 0.54 1.60 -0.17 0.00 -0.52 0.00 0.00 55.73 57.17 1nn4 s ARG -3 Cb -0.22 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 1nn4 s ARG -3 CO 0.16 -1.20 0.88 0.41 0.02 0.00 0.00 175.30 175.57 1nn4 n GLY -2 N 0.02 -0.59 3.74 -3.53 0.00 -1.26 -4.30 105.19 99.28 1nn4 n GLY -2 Ca 0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.38 6.37 -0.43 1.61 0.15 -1.26 -4.28 113.70 114.49 1nn4 s SER -1 Ca 0.74 2.94 0.05 0.00 0.70 0.00 0.00 55.95 60.38 1nn4 s SER -1 Cb -0.39 -2.63 0.62 0.00 -1.71 0.00 0.00 66.02 61.91 1nn4 s SER -1 CO 0.49 -0.93 1.82 1.67 1.20 0.00 0.00 173.24 177.49 1nn4 n GLN 0 N 2.53 2.20 -3.67 5.44 0.00 -0.56 -4.80 117.38 118.51 1nn4 n GLN 0 Ca 0.10 -3.08 -0.10 0.00 -0.00 0.00 0.00 57.00 53.92 1nn4 n GLN 0 Cb 0.37 -2.11 -0.11 0.00 0.00 0.00 0.00 30.24 28.39 1nn4 n GLN 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1nn4 s MET 1 N -3.32 0.28 0.01 3.69 -1.94 -1.26 -5.02 119.30 111.74 1nn4 s MET 1 Ca 0.55 0.91 0.02 0.00 -1.71 0.00 0.00 55.69 55.46 1nn4 s MET 1 Cb 0.47 0.17 -0.25 0.00 2.01 0.00 0.00 34.83 37.23 1nn4 s MET 1 CO 0.08 -0.25 0.89 0.87 -0.01 0.00 0.00 175.02 176.60 1nn4 h LYS 2 N 8.04 0.14 -3.27 2.03 1.57 -1.89 -3.44 116.57 119.74 1nn4 h LYS 2 Ca -0.19 -0.24 -0.23 0.00 -1.87 0.00 0.00 60.65 58.12 1nn4 h LYS 2 Cb 1.12 0.09 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 1nn4 h LYS 2 CO 0.15 0.95 -0.58 -1.59 -0.57 0.00 0.00 179.45 177.82 1nn4 s LYS 3 N -2.63 0.12 0.09 3.15 -2.85 -1.26 0.32 119.74 116.67 1nn4 s LYS 3 Ca -0.06 0.34 0.07 0.00 -1.00 0.00 0.00 55.97 55.32 1nn4 s LYS 3 Cb 0.08 -0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.70 1nn4 s LYS 3 CO 0.84 -0.13 -0.18 0.96 0.10 0.00 0.00 175.35 176.93 1nn4 s ILE 4 N 0.93 1.47 -0.13 3.79 -0.00 -0.81 0.79 121.20 127.24 1nn4 s ILE 4 Ca -0.07 -1.45 -0.19 0.00 -0.00 0.00 0.00 60.65 58.94 1nn4 s ILE 4 Cb -0.09 -1.36 -0.04 0.00 -0.00 0.00 0.00 42.46 40.97 1nn4 s ILE 4 CO -0.05 -0.13 0.53 0.00 -0.00 0.00 0.00 174.94 175.29 1nn4 s ALA 5 N -1.22 3.47 -0.12 2.27 0.00 -0.56 -1.52 121.76 124.09 1nn4 s ALA 5 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1nn4 s ALA 5 Cb -0.10 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1nn4 s ALA 5 CO 0.03 -0.13 -0.01 0.12 0.00 0.00 0.00 175.76 175.77 1nn4 s PHE 6 N 0.91 3.10 -0.03 0.00 2.19 -0.97 -1.43 117.98 121.75 1nn4 s PHE 6 Ca 0.27 0.00 -0.02 0.00 0.33 0.00 0.00 56.93 57.51 1nn4 s PHE 6 Cb -0.16 -1.86 0.01 0.00 -1.31 0.00 0.00 43.02 39.70 1nn4 s PHE 6 CO 0.11 0.26 0.08 0.20 1.83 0.00 0.00 175.22 177.70 1nn4 s GLY 7 N -0.34 -0.04 0.11 13.12 0.00 -0.01 -1.09 107.32 119.06 1nn4 s GLY 7 Ca 0.06 0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.98 1nn4 s GLY 7 CO 0.02 0.32 0.20 0.00 0.00 0.00 0.00 173.10 173.64 1nn4 n ASP 9 N -0.09 0.57 0.18 0.00 2.03 -0.76 -1.06 116.55 117.42 1nn4 n ASP 9 Ca -0.13 -1.58 0.06 0.00 0.52 0.00 0.00 54.79 53.66 1nn4 n ASP 9 Cb 0.63 -0.51 0.22 0.00 -0.72 0.00 0.00 41.12 40.73 1nn4 n ASP 9 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1nn4 h HIS 10 N -0.90 0.00 0.13 -0.67 2.07 -1.82 1.00 115.15 114.96 1nn4 h HIS 10 Ca -0.24 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 56.94 1nn4 h HIS 10 Cb 0.79 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.76 1nn4 h HIS 10 CO 0.00 0.37 -1.77 -0.39 -3.07 0.00 0.00 177.93 173.07 1nn4 h VAL 11 N 0.00 0.88 0.00 6.12 -1.51 -1.90 -3.30 116.25 116.54 1nn4 h VAL 11 Ca -0.00 -2.54 -0.03 0.00 -1.23 0.00 0.00 66.70 62.89 1nn4 h VAL 11 Cb 1.09 2.65 -0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1nn4 h VAL 11 CO 0.05 0.83 -0.16 1.23 -1.23 0.00 0.00 177.57 178.29 1nn4 h GLY 12 N 1.32 0.00 0.80 5.19 0.00 -1.69 -2.74 103.07 105.95 1nn4 h GLY 12 Ca -0.34 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.11 1nn4 h GLY 12 CO 0.14 0.00 0.48 -2.75 0.00 0.00 0.00 176.54 174.41 1nn4 h PHE 13 N 0.00 0.00 -0.86 5.60 3.04 -0.87 -2.50 116.94 121.35 1nn4 h PHE 13 Ca -0.00 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.12 1nn4 h PHE 13 Cb 0.33 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.77 1nn4 h PHE 13 CO 0.00 0.00 0.57 0.82 -2.02 0.00 0.00 178.31 177.68 1nn4 h ILE 14 N 0.00 0.75 -0.00 1.41 2.04 -1.69 -2.53 117.51 117.49 1nn4 h ILE 14 Ca 0.20 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1nn4 h ILE 14 Cb 1.16 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1nn4 h ILE 14 CO -0.00 0.09 -0.73 0.18 0.00 0.00 0.00 178.15 177.68 1nn4 n LEU 15 N -4.52 1.02 -0.18 1.44 4.77 -0.94 -4.76 117.00 113.83 1nn4 n LEU 15 Ca 0.17 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 1nn4 n LEU 15 Cb 0.59 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1nn4 n LEU 15 CO 0.31 0.23 0.57 0.50 -1.33 0.00 0.00 177.39 177.67 1nn4 h LYS 16 N 0.41 -0.26 -0.13 3.23 3.64 -1.51 0.24 116.57 122.19 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 0.45 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1nn4 