#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn4 s HIS -11 N 0.00 3.01 -0.30 4.41 4.02 -1.26 -4.97 115.29 120.20 1nn4 s HIS -11 Ca 0.00 1.49 0.19 0.00 1.02 0.00 0.00 55.06 57.76 1nn4 s HIS -11 Cb 0.00 -2.98 0.47 0.00 -1.02 0.00 0.00 32.58 29.06 1nn4 s HIS -11 CO 0.00 -1.17 1.12 0.72 1.02 0.00 0.00 174.74 176.43 1nn4 n HIS -10 N -2.35 0.64 0.95 1.40 -0.00 -1.26 -4.95 115.22 109.64 1nn4 n HIS -10 Ca 0.08 -2.31 0.12 0.00 -0.00 0.00 0.00 57.72 55.62 1nn4 n HIS -10 Cb 0.53 0.02 0.25 0.00 -0.00 0.00 0.00 29.99 30.79 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 -0.51 0.50 -4.76 0.41 3.41 -1.26 -4.95 113.62 106.46 1nn4 n SER -9 Ca 0.05 -0.19 -0.34 0.00 -0.26 0.00 0.00 58.87 58.13 1nn4 n SER -9 Cb 0.82 0.23 0.05 0.00 -0.26 0.00 0.00 64.21 65.05 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 -3.14 5.00 0.08 4.04 1.04 -1.26 -4.94 113.70 114.52 1nn4 s SER -8 Ca 0.10 2.11 0.19 0.00 0.48 0.00 0.00 55.95 58.83 1nn4 s SER -8 Cb 0.17 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.60 1nn4 s SER -8 CO 0.70 -1.71 0.81 0.61 0.98 0.00 0.00 173.24 174.64 1nn4 n GLY -7 N -0.20 -1.24 3.07 7.32 0.00 -1.26 -4.74 105.19 108.14 1nn4 n GLY -7 Ca 0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.56 3.23 -0.08 0.99 1.02 -1.26 -5.12 118.68 111.89 1nn4 s LEU -6 Ca -0.03 -1.29 -0.16 0.00 0.02 0.00 0.00 54.13 52.67 1nn4 s LEU -6 Cb 0.09 -1.52 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 1nn4 s LEU -6 CO 0.81 -0.17 0.43 -0.89 0.02 0.00 0.00 176.35 176.55 1nn4 s THR -5 N 1.14 5.15 -0.23 5.49 2.01 -1.26 -5.04 115.64 122.90 1nn4 s THR -5 Ca -0.07 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 1nn4 s THR -5 Cb -0.19 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1nn4 s THR -5 CO -0.06 0.42 1.45 -2.84 -0.69 0.00 0.00 174.62 172.90 1nn4 s PRO -4 N 0.02 3.92 0.55 4.92 0.02 -1.26 -4.99 135.00 138.18 1nn4 s PRO -4 Ca 0.24 1.54 -0.19 0.00 0.02 0.00 0.00 61.00 62.61 1nn4 s PRO -4 Cb -0.15 -3.94 -0.05 0.00 0.02 0.00 0.00 34.50 30.38 1nn4 s PRO -4 CO 0.10 -1.12 1.12 0.50 -0.33 0.00 0.00 177.00 177.27 1nn4 s ARG -3 N 4.28 3.33 0.30 5.54 3.52 -1.26 -4.94 118.95 129.73 1nn4 s ARG -3 Ca 0.64 1.57 -0.29 0.00 -0.13 0.00 0.00 55.73 57.52 1nn4 s ARG -3 Cb -0.22 -2.01 -0.13 0.00 -1.56 0.00 0.00 34.95 31.03 1nn4 s ARG -3 CO 0.25 -0.86 1.19 0.41 -0.81 0.00 0.00 175.30 175.48 1nn4 n GLY -2 N 0.05 0.25 3.72 8.12 0.00 -1.26 -4.35 105.19 111.73 1nn4 n GLY -2 Ca 0.11 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 1nn4 n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nn4 n SER -1 N 1.19 3.52 -0.11 1.61 2.88 -1.26 -4.51 113.62 116.94 1nn4 n SER -1 Ca 0.08 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 1nn4 n SER -1 Cb 0.33 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.51 1nn4 n SER -1 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nn4 n GLN 0 N 1.99 0.36 -4.02 -1.46 -0.06 -0.71 -4.76 117.38 108.72 1nn4 n GLN 0 Ca 0.09 -0.22 -0.34 0.00 -2.00 0.00 0.00 57.00 54.53 1nn4 n GLN 0 Cb 0.35 -1.50 -0.15 0.00 -4.06 0.00 0.00 30.24 24.89 1nn4 n GLN 0 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 1nn4 s MET 1 N -2.79 3.05 0.09 3.69 1.00 -1.26 -5.02 119.30 118.06 1nn4 s MET 1 Ca 0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 55.69 54.94 1nn4 s MET 1 Cb 0.18 -2.80 -0.20 0.00 0.00 0.00 0.00 34.83 32.00 1nn4 s MET 1 CO 0.64 -0.26 1.20 0.87 0.00 0.00 0.00 175.02 177.47 1nn4 h LYS 2 N 8.00 0.51 -4.50 2.03 1.79 -1.92 -3.46 116.57 119.03 1nn4 h LYS 2 Ca -0.41 -0.63 -0.39 0.00 -2.18 0.00 0.00 60.65 57.04 1nn4 h LYS 2 Cb 1.14 0.19 -0.30 0.00 -1.58 0.00 0.00 32.23 31.68 1nn4 h LYS 2 CO 0.61 1.25 -0.78 -1.59 -1.08 0.00 0.00 179.45 177.86 1nn4 s LYS 3 N -3.11 0.75 -0.00 3.15 -2.85 -1.26 -1.14 119.74 115.27 1nn4 s LYS 3 Ca -0.07 -0.26 0.07 0.00 -1.00 0.00 0.00 55.97 54.71 1nn4 s LYS 3 Cb 0.07 -0.72 -0.02 0.00 -2.06 0.00 0.00 37.83 35.10 1nn4 s LYS 3 CO 0.90 0.12 -0.22 0.42 0.10 0.00 0.00 175.35 176.67 1nn4 s ILE 4 N 0.08 1.74 -0.23 3.79 -1.09 0.10 -0.65 121.20 124.95 1nn4 s ILE 4 Ca -0.01 -1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 57.25 1nn4 s ILE 4 Cb -0.06 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1nn4 s ILE 4 CO -0.00 0.43 0.35 0.00 -1.23 0.00 