h LYS 16 CO 0.00 -0.17 -0.00 0.45 -2.27 0.00 0.00 179.45 177.46 1nn4 h HIS 17 N -0.27 -0.01 -0.43 1.91 3.86 -1.86 0.13 115.15 118.48 1nn4 h HIS 17 Ca 0.16 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1nn4 h HIS 17 Cb 0.57 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1nn4 h HIS 17 CO -0.68 -0.02 -0.07 0.93 0.86 0.00 0.00 177.93 178.95 1nn4 h GLU 18 N 0.04 0.81 -0.24 2.45 5.08 -1.86 -0.95 114.58 119.91 1nn4 h GLU 18 Ca 0.06 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1nn4 h GLU 18 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nn4 h GLU 18 CO -0.10 0.91 0.06 0.82 -1.00 0.00 0.00 179.01 179.70 1nn4 h ILE 19 N 0.64 1.21 -0.51 3.13 5.03 -0.82 -0.20 117.51 125.99 1nn4 h ILE 19 Ca 0.11 -0.68 -0.01 0.00 -0.12 0.00 0.00 64.86 64.16 1nn4 h ILE 19 Cb 0.59 1.20 -0.03 0.00 -3.03 0.00 0.00 36.82 35.56 1nn4 h ILE 19 CO 0.04 0.22 0.28 0.58 -0.68 0.00 0.00 178.15 178.58 1nn4 h VAL 20 N 0.21 1.16 -0.57 1.67 2.07 -0.68 -0.33 116.25 119.79 1nn4 h VAL 20 Ca 0.08 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1nn4 h VAL 20 Cb 0.28 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1nn4 h VAL 20 CO 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.75 1nn4 h ALA 21 N 1.60 0.77 -0.46 1.67 0.00 -0.82 -1.35 119.26 120.67 1nn4 h ALA 21 Ca 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1nn4 h ALA 21 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nn4 h ALA 21 CO -0.03 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.27 1nn4 h HIS 22 N 0.91 0.70 0.03 0.00 6.17 -0.01 0.13 115.15 123.08 1nn4 h HIS 22 Ca 0.16 -0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.20 1nn4 h HIS 22 Cb 0.57 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 1nn4 h HIS 22 CO 0.04 0.59 -0.11 -0.07 0.71 0.00 0.00 177.93 179.10 1nn4 h LEU 23 N 0.60 -0.30 -0.77 0.26 3.38 -0.90 0.10 115.31 117.68 1nn4 h LEU 23 Ca 0.15 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1nn4 h LEU 23 Cb 0.19 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1nn4 h LEU 23 CO -0.01 -0.16 0.44 0.58 0.09 0.00 0.00 178.44 179.38 1nn4 h VAL 24 N -0.20 0.95 -1.00 1.22 2.07 -1.06 -0.02 116.25 118.21 1nn4 h VAL 24 Ca 0.03 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1nn4 h VAL 24 Cb 0.23 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1nn4 h VAL 24 CO -0.09 0.14 0.65 -0.08 0.02 0.00 0.00 177.57 178.21 1nn4 h GLU 25 N 0.77 1.16 0.00 1.57 4.57 0.11 -0.69 114.58 122.07 1nn4 h GLU 25 Ca 0.35 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1nn4 h GLU 25 Cb 0.27 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1nn4 h GLU 25 CO -0.21 0.77 0.00 0.54 -1.18 0.00 0.00 179.01 178.92 1nn4 n ARG 26 N -4.49 0.75 -0.78 1.92 5.12 0.27 -4.90 116.66 114.56 1nn4 n ARG 26 Ca 0.15 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1nn4 n ARG 26 Cb 0.17 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.99 0.87 3.74 -0.13 0.00 -0.27 -4.60 105.19 105.79 1nn4 n GLY 27 Ca 0.19 -0.54 -0.31 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 4.38 -0.31 1.61 -7.23 -0.76 -4.88 120.40 111.21 1nn4 s VAL 28 Ca 0.00 -0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 1nn4 s VAL 28 Cb 0.00 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.86 1nn4 s VAL 28 CO 0.00 0.18 0.55 -0.70 -0.31 0.00 0.00 175.10 174.82 1nn4 s GLU 29 N -2.18 3.86 -0.11 4.82 2.12 0.15 -4.05 118.70 123.31 1nn4 s GLU 29 Ca 0.26 0.15 -0.19 0.00 0.36 0.00 0.00 54.97 55.55 1nn4 s GLU 29 Cb -0.12 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1nn4 s GLU 29 CO 0.19 -0.52 0.50 0.08 -0.54 0.00 0.00 175.26 174.97 1nn4 s VAL 30 N 2.44 5.16 -0.72 3.70 1.01 -1.26 -1.92 120.40 128.82 1nn4 s VAL 30 Ca 0.22 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1nn4 s VAL 30 Cb -0.15 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.57 1nn4 s VAL 30 CO 0.12 0.33 0.55 -0.63 0.00 0.00 0.00 175.10 175.47 1nn4 s ILE 31 N 0.58 3.93 0.09 2.22 1.01 -0.58 -4.99 121.20 123.47 1nn4 s ILE 31 Ca 0.27 -3.29 -0.31 0.00 0.00 0.00 0.00 60.65 57.33 1nn4 s ILE 31 Cb -0.16 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 1nn4 s ILE 31 CO 0.11 -0.95 1.85 -0.62 0.00 0.00 0.00 174.94 175.33 1nn4 s ASP 32 N 0.37 6.45 -0.17 3.58 3.68 -1.26 -2.28 116.67 127.03 1nn4 s ASP 32 Ca 0.20 2.71 0.16 0.00 2.13 0.00 0.00 52.55 57.75 1nn4 s ASP 32 Cb -0.15 -2.56 0.38 0.00 -1.45 0.00 0.00 42.92 39.14 1nn4 s ASP 32 CO -0.07 -1.01 1.24 0.29 0.13 0.00 0.00 175.17 175.76 1nn4 n LYS 33 N 6.19 1.67 0.00 4.34 4.76 -0.25 -4.94 118.16 129.93 1nn4 n LYS 33 Ca 0.18 -2.87 0.00 0.00 -2.87 0.00 0.00 58.31 52.76 1nn4 n LYS 33 Cb 0.39 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.19 -3.15 0.79 0.72 0.00 -1.26 -4.87 105.19 96.23 1nn4 n GLY 34 Ca 0.19 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.49 0.00 -0.78 2.61 5.66 -0.22 -0.89 114.28 120.17 1nn4 n THR 35 Ca 0.00 -0.25 0.03 0.00 -3.05 0.00 0.00 64.05 60.78 1nn4 n THR 35 Cb 0.00 -1.65 0.04 0.00 -1.55 0.00 0.00 70.33 67.17 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 -2.10 0.00 -3.84 1.09 8.01 -1.26 -4.90 117.44 114.45 1nn4 n TRP 36 Ca 0.03 -0.47 -0.09 0.00 -1.31 0.00 0.00 57.50 55.67 1nn4 n TRP 36 Cb 0.12 -0.07 -0.04 0.00 -2.01 0.00 0.00 31.31 29.32 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 -1.33 -0.23 0.00 -0.99 1.04 -1.26 -5.02 113.70 105.91 1nn4 s SER 37 Ca 0.09 -0.62 0.30 0.00 0.48 0.00 0.00 55.95 56.19 1nn4 s SER 37 Cb 0.08 0.63 1.42 0.00 0.10 0.00 0.00 66.02 68.25 1nn4 s SER 37 CO 0.01 -1.17 1.95 -1.54 0.98 0.00 0.00 173.24 173.47 1nn4 n SER 38 N -0.39 0.82 -4.74 7.02 3.41 -1.26 -4.57 113.62 113.91 1nn4 n SER 38 Ca -0.06 -1.28 -0.41 0.00 -0.26 0.00 0.00 58.87 56.85 1nn4 n SER 38 Cb 0.61 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.00 4.29 -0.10 4.33 2.02 -1.26 -4.75 118.70 121.23 1nn4 s GLU 39 Ca 0.42 2.24 -0.39 0.00 0.02 0.00 0.00 54.97 57.27 1nn4 s GLU 39 Cb 0.21 -3.14 -0.17 0.00 0.10 0.00 0.00 34.13 31.14 1nn4 s GLU 39 CO 0.35 -0.40 1.48 -2.13 0.02 0.00 0.00 175.26 174.58 1nn4 n ARG 40 N 2.59 0.97 -4.30 1.61 0.63 -1.26 -4.63 116.66 112.26 1nn4 n ARG 40 Ca 0.07 0.35 -0.18 0.00 -0.92 0.00 0.00 57.85 57.17 1nn4 n ARG 40 Cb 0.41 -1.99 -0.09 0.00 0.45 0.00 0.00 32.46 31.24 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 1.76 0.13 -0.24 5.15 -1.32 -1.26 -5.03 115.64 114.84 1nn4 s THR 41 Ca 0.92 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 59.33 1nn4 s THR 41 Cb -1.06 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1nn4 s THR 41 CO 0.57 0.00 0.07 1.51 -2.21 0.00 0.00 174.62 174.56 1nn4 s ASP 42 N -3.35 5.17 0.42 8.08 -4.77 -1.26 -4.70 116.67 116.26 1nn4 s ASP 42 Ca 0.38 -0.17 0.08 0.00 -3.30 0.00 0.00 52.55 49.53 1nn4 s ASP 42 Cb 0.04 -1.92 0.88 0.00 -1.09 0.00 0.00 42.92 40.83 1nn4 s ASP 42 CO 0.21 -0.00 2.06 0.10 0.70 0.00 0.00 175.17 178.24 1nn4 h TYR 43 N 8.01 0.49 -0.82 2.11 -0.00 -2.00 -3.01 116.97 121.75 1nn4 h TYR 43 Ca -0.38 0.01 0.12 0.00 0.00 0.00 0.00 58.73 58.49 1nn4 h TYR 43 Cb 1.18 -0.17 -0.08 0.00 0.00 0.00 0.00 36.73 37.65 1nn4 h TYR 43 CO 0.65 0.31 0.43 -1.35 -0.00 0.00 0.00 178.16 178.20 1nn4 h PRO 44 N 0.53 0.65 -0.17 0.10 0.11 -1.94 -1.82 132.00 129.46 1nn4 h PRO 44 Ca 0.15 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.26 1nn4 h PRO 44 Cb -0.05 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 30.85 1nn4 h PRO 44 CO -0.03 0.43 -0.50 1.25 -0.21 0.00 0.00 178.00 178.94 1nn4 h HIS 45 N 0.67 -1.47 0.00 0.65 -0.00 -1.97 -0.77 115.15 112.26 1nn4 h HIS 45 Ca 0.42 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.83 1nn4 h HIS 45 Cb 0.51 0.66 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1nn4 h HIS 45 CO -0.09 -0.52 -0.08 1.88 -0.00 0.00 0.00 177.93 179.13 1nn4 h TYR 46 N -0.53 0.00 -0.02 5.26 -1.99 -1.61 0.36 116.97 118.45 1nn4 h TYR 46 Ca 0.06 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 1nn4 h TYR 46 Cb 0.66 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1nn4 h TYR 46 CO -0.57 0.08 -0.65 0.00 -0.00 0.00 0.00 178.16 177.02 1nn4 h ALA 47 N 1.92 0.89 -0.05 3.88 0.00 -0.41 -2.47 119.26 123.01 1nn4 h ALA 47 Ca -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.15 1nn4 h ALA 47 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nn4 h ALA 47 CO 0.01 0.80 -0.65 0.77 0.00 0.00 0.00 179.25 180.18 1nn4 h SER 48 N 0.05 0.66 0.22 0.00 0.02 0.38 -1.89 113.55 113.00 1nn4 h SER 48 Ca -0.01 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1nn4 h SER 48 Cb 1.16 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1nn4 h SER 48 CO 0.09 1.26 -0.25 1.56 -1.14 0.00 0.00 176.83 178.35 1nn4 h GLN 49 N 0.12 -0.50 -0.20 3.45 1.08 -1.10 -1.20 115.11 116.76 1nn4 h GLN 49 Ca -0.07 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1nn4 h GLN 49 Cb 1.31 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.85 1nn4 h GLN 49 CO 0.13 -0.33 0.00 0.28 -0.95 0.00 0.00 178.83 177.96 1nn4 h VAL 50 N -0.52 1.25 -0.27 -0.54 2.07 -1.55 -2.92 116.25 113.77 1nn4 h VAL 50 Ca 0.00 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1nn4 h VAL 50 Cb 0.49 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1nn4 h VAL 50 CO -0.08 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 177.68 1nn4 h ALA 51 N 0.79 0.14 -0.53 1.67 0.00 -1.25 -1.13 119.26 118.95 1nn4 h ALA 51 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nn4 h ALA 51 Cb 0.39 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nn4 h ALA 51 CO 0.01 -0.49 0.17 -0.07 0.00 0.00 0.00 179.25 178.87 1nn4 h LEU 52 N -0.04 0.73 -0.32 0.00 3.38 -1.26 0.89 115.31 118.69 1nn4 h LEU 52 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1nn4 h LEU 52 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nn4 h LEU 52 CO -0.30 0.69 -0.00 0.00 0.09 0.00 0.00 178.44 178.92 1nn4 h ALA 53 N 