0.00 174.94 174.49 1nn4 s ALA 5 N -0.58 3.57 -0.08 9.38 0.00 -0.37 -0.14 121.76 133.54 1nn4 s ALA 5 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1nn4 s ALA 5 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1nn4 s ALA 5 CO -0.00 -0.38 -0.03 0.12 0.00 0.00 0.00 175.76 175.47 1nn4 s PHE 6 N 1.47 3.06 -0.06 0.00 2.19 -0.22 -1.59 117.98 122.84 1nn4 s PHE 6 Ca 0.16 0.10 -0.14 0.00 0.33 0.00 0.00 56.93 57.38 1nn4 s PHE 6 Cb -0.15 -1.76 0.03 0.00 -1.31 0.00 0.00 43.02 39.83 1nn4 s PHE 6 CO 0.08 0.39 0.33 0.20 1.83 0.00 0.00 175.22 178.05 1nn4 s GLY 7 N -0.80 -0.20 0.14 13.12 0.00 -0.68 -0.30 107.32 118.61 1nn4 s GLY 7 Ca 0.12 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 45.19 1nn4 s GLY 7 CO 0.02 0.40 0.63 0.00 0.00 0.00 0.00 173.10 174.15 1nn4 n ASP 9 N -0.34 0.05 0.18 0.00 3.85 -1.04 -2.53 116.55 116.73 1nn4 n ASP 9 Ca -0.16 -1.04 0.06 0.00 -0.71 0.00 0.00 54.79 52.94 1nn4 n ASP 9 Cb 0.64 -0.01 0.54 0.00 -1.35 0.00 0.00 41.12 40.95 1nn4 n ASP 9 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.20 177.31 1nn4 h HIS 10 N -0.07 0.14 0.12 2.11 2.07 -1.79 0.12 115.15 117.85 1nn4 h HIS 10 Ca -0.01 -0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 1nn4 h HIS 10 Cb 0.03 -0.04 0.02 0.00 2.57 0.00 0.00 27.41 29.98 1nn4 h HIS 10 CO 0.00 0.14 -0.85 0.28 -3.07 0.00 0.00 177.93 174.43 1nn4 h VAL 11 N 0.14 1.45 0.00 6.12 2.07 -1.89 -3.29 116.25 120.85 1nn4 h VAL 11 Ca 0.04 -2.50 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 1nn4 h VAL 11 Cb 0.08 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1nn4 h VAL 11 CO -0.00 0.70 -0.14 1.23 0.02 0.00 0.00 177.57 179.38 1nn4 h GLY 12 N -0.37 0.00 0.90 2.17 0.00 -1.66 -2.69 103.07 101.43 1nn4 h GLY 12 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.28 1nn4 h GLY 12 CO 0.12 0.00 0.44 -2.75 0.00 0.00 0.00 176.54 174.35 1nn4 h PHE 13 N 0.00 0.00 -0.27 5.60 3.04 -0.83 -1.34 116.94 123.14 1nn4 h PHE 13 Ca -0.00 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 1nn4 h PHE 13 Cb 0.41 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1nn4 h PHE 13 CO 0.00 0.00 0.27 0.82 -2.02 0.00 0.00 178.31 177.38 1nn4 h ILE 14 N 0.00 0.51 -0.00 1.41 2.04 -1.66 -1.55 117.51 118.25 1nn4 h ILE 14 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1nn4 h ILE 14 Cb 1.06 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1nn4 h ILE 14 CO -0.00 0.00 -0.71 0.18 0.00 0.00 0.00 178.15 177.62 1nn4 n LEU 15 N -3.89 0.73 0.00 1.44 4.77 -0.51 -4.82 117.00 114.72 1nn4 n LEU 15 Ca 0.04 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1nn4 n LEU 15 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1nn4 n LEU 15 CO 0.29 0.18 0.43 1.17 -1.33 0.00 0.00 177.39 178.13 1nn4 n LYS 16 N -1.33 0.00 -0.14 3.23 4.81 -0.58 -1.37 118.16 122.77 1nn4 n LYS 16 Ca 0.03 0.77 -0.10 0.00 -0.87 0.00 0.00 58.31 58.13 1nn4 n LYS 16 Cb 0.24 -1.37 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 1nn4 n LYS 16 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nn4 h HIS 17 N 0.00 -1.36 -0.80 5.64 3.86 -1.88 0.29 115.15 120.90 1nn4 h HIS 17 Ca 0.00 0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.36 1nn4 h HIS 17 Cb 0.00 0.65 -0.05 0.00 1.06 0.00 0.00 27.41 29.06 1nn4 h HIS 17 CO -0.52 -0.37 0.52 0.93 0.86 0.00 0.00 177.93 179.36 1nn4 h GLU 18 N -0.26 0.76 -0.12 2.45 5.08 -1.90 0.47 114.58 121.06 1nn4 h GLU 18 Ca 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1nn4 h GLU 18 Cb 0.44 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1nn4 h GLU 18 CO -0.51 0.50 -0.21 0.82 -1.00 0.00 0.00 179.01 178.61 1nn4 h ILE 19 N 0.79 1.38 -0.25 3.13 1.08 -0.33 -0.99 117.51 122.32 1nn4 h ILE 19 Ca 0.36 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1nn4 h ILE 19 Cb 0.36 2.06 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1nn4 h ILE 19 CO -0.13 0.43 0.16 0.58 -0.69 0.00 0.00 178.15 178.50 1nn4 h VAL 20 N -0.07 1.08 -0.78 1.67 2.07 0.16 0.38 116.25 120.76 1nn4 h VAL 20 Ca 0.01 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1nn4 h VAL 20 Cb 0.80 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1nn4 h VAL 20 CO 0.05 0.08 0.40 0.00 0.02 0.00 0.00 177.57 178.11 1nn4 h ALA 21 N 1.07 1.13 -0.46 1.67 0.00 -0.05 -0.09 119.26 122.53 1nn4 h ALA 21 