1.42 0.43 -0.13 1.53 0.00 -1.24 -1.20 119.26 120.07 1nn4 h ALA 53 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nn4 h ALA 53 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nn4 h ALA 53 CO -0.01 0.18 0.05 0.28 0.00 0.00 0.00 179.25 179.75 1nn4 h VAL 54 N 0.36 1.15 0.00 0.00 2.07 -0.89 -1.62 116.25 117.33 1nn4 h VAL 54 Ca 0.09 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1nn4 h VAL 54 Cb 0.44 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1nn4 h VAL 54 CO 0.02 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1nn4 n ALA 55 N -2.22 2.03 -0.42 1.67 0.00 0.28 -2.64 120.51 119.21 1nn4 n ALA 55 Ca -0.05 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1nn4 n ALA 55 Cb 0.12 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.50 1nn4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nn4 n GLY 56 N 0.58 2.78 2.96 0.00 0.00 -0.46 -4.94 105.19 106.12 1nn4 n GLY 56 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.97 0.23 0.21 -0.02 0.00 -1.08 -4.84 105.19 100.66 1nn4 n GLY 57 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1nn4 n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nn4 h GLU 58 N 0.57 0.00 -4.14 1.61 5.08 -1.54 -3.45 114.58 112.71 1nn4 h GLU 58 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nn4 h GLU 58 Cb 0.45 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.55 1nn4 h GLU 58 CO 0.00 0.29 -0.58 0.14 -1.00 0.00 0.00 179.01 177.86 1nn4 s VAL 59 N -3.97 0.17 0.04 3.13 -7.23 -1.21 -5.02 120.40 106.31 1nn4 s VAL 59 Ca -0.02 -1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 58.32 1nn4 s VAL 59 Cb 0.13 -1.57 -0.16 0.00 0.56 0.00 0.00 36.38 35.33 1nn4 s VAL 59 CO 0.67 -0.79 1.28 0.44 -0.31 0.00 0.00 175.10 176.39 1nn4 h ASP 60 N 2.97 0.50 -5.35 4.85 3.45 0.06 -3.43 116.42 119.48 1nn4 h ASP 60 Ca -0.34 -0.57 -0.18 0.00 0.43 0.00 0.00 57.03 56.37 1nn4 h ASP 60 Cb 1.17 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.74 1nn4 h ASP 60 CO 0.61 0.97 -0.05 -0.83 -1.57 0.00 0.00 179.24 178.38 1nn4 s GLY 61 N -3.68 1.08 0.05 2.75 0.00 -1.20 -4.97 107.32 101.35 1nn4 s GLY 61 Ca -0.14 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.39 1nn4 s GLY 61 CO 0.79 -0.76 -0.11 -0.32 0.00 0.00 0.00 173.10 172.69 1nn4 s GLY 62 N -3.17 0.69 -0.05 0.20 0.00 -0.45 -1.50 107.32 103.05 1nn4 s GLY 62 Ca 0.25 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1nn4 s GLY 62 CO 0.17 -0.88 -0.15 -0.42 0.00 0.00 0.00 173.10 171.81 1nn4 s ILE 63 N -1.21 1.30 0.01 0.90 1.01 -0.51 0.13 121.20 122.82 1nn4 s ILE 63 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1nn4 s ILE 63 Cb -0.09 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1nn4 s ILE 63 CO 0.01 0.38 -0.12 -0.76 0.00 0.00 0.00 174.94 174.46 1nn4 s LEU 64 N 0.24 2.07 -0.03 2.97 1.43 0.50 -0.83 118.68 125.04 1nn4 s LEU 64 Ca -0.07 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1nn4 s LEU 64 Cb -0.13 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1nn4 s LEU 64 CO 0.03 0.09 -0.17 -0.63 0.23 0.00 0.00 176.35 175.90 1nn4 s ILE 65 N -0.47 1.36 0.36 -0.59 1.01 -0.23 -2.85 121.20 119.79 1nn4 s ILE 65 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1nn4 s ILE 65 Cb -0.05 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1nn4 s ILE 65 CO 0.00 0.39 0.18 0.00 0.00 0.00 0.00 174.94 175.51 1nn4 h GLY 67 N 1.67 0.08 0.00 0.00 0.00 -1.84 -0.42 103.07 102.55 1nn4 h GLY 67 Ca -0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1nn4 h GLY 67 CO 0.42 0.09 -1.29 2.41 0.00 0.00 0.00 176.54 178.16 1nn4 n THR 68 N -3.85 0.29 0.00 4.70 -1.04 -1.26 -0.65 114.28 112.47 1nn4 n THR 68 Ca -0.02 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1nn4 n THR 68 Cb 0.60 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1nn4 n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nn4 n GLY 69 N 3.20 3.41 0.38 3.41 0.00 -1.23 -1.84 105.19 112.52 1nn4 n GLY 69 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 0.18 0.10 1.61 2.07 -1.94 -2.56 116.25 115.71 1nn4 h VAL 70 Ca 0.00 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1nn4 h VAL 70 Cb 0.00 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 1nn4 h VAL 70 CO 0.00 0.02 -0.45 1.23 0.02 0.00 0.00 177.57 178.39 1nn4 h GLY 71 N -1.12 -0.92 0.77 2.17 0.00 -1.99 0.53 103.07 102.50 1nn4 h GLY 71 Ca -0.09 0.54 0.17 0.00 0.00 0.00 0.00 47.33 47.95 1nn4 h GLY 71 CO 0.15 -0.27 0.45 1.19 0.00 0.00 0.00 176.54 178.06 1nn4 h ILE 72 N -0.67 0.71 0.10 2.60 2.10 -1.90 -0.11 117.51 120.34 1nn4 h ILE 72 Ca 0.02 -0.02 -0.27 0.00 1.08 0.00 0.00 64.86 65.67 1nn4 h ILE 72 Cb 0.70 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.07 1nn4 h ILE 72 CO -0.27 0.01 -1.28 0.77 -1.08 0.00 0.00 178.15 176.30 1nn4 h SER 73 N 0.05 0.33 -0.43 2.19 4.64 -0.86 -1.34 113.55 118.14 1nn4 h SER 73 Ca 0.30 -0.38 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1nn4 h SER 73 Cb 1.12 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1nn4 h SER 73 CO -0.02 1.30 0.01 0.40 -0.87 0.00 0.00 176.83 177.65 1nn4 h ILE 74 N 0.06 1.26 0.34 0.95 2.04 0.49 0.19 117.51 122.83 1nn4 h ILE 74 Ca -0.14 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 1nn4 h ILE 74 Cb 1.95 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1nn4 h ILE 74 CO 0.18 0.35 -0.31 0.00 0.00 0.00 0.00 178.15 178.36 1nn4 h ALA 75 N 0.90 -0.68 -0.80 1.87 0.00 -1.10 -2.58 119.26 116.87 1nn4 h ALA 75 Ca 0.12 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1nn4 h ALA 75 Cb 0.47 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1nn4 h ALA 75 CO 0.02 -0.91 0.38 0.00 0.00 0.00 0.00 179.25 178.73 1nn4 h ALA 76 N -0.14 1.17 0.00 0.00 0.00 -1.05 -0.93 119.26 118.32 1nn4 h ALA 76 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nn4 h ALA 76 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nn4 h ALA 76 CO -0.05 -0.13 0.00 -0.91 0.00 0.00 0.00 179.25 178.16 1nn4 h ASN 77 N 0.55 0.00 0.71 0.00 -0.26 -0.58 -2.44 115.58 113.55 1nn4 h ASN 77 Ca 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 1nn4 h ASN 77 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1nn4 h ASN 77 CO -0.37 0.00 0.00 0.11 -1.06 0.00 0.00 177.43 176.11 1nn4 h LYS 78 N 0.00 0.00 -6.56 0.81 1.79 -0.80 -3.44 116.57 108.37 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 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1nn4 h LYS 78 CO 0.00 0.00 0.35 -0.06 -1.08 0.00 0.00 179.45 178.66 1nn4 s PHE 79 N -3.62 3.82 0.17 -1.35 0.40 -0.92 -5.00 117.98 111.47 1nn4 s PHE 79 Ca 0.01 1.78 -0.32 0.00 -0.60 0.00 0.00 56.93 57.81 1nn4 s PHE 79 Cb 0.09 -3.03 -0.11 0.00 0.51 0.00 0.00 43.02 40.48 1nn4 s PHE 79 CO 0.45 0.23 1.68 0.00 0.70 0.00 0.00 175.22 178.28 1nn4 s ALA 80 N -0.08 3.83 0.00 5.36 0.00 -1.26 -2.24 121.76 127.37 1nn4 s ALA 80 Ca 0.46 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1nn4 s ALA 80 Cb -0.23 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1nn4 s ALA 80 CO 0.29 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1nn4 n GLY 81 N 3.95 0.75 3.50 0.00 0.00 -1.26 -4.90 105.19 107.23 1nn4 n GLY 81 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.67 3.62 -0.48 -0.61 -1.09 -0.95 -4.84 121.20 114.18 1nn4 s ILE 82 Ca 0.00 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1nn4 s ILE 82 Cb 0.00 -2.53 0.13 0.00 -1.58 0.00 0.00 42.46 38.48 1nn4 s ILE 82 CO 0.00 0.54 0.24 -0.13 -1.23 0.00 0.00 174.94 174.35 1nn4 s ARG 83 N -0.07 1.68 -0.01 2.79 0.52 -1.26 -4.78 118.95 117.81 1nn4 s ARG 83 Ca 0.00 -2.33 -0.16 0.00 -0.52 0.00 0.00 55.73 52.73 1nn4 s ARG 83 Cb -0.13 -2.93 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 1nn4 s ARG 83 CO 0.03 -1.11 0.44 0.00 0.02 0.00 0.00 175.30 174.67 1nn4 s ALA 84 N 0.05 3.64 -0.14 2.13 0.00 -1.26 -2.05 121.76 124.13 1nn4 s ALA 84 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1nn4 s ALA 84 Cb -0.25 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1nn4 s ALA 84 CO -0.01 0.38 -0.19 0.54 0.00 0.00 0.00 175.76 176.48 1nn4 s VAL 85 N -0.76 2.39 -0.06 0.00 0.11 -0.23 -4.96 120.40 116.88 1nn4 s VAL 85 Ca 0.25 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 1nn4 s VAL 85 Cb -0.17 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1nn4 s VAL 85 CO 0.13 0.53 -0.13 0.54 -3.33 0.00 0.00 175.10 172.85 1nn4 s VAL 86 N 0.70 3.15 0.26 2.04 0.11 -1.26 -0.87 120.40 124.53 1nn4 s VAL 86 Ca -0.09 -0.69 -0.20 0.00 -2.93 0.00 0.00 61.98 58.08 1nn4 s VAL 86 Cb -0.16 -2.25 0.06 0.00 -1.53 0.00 0.00 36.38 32.50 1nn4 s VAL 86 CO 0.01 0.59 0.90 0.00 -3.33 0.00 0.00 175.10 173.26 1nn4 n SER 88 N -1.05 0.59 -3.75 0.00 3.41 -1.26 -4.53 113.62 107.03 1nn4 n SER 88 Ca -0.06 -2.00 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 1nn4 n SER 88 Cb 0.60 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.62 0.71 0.37 4.33 4.04 -1.26 -4.97 118.70 121.30 1nn4 s GLU 89 Ca 0.06 -0.23 0.05 0.00 0.04 0.00 0.00 54.97 54.89 1nn4 s GLU 89 Cb 0.05 0.32 0.73 0.00 0.02 0.00 0.00 34.13 35.25 1nn4 s GLU 89 CO 0.01 -0.21 2.00 -1.35 -1.84 0.00 0.00 175.26 173.87 1nn4 h PRO 90 N 3.70 0.73 0.02 -4.83 0.11 -1.90 -3.30 132.00 126.54 1nn4 h PRO 90 Ca -0.30 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1nn4 h PRO 90 Cb 1.18 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1nn4 h PRO 90 CO 0.41 0.48 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.57 1nn4 h TYR 91 N 0.75 -0.51 -0.99 0.65 3.20 -1.96 -2.11 116.97 115.99 1nn4 h TYR 91 Ca 0.25 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1nn4 h TYR 91 Cb 0.07 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1nn4 h TYR 91 CO -0.00 -0.28 0.64 0.77 -1.64 0.00 0.00 178.16 177.66 1nn4 h SER 92 N -0.32 1.03 0.42 -2.11 0.02 -2.00 -0.51 113.55 110.09 1nn4 h SER 92 Ca 0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1nn4 h SER 92 Cb 0.39 