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nn4 h ALA 21 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nn4 h ALA 21 CO -0.02 -0.06 0.19 1.25 0.00 0.00 0.00 179.25 180.61 1nn4 h HIS 22 N 0.62 0.69 -0.11 0.00 6.17 -0.30 -0.80 115.15 121.42 1nn4 h HIS 22 Ca 0.41 -0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.46 1nn4 h HIS 22 Cb 0.50 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 1nn4 h HIS 22 CO -0.10 0.59 -0.04 -0.07 0.71 0.00 0.00 177.93 179.01 1nn4 h LEU 23 N 0.60 -0.15 -0.50 0.26 3.38 0.37 -2.15 115.31 117.11 1nn4 h LEU 23 Ca 0.15 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1nn4 h LEU 23 Cb 0.19 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1nn4 h LEU 23 CO -0.01 -0.06 0.26 0.58 0.09 0.00 0.00 178.44 179.30 1nn4 h VAL 24 N -0.03 0.97 0.00 1.22 2.07 -0.88 -1.32 116.25 118.28 1nn4 h VAL 24 Ca 0.06 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1nn4 h VAL 24 Cb 0.12 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1nn4 h VAL 24 CO -0.13 0.09 0.00 1.21 0.02 0.00 0.00 177.57 178.77 1nn4 n GLU 25 N -4.87 0.05 -0.24 1.57 2.13 -0.32 -0.37 120.64 118.59 1nn4 n GLU 25 Ca 0.04 0.38 0.10 0.00 0.66 0.00 0.00 57.16 58.35 1nn4 n GLU 25 Cb 0.12 -1.61 0.23 0.00 0.27 0.00 0.00 31.44 30.45 1nn4 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1nn4 n ARG 26 N -1.70 2.52 -1.52 5.31 1.74 -0.55 -4.97 116.66 117.48 1nn4 n ARG 26 Ca 0.02 -2.30 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 1nn4 n ARG 26 Cb 0.12 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1nn4 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nn4 n GLY 27 N 1.32 0.45 3.63 -0.13 0.00 0.50 -4.73 105.19 106.23 1nn4 n GLY 27 Ca 0.19 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 3.79 -0.12 1.61 -7.23 -0.89 -4.93 120.40 110.64 1nn4 s VAL 28 Ca 0.00 -0.89 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 1nn4 s VAL 28 Cb 0.00 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1nn4 s VAL 28 CO 0.00 0.27 0.70 -0.70 -0.31 0.00 0.00 175.10 175.05 1nn4 s GLU 29 N -1.83 4.35 -0.27 4.82 2.12 -0.29 -3.98 118.70 123.63 1nn4 s GLU 29 Ca 0.21 0.82 -0.09 0.00 0.36 0.00 0.00 54.97 56.27 1nn4 s GLU 29 Cb -0.11 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1nn4 s GLU 29 CO 0.12 -0.07 0.13 0.08 -0.54 0.00 0.00 175.26 174.97 1nn4 s VAL 30 N 1.30 4.75 -0.57 3.70 1.01 -1.26 0.02 120.40 129.35 1nn4 s VAL 30 Ca 0.35 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1nn4 s VAL 30 Cb -0.17 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.05 1nn4 s VAL 30 CO 0.15 0.29 0.69 -0.63 0.00 0.00 0.00 175.10 175.59 1nn4 s ILE 31 N 1.68 4.83 -0.62 2.22 -1.09 0.80 -4.95 121.20 124.07 1nn4 s ILE 31 Ca 0.07 -0.89 -0.28 0.00 -2.23 0.00 0.00 60.65 57.32 1nn4 s ILE 31 Cb -0.16 -4.45 0.03 0.00 -1.58 0.00 0.00 42.46 36.31 1nn4 s ILE 31 CO 0.07 -1.06 1.20 -0.62 -1.23 0.00 0.00 174.94 173.30 1nn4 s ASP 32 N 3.43 6.37 -0.59 3.58 3.68 -1.26 -1.05 116.67 130.82 1nn4 s ASP 32 Ca 0.12 -0.07 -0.02 0.00 2.13 0.00 0.00 52.55 54.71 1nn4 s ASP 32 Cb -0.23 -2.55 0.31 0.00 -1.45 0.00 0.00 42.92 39.00 1nn4 s ASP 32 CO 0.07 -1.56 2.16 0.29 0.13 0.00 0.00 175.17 176.26 1nn4 n LYS 33 N 8.61 2.45 -0.92 4.34 4.76 0.59 -4.96 118.16 133.04 1nn4 n LYS 33 Ca 0.07 -2.79 0.12 0.00 -2.87 0.00 0.00 58.31 52.84 1nn4 n LYS 33 Cb 0.49 -2.11 -0.04 0.00 -1.84 0.00 0.00 35.03 31.53 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 -0.24 -2.14 0.00 0.72 0.00 -1.26 -4.72 105.19 97.55 1nn4 n GLY 34 Ca 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.44 0.00 -2.19 2.61 5.66 -1.05 -2.50 114.28 113.37 1nn4 n THR 35 Ca -0.01 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.03 1nn4 n THR 35 Cb 0.42 -1.25 0.08 0.00 -1.55 0.00 0.00 70.33 68.03 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 -0.55 0.00 -3.61 1.09 8.01 -1.26 -4.95 117.44 116.16 1nn4 n TRP 36 Ca 0.00 -0.82 -0.05 0.00 -1.31 0.00 0.00 57.50 55.32 1nn4 n TRP 36 Cb 0.00 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.31 29.10 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 -2.39 -0.22 0.00 -0.99 1.04 -1.26 -4.99 113.70 104.88 1nn4 s SER 37 Ca 0.35 -0.14 0.19 0.00 0.48 0.00 0.00 55.95 56.82 1nn4 s SER 37 Cb 0.38 0.34 0.87 0.00 0.10 0.00 