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1nn4 h SER 92 CO -0.17 0.67 -0.23 0.00 -1.14 0.00 0.00 176.83 175.96 1nn4 h ALA 93 N 1.46 -0.61 0.30 3.77 0.00 -1.61 -1.07 119.26 121.50 1nn4 h ALA 93 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nn4 h ALA 93 Cb 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nn4 h ALA 93 CO -0.16 -0.85 -0.25 0.37 0.00 0.00 0.00 179.25 178.36 1nn4 h GLN 94 N -0.61 -0.53 -0.70 0.00 4.15 -1.02 -2.61 115.11 113.79 1nn4 h GLN 94 Ca -0.05 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1nn4 h GLN 94 Cb 0.48 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 1nn4 h GLN 94 CO 0.07 -0.36 0.46 1.25 -1.93 0.00 0.00 178.83 178.33 1nn4 h LEU 95 N -0.55 0.63 -1.33 -2.39 5.85 -1.10 -1.31 115.31 115.11 1nn4 h LEU 95 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1nn4 h LEU 95 Cb 0.49 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1nn4 h LEU 95 CO -0.02 0.41 -0.12 0.77 -0.34 0.00 0.00 178.44 179.14 1nn4 h SER 96 N 0.72 0.28 0.16 1.25 4.64 -0.83 0.56 113.55 120.34 1nn4 h SER 96 Ca 0.30 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1nn4 h SER 96 Cb 0.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1nn4 h SER 96 CO -0.10 0.44 -0.08 0.03 -0.87 0.00 0.00 176.83 176.25 1nn4 h ARG 97 N 0.28 -0.21 -0.53 4.77 2.47 -0.96 0.44 114.38 120.64 1nn4 h ARG 97 Ca 0.06 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.87 1nn4 h ARG 97 Cb 0.40 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 1nn4 h ARG 97 CO 0.02 0.22 0.18 1.96 0.56 0.00 0.00 179.97 182.90 1nn4 h GLN 98 N -0.81 0.34 0.00 0.04 4.20 -0.92 -1.57 115.11 116.39 1nn4 h GLN 98 Ca -0.02 -0.02 -0.38 0.00 0.06 0.00 0.00 58.65 58.28 1nn4 h GLN 98 Cb 0.53 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 1nn4 h GLN 98 CO 0.04 0.22 -2.45 0.72 -0.67 0.00 0.00 178.83 176.69 1nn4 n HIS 99 N -5.02 0.00 -0.10 2.96 8.25 0.19 -0.28 115.22 121.23 1nn4 n HIS 99 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1nn4 n HIS 99 Cb 0.23 -0.99 0.21 0.00 1.12 0.00 0.00 29.99 30.56 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 -3.18 3.28 -4.19 0.41 3.02 0.01 -4.82 115.26 109.79 1nn4 n ASN 100 Ca -0.44 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 51.80 1nn4 n ASN 100 Cb 1.01 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.07 -0.97 -4.73 6.41 2.03 -0.41 -4.81 116.55 115.14 1nn4 n ASP 101 Ca 0.17 -1.26 -0.42 0.00 0.52 0.00 0.00 54.79 53.80 1nn4 n ASP 101 Cb 0.51 -1.79 -0.03 0.00 -0.72 0.00 0.00 41.12 39.10 1nn4 n ASP 101 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1nn4 s THR 102 N -4.05 2.58 -0.95 5.18 -1.32 -0.79 -4.86 115.64 111.44 1nn4 s THR 102 Ca 0.17 0.44 0.10 0.00 -1.21 0.00 0.00 61.69 61.19 1nn4 s THR 102 Cb -0.09 -3.28 0.21 0.00 -1.51 0.00 0.00 72.50 67.82 1nn4 s THR 102 CO 0.98 0.05 1.09 -0.46 -2.21 0.00 0.00 174.62 174.07 1nn4 n ASN 103 N 3.42 2.50 -3.75 8.08 0.23 -0.87 -4.77 115.26 120.10 1nn4 n ASN 103 Ca 0.12 -1.81 -0.12 0.00 -0.53 0.00 0.00 54.58 52.23 1nn4 n ASN 103 Cb 0.39 -0.14 -0.13 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.94 -0.03 0.02 3.53 1.01 -1.21 -1.33 120.40 121.45 1nn4 s VAL 104 Ca 0.18 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1nn4 s VAL 104 Cb 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1nn4 s VAL 104 CO 0.13 0.04 -0.13 -0.22 0.00 0.00 0.00 175.10 174.93 1nn4 s LEU 105 N 0.86 2.86 0.00 3.92 0.20 0.12 -1.07 118.68 125.58 1nn4 s LEU 105 Ca -0.06 -0.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.36 1nn4 s LEU 105 Cb -0.07 -1.65 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1nn4 s LEU 105 CO -0.05 0.27 0.24 0.00 -0.29 0.00 0.00 176.35 176.52 1nn4 s ALA 106 N -0.94 -0.57 0.30 5.97 0.00 -0.05 -0.37 121.76 126.10 1nn4 s ALA 106 Ca 0.16 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 1nn4 s ALA 106 Cb -0.11 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1nn4 s ALA 106 CO 0.06 -0.27 0.83 -0.59 0.00 0.00 0.00 175.76 175.78 1nn4 s PHE 107 N -1.66 0.01 -0.12 0.00 -0.71 -1.13 -2.60 117.98 111.76 1nn4 s PHE 107 Ca -0.12 -0.55 -0.00 0.00 -1.04 0.00 0.00 56.93 55.21 1nn4 s PHE 107 Cb -0.05 0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 42.51 1nn4 s PHE 107 CO 0.02 -1.32 -0.12 0.20 -1.34 0.00 0.00 175.22 172.66 1nn4 s GLY 108 N -3.07 1.57 0.22 1.99 0.00 -0.77 -2.50 107.32 104.76 1nn4 s GLY 108 Ca 0.15 -0.88 0.22 0.00 0.00 0.00 0.00 44.72 44.21 1nn4 s GLY 108 CO 0.08 -0.24 1.67 -1.14 0.00 0.00 0.00 173.10 173.48 1nn4 n SER 109 N 3.38 0.57 -0.09 1.64 3.41 -0.17 -0.52 113.62 121.83 1nn4 n SER 109 Ca -0.18 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1nn4 n SER 109 Cb 0.53 -0.76 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 1nn4 n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nn4 n ARG 110 N -2.12 0.74 -0.12 4.33 5.12 0.17 -4.56 116.66 120.22 1nn4 n ARG 110 Ca 0.02 -0.19 -0.23 