0.00 66.02 67.71 1nn4 s SER 37 CO -0.13 -0.60 1.59 -1.54 0.98 0.00 0.00 173.24 173.54 1nn4 n SER 38 N -0.33 0.87 -4.74 7.02 3.41 -1.26 -4.41 113.62 114.18 1nn4 n SER 38 Ca -0.06 -1.60 -0.41 0.00 -0.26 0.00 0.00 58.87 56.53 1nn4 n SER 38 Cb 0.61 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.88 4.33 0.20 4.33 2.02 -1.26 -4.81 118.70 121.63 1nn4 s GLU 39 Ca 0.29 2.18 -0.32 0.00 0.02 0.00 0.00 54.97 57.14 1nn4 s GLU 39 Cb 0.15 -3.14 -0.15 0.00 0.10 0.00 0.00 34.13 31.09 1nn4 s GLU 39 CO 0.23 -0.32 1.25 -2.13 0.02 0.00 0.00 175.26 174.31 1nn4 n ARG 40 N 2.28 1.51 -4.03 1.61 0.63 -1.26 -4.50 116.66 112.90 1nn4 n ARG 40 Ca 0.06 0.54 -0.11 0.00 -0.92 0.00 0.00 57.85 57.41 1nn4 n ARG 40 Cb 0.41 -2.09 -0.05 0.00 0.45 0.00 0.00 32.46 31.19 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 -0.19 0.00 -0.27 5.15 -1.32 -1.26 -4.98 115.64 112.77 1nn4 s THR 41 Ca 0.70 -1.48 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1nn4 s THR 41 Cb -0.77 -2.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.77 1nn4 s THR 41 CO 0.52 0.00 0.16 1.51 -2.21 0.00 0.00 174.62 174.60 1nn4 s ASP 42 N -3.10 5.85 0.44 8.08 -4.77 -1.26 -4.63 116.67 117.29 1nn4 s ASP 42 Ca 0.26 -0.04 0.11 0.00 -3.30 0.00 0.00 52.55 49.58 1nn4 s ASP 42 Cb -0.00 -2.08 1.00 0.00 -1.09 0.00 0.00 42.92 40.75 1nn4 s ASP 42 CO 0.13 -0.04 2.07 0.10 0.70 0.00 0.00 175.17 178.13 1nn4 h TYR 43 N 8.26 0.37 -0.81 2.11 -0.00 -1.99 -2.88 116.97 122.02 1nn4 h TYR 43 Ca -0.36 0.01 0.20 0.00 0.00 0.00 0.00 58.73 58.58 1nn4 h TYR 43 Cb 1.19 -0.12 -0.05 0.00 0.00 0.00 0.00 36.73 37.74 1nn4 h TYR 43 CO 0.73 0.22 0.56 -1.35 -0.00 0.00 0.00 178.16 178.32 1nn4 h PRO 44 N 0.39 0.25 -0.07 0.10 0.11 -1.94 -0.77 132.00 130.06 1nn4 h PRO 44 Ca 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1nn4 h PRO 44 Cb 0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1nn4 h PRO 44 CO -0.03 0.17 -0.03 1.25 -0.21 0.00 0.00 178.00 179.14 1nn4 h HIS 45 N 0.26 0.16 -0.43 0.65 -0.00 -1.94 -1.63 115.15 112.22 1nn4 h HIS 45 Ca 0.41 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1nn4 h HIS 45 Cb 1.20 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 1nn4 h HIS 45 CO -0.00 0.51 -0.07 1.88 -0.00 0.00 0.00 177.93 180.25 1nn4 h TYR 46 N -0.23 0.80 -0.44 5.26 -1.99 -1.50 0.25 116.97 119.12 1nn4 h TYR 46 Ca 0.02 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 1nn4 h TYR 46 Cb 0.47 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 1nn4 h TYR 46 CO 0.07 0.79 0.02 0.00 -0.00 0.00 0.00 178.16 179.03 1nn4 h ALA 47 N 1.24 1.22 -0.09 3.88 0.00 -1.15 -2.40 119.26 121.96 1nn4 h ALA 47 Ca 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1nn4 h ALA 47 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nn4 h ALA 47 CO 0.03 0.52 -0.15 1.03 0.00 0.00 0.00 179.25 180.68 1nn4 h SER 48 N 0.66 0.29 -0.02 0.00 0.87 -0.66 -0.38 113.55 114.31 1nn4 h SER 48 Ca 0.14 -0.54 0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1nn4 h SER 48 Cb 0.38 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1nn4 h SER 48 CO 0.01 0.77 -0.20 1.56 -0.53 0.00 0.00 176.83 178.44 1nn4 h GLN 49 N -0.19 -0.30 -0.43 2.24 1.08 -0.84 0.27 115.11 116.95 1nn4 h GLN 49 Ca 0.01 0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 1nn4 h GLN 49 Cb 0.71 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1nn4 h GLN 49 CO 0.03 -0.20 -0.16 0.28 -0.95 0.00 0.00 178.83 177.84 1nn4 h VAL 50 N -0.31 1.28 0.03 -0.54 2.07 -1.52 -2.24 116.25 115.03 1nn4 h VAL 50 Ca 0.06 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1nn4 h VAL 50 Cb 0.39 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1nn4 h VAL 50 CO -0.20 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 177.78 1nn4 h ALA 51 N 0.84 -0.08 -0.22 1.67 0.00 -0.70 -0.55 119.26 120.22 1nn4 h ALA 51 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nn4 h ALA 51 Cb 0.72 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1nn4 h ALA 51 CO 0.05 -0.56 -0.05 -0.07 0.00 0.00 0.00 179.25 178.63 1nn4 h LEU 52 N -0.11 0.31 -0.02 0.00 3.38 -0.47 -0.87 115.31 117.53 1nn4 h LEU 52 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nn4 h LEU 52 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nn4 h LEU 52 CO -0.03 0.41 -0.01 0.00 0.09 