0.00 -1.93 0.00 0.00 57.85 55.52 1nn4 n ARG 110 Cb 0.22 -1.42 -0.08 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.17 1.39 -4.03 1.55 0.31 -0.72 -5.01 118.33 110.66 1nn4 n VAL 111 Ca 0.05 -0.25 -0.35 0.00 -0.01 0.00 0.00 64.34 63.78 1nn4 n VAL 111 Cb 0.33 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.24 1nn4 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nn4 s VAL 112 N -2.53 4.91 0.94 2.52 1.01 0.32 -5.04 120.40 122.53 1nn4 s VAL 112 Ca -0.33 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1nn4 s VAL 112 Cb 0.11 -3.17 0.15 0.00 0.00 0.00 0.00 36.38 33.48 1nn4 s VAL 112 CO 0.43 0.52 1.10 -0.83 0.00 0.00 0.00 175.10 176.33 1nn4 s GLY 113 N -0.19 1.58 0.10 4.51 0.00 -1.26 -4.64 107.32 107.42 1nn4 s GLY 113 Ca 0.08 -0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 1nn4 s GLY 113 CO 0.01 0.23 1.64 -2.00 0.00 0.00 0.00 173.10 172.98 1nn4 h LEU 114 N -1.66 -0.73 -0.61 0.66 5.85 -1.98 -1.96 115.31 114.87 1nn4 h LEU 114 Ca -0.52 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1nn4 h LEU 114 Cb 1.32 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 1nn4 h LEU 114 CO 0.58 -0.38 0.34 -0.33 -0.34 0.00 0.00 178.44 178.32 1nn4 h GLU 115 N -0.54 0.63 -0.69 1.25 4.39 -2.00 -1.47 114.58 116.15 1nn4 h GLU 115 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1nn4 h GLU 115 Cb 0.52 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1nn4 h GLU 115 CO -0.09 0.42 0.36 1.25 -1.16 0.00 0.00 179.01 179.79 1nn4 h LEU 116 N 0.65 0.88 -1.14 1.33 6.46 -1.93 -1.65 115.31 119.91 1nn4 h LEU 116 Ca 0.27 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1nn4 h LEU 116 Cb 0.13 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 1nn4 h LEU 116 CO -0.15 0.74 0.59 0.00 -0.62 0.00 0.00 178.44 179.00 1nn4 h ALA 117 N 1.18 1.48 -0.32 1.25 0.00 -0.61 0.58 119.26 122.82 1nn4 h ALA 117 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1nn4 h ALA 117 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nn4 h ALA 117 CO -0.04 0.40 -0.04 0.87 0.00 0.00 0.00 179.25 180.44 1nn4 h LYS 118 N 1.07 0.59 -0.70 0.00 1.57 -0.66 -0.78 116.57 117.66 1nn4 h LYS 118 Ca 0.38 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1nn4 h LYS 118 Cb 0.13 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1nn4 h LYS 118 CO -0.13 0.75 0.34 1.98 -0.57 0.00 0.00 179.45 181.82 1nn4 h MET 119 N 0.38 1.00 -0.38 3.15 4.05 -0.65 0.28 114.93 122.76 1nn4 h MET 119 Ca 0.09 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1nn4 h MET 119 Cb 0.51 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1nn4 h MET 119 CO 0.02 0.77 0.11 0.82 0.23 0.00 0.00 176.91 178.87 1nn4 h ILE 120 N 0.99 1.22 -0.37 1.77 2.04 -0.67 -1.01 117.51 121.49 1nn4 h ILE 120 Ca 0.24 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1nn4 h ILE 120 Cb 0.10 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1nn4 h ILE 120 CO -0.03 0.25 0.20 0.58 0.00 0.00 0.00 178.15 179.14 1nn4 h VAL 121 N 0.47 1.15 -0.05 1.67 2.07 -0.41 -1.11 116.25 120.04 1nn4 h VAL 121 Ca 0.12 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1nn4 h VAL 121 Cb 0.27 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1nn4 h VAL 121 CO -0.00 0.15 -0.23 0.44 0.02 0.00 0.00 177.57 177.95 1nn4 h ASP 122 N 0.46 -0.70 -0.82 0.57 3.32 -0.22 0.23 116.42 119.26 1nn4 h ASP 122 Ca 0.13 0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.40 1nn4 h ASP 122 Cb 0.07 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 1nn4 h ASP 122 CO -0.02 -0.29 0.43 0.00 -1.72 0.00 0.00 179.24 177.64 1nn4 h ALA 123 N 0.56 1.20 -0.14 3.45 0.00 -0.95 -1.67 119.26 121.71 1nn4 h ALA 123 Ca 0.08 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1nn4 h ALA 123 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nn4 h ALA 123 CO -0.24 -0.03 -0.32 2.35 0.00 0.00 0.00 179.25 181.01 1nn4 h TRP 124 N 0.67 0.59 0.16 0.00 7.01 -0.37 -3.06 115.95 120.95 1nn4 h TRP 124 Ca 0.43 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1nn4 h TRP 124 Cb 0.53 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1nn4 h TRP 124 CO -0.09 0.94 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.36 1nn4 h LEU 125 N 0.08 -0.18 -0.26 0.65 3.38 -0.28 -3.23 115.31 115.46 1nn4 h LEU 125 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nn4 h LEU 125 Cb 0.92 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nn4 h LEU 125 CO 0.07 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1nn4 n GLY 126 N -0.75 -1.33 3.85 0.83 0.00 -0.66 -1.50 105.19 105.63 1nn4 n GLY 126 Ca -0.09 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1nn4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nn4 s ALA 127 N -3.14 3.14 0.05 4.61 0.00 -1.16 -4.68 121.76 120.58 1nn4 s ALA 127 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1nn4 s ALA 127 Cb 0.11 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1nn4 s ALA 127 CO 0.42 -0.17 -0.14 -0.65 0.00 0.00 0.00 175.76 175.21 1nn4 s GLN 128 N -4.01 0.93 0.08 0.00 -0.21 -1.26 -4.83 119.66 110.36 1nn4 s GLN 128 Ca 0.57 -0.81 -0.31 0.00 0.02 0.00 0.00 55.36 54.83 1nn4 s GLN 128 Cb -0.10 -0.95 -0.08 0.00 1.00 0.00 0.00 33.01 32.89 1nn4 s GLN 128 CO 0.31 0.23 1.47 -0.47 -2.12 0.00 0.00 175.29 174.71 1nn4 s TYR 129 N -0.94 2.94 -2.14 0.91 5.04 -1.21 -3.64 117.35 118.30 1nn4 s TYR 129 Ca 0.01 0.74 0.27 0.00 -2.44 0.00 0.00 57.07 55.65 1nn4 s TYR 129 Cb -0.08 -3.77 1.41 0.00 0.35 0.00 0.00 41.96 39.87 1nn4 s TYR 129 CO 0.02 -2.85 1.93 0.39 -1.34 0.00 0.00 175.55 173.70 1nn4 n GLU 130 N 4.70 1.23 0.00 4.97 1.02 0.62 -4.95 120.64 128.24 1nn4 n GLU 130 Ca 0.13 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1nn4 n GLU 130 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 1.01 1.34 7.00 0.62 0.00 -1.26 -4.86 105.19 109.04 1nn4 n GLY 131 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.65 0.10 -0.02 0.00 -1.26 -3.19 105.19 102.46 1nn4 n GLY 132 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.66 1nn4 n GLY 132 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nn4 n ARG 133 N 12.62 0.14 0.11 1.61 1.85 -1.26 -2.62 116.66 129.11 1nn4 n ARG 133 Ca 0.00 0.41 -0.01 0.00 -1.00 0.00 0.00 57.85 57.24 1nn4 n ARG 133 Cb 0.00 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 1nn4 n ARG 133 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1nn4 h HIS 134 N 0.00 0.00 -0.16 2.89 3.86 -1.87 -3.25 115.15 116.62 1nn4 h HIS 134 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1nn4 h HIS 134 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1nn4 h HIS 134 CO 0.00 0.71 0.21 1.96 0.86 0.00 0.00 177.93 181.66 1nn4 h GLN 135 N 0.00 0.00 -0.28 2.45 4.20 -1.71 0.86 115.11 120.64 1nn4 h GLN 135 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1nn4 h GLN 135 Cb 1.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1nn4 h GLN 135 CO 0.09 0.00 -0.37 0.37 -0.67 0.00 0.00 178.83 178.25 1nn4 h GLN 136 N 0.00 0.74 0.47 1.46 4.15 -1.76 -1.07 115.11 119.10 1nn4 h GLN 136 Ca 0.08 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 1nn4 h GLN 136 Cb 0.49 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1nn4 h GLN 136 CO -0.00 1.05 -0.23 0.00 -1.93 0.00 0.00 178.83 177.72 1nn4 h ARG 137 N 0.48 -0.61 -0.80 1.69 -0.00 -1.06 0.12 114.38 114.20 1nn4 h ARG 137 Ca 0.03 0.04 0.15 0.00 -0.50 0.00 0.00 59.98 59.70 1nn4 h ARG 137 Cb 0.96 0.14 -0.06 0.00 0.00 0.00 0.00 29.97 31.01 1nn4 h ARG 137 CO 0.09 -0.31 0.53 0.28 0.00 0.00 0.00 179.97 180.56 1nn4 h VAL 138 N -0.91 0.80 -0.47 2.04 2.07 -1.31 0.32 116.25 118.79 1nn4 h VAL 138 Ca -0.07 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1nn4 h VAL 138 Cb 0.59 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1nn4 h VAL 138 CO 0.11 0.09 -0.23 -0.33 0.02 0.00 0.00 177.57 177.23 1nn4 h GLU 139 N 0.50 0.99 -0.75 1.57 5.08 -1.01 -2.10 114.58 118.86 1nn4 h GLU 139 Ca 0.40 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1nn4 h GLU 139 Cb 0.83 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1nn4 h GLU 139 CO -0.15 1.11 0.44 0.00 -1.00 0.00 0.00 179.01 179.41 1nn4 h ALA 140 N 0.87 1.36 -0.10 3.43 0.00 0.16 0.81 119.26 125.80 1nn4 h ALA 140 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nn4 h ALA 140 Cb 0.81 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nn4 h ALA 140 CO 0.07 0.55 0.04 0.82 0.00 0.00 0.00 179.25 180.72 1nn4 h ILE 141 N 1.04 1.16 -0.55 0.00 2.04 -0.67 -2.01 117.51 118.51 1nn4 h ILE 141 Ca 0.27 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1nn4 h ILE 141 Cb -0.02 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1nn4 h ILE 141 CO -0.05 0.14 0.37 0.74 0.00 0.00 0.00 178.15 179.34 1nn4 h THR 142 N -0.01 0.99 -0.87 -0.27 2.02 -0.79 -1.61 112.91 112.38 1nn4 h THR 142 Ca 0.03 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1nn4 h THR 142 Cb 0.18 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1nn4 h THR 142 CO -0.00 0.09 0.57 0.00 0.37 0.00 0.00 175.52 176.55 1nn4 h ALA 143 N 1.70 1.11 -0.19 6.16 0.00 -0.13 -3.03 119.26 124.88 1nn4 h ALA 143 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nn4 h ALA 143 Cb 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nn4 h ALA 143 CO -0.07 0.47 0.11 0.82 0.00 0.00 0.00 179.25 180.59 1nn4 h ILE 144 N 1.15 1.09 0.00 0.00 2.04 -0.88 -2.32 117.51 118.59 1nn4 h ILE 144 Ca 0.33 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1nn4 h ILE 144 Cb -0.09 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1nn4 h ILE 144 CO -0.08 0.09 0.12 -0.62 0.00 0.00 0.00 178.15 177.65 1nn4 n GLU 145 N -4.91 0.00 0.00 2.37 1.02 -1.15 -5.15 120.64 112.82 1nn4 n GLU 145 Ca -0.04 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1nn4 n GLU 145 Cb 0.06 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1nn4 n GLU 145 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35