0.00 0.00 178.44 178.90 1nn4 h ALA 53 N 1.63 0.03 -0.70 1.53 0.00 -1.03 -0.89 119.26 119.83 1nn4 h ALA 53 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nn4 h ALA 53 Cb 0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1nn4 h ALA 53 CO 0.01 -0.26 0.46 0.28 0.00 0.00 0.00 179.25 179.74 1nn4 h VAL 54 N -0.35 1.15 -0.53 0.00 2.07 -0.87 -2.60 116.25 115.11 1nn4 h VAL 54 Ca 0.00 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1nn4 h VAL 54 Cb 0.42 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1nn4 h VAL 54 CO 0.00 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.64 1nn4 h ALA 55 N 1.27 0.78 0.00 1.67 0.00 -1.15 -2.64 119.26 119.19 1nn4 h ALA 55 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nn4 h ALA 55 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1nn4 h ALA 55 CO -0.08 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1nn4 n GLY 56 N -0.27 -0.61 2.72 0.00 0.00 -0.34 -4.87 105.19 101.82 1nn4 n GLY 56 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.33 1.12 0.16 -0.02 0.00 -1.00 -4.83 105.19 100.96 1nn4 n GLY 57 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 1.14 -3.72 1.61 0.28 -1.02 -4.83 120.64 113.14 1nn4 n GLU 58 Ca -0.12 -0.32 -0.13 0.00 -0.16 0.00 0.00 57.16 56.43 1nn4 n GLU 58 Cb 0.59 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.89 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 -2.09 0.06 0.23 3.84 0.11 -1.25 -5.02 120.40 116.28 1nn4 s VAL 59 Ca 0.42 -0.50 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1nn4 s VAL 59 Cb 0.21 -0.83 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 1nn4 s VAL 59 CO 0.38 -0.27 1.54 0.44 -3.33 0.00 0.00 175.10 173.86 1nn4 h ASP 60 N 3.39 0.18 -5.17 3.54 3.32 -1.21 -3.43 116.42 117.04 1nn4 h ASP 60 Ca -0.30 -0.11 0.07 0.00 0.02 0.00 0.00 57.03 56.71 1nn4 h ASP 60 Cb 1.19 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1nn4 h ASP 60 CO 0.43 0.78 0.40 -0.83 -1.72 0.00 0.00 179.24 178.30 1nn4 s GLY 61 N -4.40 0.16 0.03 2.75 0.00 -1.20 -4.97 107.32 99.69 1nn4 s GLY 61 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1nn4 s GLY 61 CO 0.79 0.64 -0.11 -0.32 0.00 0.00 0.00 173.10 174.10 1nn4 s GLY 62 N -3.15 0.63 -0.11 0.20 0.00 0.07 -1.23 107.32 103.73 1nn4 s GLY 62 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1nn4 s GLY 62 CO 0.08 -0.67 -0.10 -0.42 0.00 0.00 0.00 173.10 171.98 1nn4 s ILE 63 N -0.79 1.18 0.04 0.90 1.01 -0.62 -0.70 121.20 122.23 1nn4 s ILE 63 Ca -0.00 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1nn4 s ILE 63 Cb -0.07 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1nn4 s ILE 63 CO 0.01 0.39 -0.26 -0.76 0.00 0.00 0.00 174.94 174.31 1nn4 s LEU 64 N 1.41 2.17 -0.04 2.97 1.43 0.53 -1.68 118.68 125.47 1nn4 s LEU 64 Ca 0.00 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1nn4 s LEU 64 Cb -0.13 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.84 1nn4 s LEU 64 CO -0.06 0.26 0.01 -0.63 0.23 0.00 0.00 176.35 176.16 1nn4 s ILE 65 N -0.80 0.16 0.37 -0.59 1.01 -0.56 -2.72 121.20 118.06 1nn4 s ILE 65 Ca 0.12 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1nn4 s ILE 65 Cb -0.10 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1nn4 s ILE 65 CO 0.02 0.18 0.24 0.00 0.00 0.00 0.00 174.94 175.38 1nn4 h GLY 67 N 1.97 1.71 0.00 0.00 0.00 -1.87 -1.80 103.07 103.08 1nn4 h GLY 67 Ca -0.28 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.50 1nn4 h GLY 67 CO 0.42 -0.00 -1.70 -0.37 0.00 0.00 0.00 176.54 174.88 1nn4 n THR 68 N -4.71 0.70 0.00 4.70 5.66 -1.26 -1.00 114.28 118.37 1nn4 n THR 68 Ca 0.22 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1nn4 n THR 68 Cb 0.52 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 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 2.49 3.00 0.18 1.09 0.00 -1.21 -2.52 105.19 108.22 1nn4 n GLY 69 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.73 0.51 1.61 2.07 -1.92 -0.89 116.25 118.35 1nn4 h VAL 70 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1nn4 h VAL 70 Cb 0.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1nn4 h VAL 70 CO 0.00 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 178.55 1nn4 h GLY 71 N -0.39 -0.76 1.39 2.17 0.00 -2.00 -0.44 103.07 103.04 1nn4 h GLY 71 Ca -0.04 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1nn4 h GLY 71 CO 0.06 -0.28 0.31 1.19 0.00 0.00 0.00 176.54 177.83 1nn4 h ILE 72 N -0.73 1.02 -0.34 2.60 2.10 -1.91 -1.29 117.51 118.97 1nn4 h ILE 72 Ca -0.06 -0.17 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 1nn4 h ILE 72 Cb 0.57 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 1nn4 h ILE 72 CO 0.09 0.09 0.13 -1.28 -1.08 0.00 0.00 178.15 176.10 1nn4 h SER 73 N 0.48 0.47 -0.11 2.19 0.87 -0.71 -2.09 113.55 114.65 1nn4 h SER 73 Ca 0.20 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1nn4 h SER 73 Cb 0.17 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1nn4 h SER 73 CO -0.05 0.51 0.07 0.40 -0.53 0.00 0.00 176.83 177.23 1nn4 h ILE 74 N 0.40 1.06 -0.64 2.23 2.04 -0.00 -1.84 117.51 120.75 1nn4 h ILE 74 Ca 0.11 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.94 1nn4 h ILE 74 Cb 0.19 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1nn4 h ILE 74 CO -0.01 0.05 0.21 0.00 0.00 0.00 0.00 178.15 178.40 1nn4 h ALA 75 N 1.00 0.83 -0.71 1.87 0.00 -1.20 -1.32 119.26 119.73 1nn4 h ALA 75 Ca 0.04 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1nn4 h ALA 75 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nn4 h ALA 75 CO -0.01 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.22 1nn4 h ALA 76 N 1.48 0.92 0.00 0.00 0.00 -1.12 -2.46 119.26 118.08 1nn4 h ALA 76 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nn4 h ALA 76 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nn4 h ALA 76 CO -0.37 0.60 0.00 -0.91 0.00 0.00 0.00 179.25 178.57 1nn4 h ASN 77 N 1.04 0.00 0.99 0.00 -0.26 -0.40 -2.20 115.58 114.76 1nn4 h ASN 77 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1nn4 h ASN 77 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1nn4 h ASN 77 CO -0.01 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.65 1nn4 n LYS 78 N -2.34 0.09 -3.27 0.81 4.76 -0.92 -4.78 118.16 112.52 1nn4 n LYS 78 Ca 0.00 0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 1nn4 n LYS 78 Cb 0.16 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.67 1nn4 n LYS 78 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1nn4 s PHE 79 N -3.06 3.79 0.11 2.13 0.40 -0.83 -5.04 117.98 115.48 1nn4 s PHE 79 Ca 0.11 1.27 -0.31 0.00 -0.60 0.00 0.00 56.93 57.39 1nn4 s PHE 79 Cb 0.14 -2.49 -0.07 0.00 0.51 0.00 0.00 43.02 41.11 1nn4 s PHE 79 CO 0.48 0.57 1.31 0.00 0.70 0.00 0.00 175.22 178.27 1nn4 s ALA 80 N -1.15 3.51 0.00 5.36 0.00 -1.26 -2.54 121.76 125.67 1nn4 s ALA 80 Ca 0.30 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1nn4 s ALA 80 Cb -0.19 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1nn4 s ALA 80 CO 0.19 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1nn4 n GLY 81 N 3.19 0.57 3.79 0.00 0.00 -1.26 -4.91 105.19 106.57 1nn4 n GLY 81 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.26 4.78 -0.30 -0.61 -1.09 -1.05 -4.87 121.20 115.80 1nn4 s ILE 82 Ca 0.00 -0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.07 1nn4 s ILE 82 Cb 0.00 -3.16 0.12 0.00 -1.58 0.00 0.00 42.46 37.83 1nn4 s ILE 82 CO 0.00 0.39 0.21 -0.13 -1.23 0.00 0.00 174.94 174.18 1nn4 s ARG 83 N -1.61 0.30 -0.14 2.79 0.52 -1.26 -4.82 118.95 114.72 1nn4 s ARG 83 Ca 0.22 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1nn4 s ARG 83 Cb -0.12 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 1nn4 s ARG 83 CO 0.12 -1.05 0.08 0.00 0.02 0.00 0.00 175.30 174.47 1nn4 s ALA 84 N 2.05 3.54 -0.12 2.13 0.00 -1.26 -1.81 121.76 126.29 1nn4 s ALA 84 Ca 0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1nn4 s ALA 84 Cb -0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1nn4 s ALA 84 CO -0.30 0.42 -0.09 0.54 0.00 0.00 0.00 175.76 176.33 1nn4 s VAL 85 N -0.38 3.49 -0.06 0.00 0.11 -0.07 -4.94 120.40 118.55 1nn4 s VAL 85 Ca 0.10 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 1nn4 s VAL 85 Cb -0.12 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.24 1nn4 s VAL 85 CO 0.02 0.53 -0.21 0.54 -3.33 0.00 0.00 175.10 172.65 1nn4 s VAL 86 N 0.02 2.41 0.28 2.04 0.11 -1.26 -0.86 120.40 123.14 1nn4 s VAL 86 Ca -0.02 -0.94 -0.19 0.00 -2.93 0.00 0.00 61.98 57.89 1nn4 s VAL 86 Cb -0.14 -1.91 0.06 0.00 -1.53 0.00 0.00 36.38 32.87 1nn4 s VAL 86 CO 0.03 0.57 0.88 0.00 -3.33 0.00 0.00 175.10 173.26 1nn4 n SER 88 N -1.16 0.83 -3.67 0.00 3.41 -1.26 -4.55 113.62 107.23 1nn4 n SER 88 Ca -0.06 -2.06 -0.13 0.00 -0.26 0.00 0.00 58.87 56.36 1nn4 n SER 88 Cb 0.60 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.84 0.91 0.24 4.33 4.04 -1.26 -4.97 118.70 121.14 1nn4 s GLU 89 Ca 0.08 -0.33 -0.05 0.00 0.04 0.00 0.00 54.97 54.70 1nn4 s GLU 89 Cb 0.07 0.40 0.36 0.00 0.02 0.00 0.00 34.13 34.98 1nn4 s GLU 89 CO 0.01 -0.31 1.81 -1.35 -1.84 0.00 0.00 175.26 173.58 1nn4 h PRO 90 N 3.07 0.75 -0.09 -4.83 0.11 -1.89 -3.28 132.00 125.85 1nn4 h PRO 90 Ca -0.31 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.79 1nn4 h PRO 90 Cb 1.20 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1nn4 h PRO 90 CO 0.43 0.50 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.63 1nn4 h TYR 91 N 0.78 -0.45 -0.37 0.65 3.20 -1.96 -0.26 116.97 118.56 1nn4 h TYR 91 Ca 0.38 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.28 1nn4 h TYR 91 Cb 0.32 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1nn4 h TYR 91 CO -0.07 -0.25 0.24 0.77 -1.64 0.00 0.00 178.16 177.22 1nn4 h SER 92 N -0.24 0.38 0.05 -2.11 0.02 -1.99 0.16 113.55 109.82 1nn4 h SER 92 Ca 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1nn4 h SER 92 Cb 0.36 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1nn4 h SER 92 CO -0.23 0.27 -0.02 0.00 -1.14 0.00 0.00 176.83 175.71 1nn4 h ALA 93 N 1.78 -0.06 -0.17 3.77 0.00 -1.50 -1.79 119.26 121.29 1nn4 h ALA 93 Ca 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nn4 h ALA 93 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nn4 h ALA 93 CO -0.03 -0.23 0.03 0.37 0.00 0.00 0.00 179.25 179.38 1nn4 h GLN 94 N -0.67 0.09 -0.13 0.00 4.15 -0.77 -2.46 115.11 115.32 1nn4 h GLN 94 Ca -0.01 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1nn4 h GLN 94 Cb 0.58 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1nn4 h GLN 94 CO 0.01 0.06 -0.23 1.25 -1.93 0.00 0.00 178.83 177.99 1nn4 h LEU 95 N 0.09 0.22 -1.70 -2.39 5.85 -1.05 -2.39 115.31 113.95 1nn4 h LEU 95 Ca 0.08 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1nn4 h LEU 95 Cb 0.08 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1nn4 h LEU 95 CO -0.11 0.46 -0.07 0.77 -0.34 0.00 0.00 178.44 179.15 1nn4 h SER 96 N 0.21 0.09 0.06 1.25 4.64 -0.84 0.39 113.55 119.34 1nn4 h SER 96 Ca 0.04 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1nn4 h SER 96 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1nn4 h SER 96 CO 0.04 0.18 -0.03 0.03 -0.87 0.00 0.00 176.83 176.18 1nn4 h ARG 97 N 0.10 -0.08 -0.47 4.77 2.47 -1.32 -0.24 114.38 119.62 1nn4 h ARG 97 Ca 0.02 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1nn4 h ARG 97 Cb 0.19 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.45 1nn4 h ARG 97 CO 0.01 0.41 -0.04 1.96 0.56 0.00 0.00 179.97 182.87 1nn4 h GLN 98 N -0.96 0.06 0.00 0.04 4.20 -1.17 0.51 115.11 117.80 1nn4 h GLN 98 Ca -0.01 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1nn4 h GLN 98 Cb 0.52 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1nn4 h GLN 98 CO 0.01 0.04 -1.89 0.72 -0.67 0.00 0.00 178.83 177.05 1nn4 n HIS 99 N -5.27 0.00 0.17 2.96 8.25 0.10 -0.63 115.22 120.81 1nn4 n HIS 99 Ca 0.04 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1nn4 n HIS 99 Cb 0.25 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.22 0.85 -3.83 0.41 3.02 -0.31 -4.84 115.26 108.34 1nn4 n ASN 100 Ca -0.08 -0.93 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 1nn4 n ASN 100 Cb 0.58 0.41 0.02 0.00 -0.61 0.00 0.00 39.78 40.17 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 -0.32 -3.16 -4.78 6.41 2.03 0.17 -4.90 116.55 112.02 1nn4 n ASP 101 Ca 0.02 -1.04 -0.37 0.00 0.52 0.00 0.00 54.79 53.91 1nn4 n ASP 101 Cb 0.08 -3.09 -0.04 0.00 -0.72 0.00 0.00 41.12 37.35 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 -3.67 3.64 -0.25 5.18 -4.23 -1.04 -4.88 115.64 110.39 1nn4 s THR 102 Ca 0.28 1.34 0.02 0.00 -1.18 0.00 0.00 61.69 62.16 1nn4 s THR 102 Cb -0.11 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.03 1nn4 s THR 102 CO 0.88 0.09 0.80 -0.46 -0.54 0.00 0.00 174.62 175.40 1nn4 n ASN 103 N 0.21 1.67 -3.79 3.99 0.23 -0.75 -4.83 115.26 111.99 1nn4 n ASN 103 Ca 0.04 -1.52 -0.13 0.00 -0.53 0.00 0.00 54.58 52.43 1nn4 n ASN 103 Cb 0.48 -0.02 -0.14 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.58 -0.03 0.02 3.53 1.01 -1.12 -0.75 120.40 122.49 1nn4 s VAL 104 Ca 0.04 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1nn4 s VAL 104 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1nn4 s VAL 104 CO 0.03 0.05 -0.24 -0.22 0.00 0.00 0.00 175.10 174.72 1nn4 s LEU 105 N 0.68 2.12 0.02 3.92 0.20 0.12 -0.89 118.68 124.85 1nn4 s LEU 105 Ca -0.05 -0.51 -0.09 0.00 0.69 0.00 0.00 54.13 54.17 1nn4 s LEU 105 Cb -0.07 -1.19 0.00 0.00 -0.43 0.00 0.00 46.19 44.50 1nn4 s LEU 105 CO -0.03 0.25 0.17 0.00 -0.29 0.00 0.00 176.35 176.45 1nn4 s ALA 106 N -0.71 -0.37 0.23 5.97 0.00 -0.04 -0.34 121.76 126.50 1nn4 s ALA 106 Ca 0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 1nn4 s ALA 106 Cb -0.09 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1nn4 s ALA 106 CO 0.01 -0.27 0.59 -0.59 0.00 0.00 0.00 175.76 175.49 1nn4 s PHE 107 N -1.87 -0.07 -0.21 0.00 -0.71 -1.10 -2.60 117.98 111.42 1nn4 s PHE 107 Ca -0.11 -0.31 -0.08 0.00 -1.04 0.00 0.00 56.93 55.40 1nn4 s PHE 107 Cb -0.05 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1nn4 s PHE 107 CO -0.00 -1.04 0.08 0.20 -1.34 0.00 0.00 175.22 173.11 1nn4 s GLY 108 N -2.91 1.88 0.48 1.99 0.00 -1.05 -3.30 107.32 104.42 1nn4 s GLY 108 Ca 0.12 -0.86 0.33 0.00 0.00 0.00 0.00 44.72 44.31 1nn4 s GLY 108 CO 0.02 0.21 1.99 1.48 0.00 0.00 0.00 173.10 176.80 1nn4 h SER 109 N 7.18 0.00 -0.00 1.64 4.64 -0.97 -0.95 113.55 125.09 1nn4 h SER 109 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nn4 h SER 109 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nn4 h SER 109 CO 0.66 0.00 -0.16 0.54 -0.87 0.00 0.00 176.83 177.00 1nn4 n ARG 110 N -2.75 1.79 -0.07 4.77 5.12 -0.17 -4.47 116.66 120.88 1nn4 n ARG 110 Ca -0.01 -1.40 -0.15 0.00 -1.93 0.00 0.00 57.85 54.37 1nn4 n ARG 110 Cb 0.16 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.62 0.76 -4.10 1.55 0.31 -0.59 -5.03 118.33 111.85 1nn4 n VAL 111 Ca 0.13 -0.20 -0.29 0.00 -0.01 0.00 0.00 64.34 63.97 1nn4 n VAL 111 Cb 0.51 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 1nn4 n VAL 111 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1nn4 s VAL 112 N -2.26 4.23 0.94 2.52 -7.23 -0.46 -5.05 120.40 113.09 1nn4 s VAL 112 Ca -0.19 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1nn4 s VAL 112 Cb 0.07 -3.06 0.19 0.00 0.56 0.00 0.00 36.38 34.14 1nn4 s VAL 112 CO 0.25 0.06 1.30 -0.83 -0.31 0.00 0.00 175.10 175.56 1nn4 s GLY 113 N -2.54 1.77 0.03 2.32 0.00 -1.26 -4.68 107.32 102.95 1nn4 s GLY 113 Ca 0.28 -1.20 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 1nn4 s GLY 113 CO 0.20 -0.45 1.42 -2.00 0.00 0.00 0.00 173.10 172.27 1nn4 h LEU 114 N -1.55 0.17 -0.68 0.66 5.85 -1.99 -1.89 115.31 115.88 1nn4 h LEU 114 Ca -0.44 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 57.92 1nn4 h LEU 114 Cb 1.24 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1nn4 h LEU 114 CO 0.40 0.49 0.43 -0.33 -0.34 0.00 0.00 178.44 179.09 1nn4 h GLU 115 N -0.16 0.91 -0.43 1.25 4.39 -1.99 0.12 114.58 118.66 1nn4 h GLU 115 Ca 0.02 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1nn4 h GLU 115 Cb 0.42 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1nn4 h GLU 115 CO 0.01 0.62 0.08 1.25 -1.16 0.00 0.00 179.01 179.81 1nn4 h LEU 116 N 0.92 0.68 -0.63 1.33 6.46 -1.95 -1.90 115.31 120.23 1nn4 h LEU 116 Ca 0.25 -0.25 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1nn4 h LEU 116 Cb -0.07 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.62 1nn4 h LEU 116 CO -0.05 0.76 0.31 0.00 -0.62 0.00 0.00 178.44 178.84 1nn4 h ALA 117 N 0.94 0.84 -0.47 1.25 0.00 -0.87 0.11 119.26 121.05 1nn4 h ALA 117 Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1nn4 h ALA 117 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nn4 h ALA 117 CO 0.01 -0.05 0.03 0.87 0.00 0.00 0.00 179.25 180.10 1nn4 h LYS 118 N 0.57 0.76 -0.15 0.00 1.57 -0.76 -0.02 116.57 118.54 1nn4 h LYS 118 Ca 0.30 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1nn4 h LYS 118 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1nn4 h LYS 118 CO -0.22 0.75 -0.45 1.98 -0.57 0.00 0.00 179.45 180.94 1nn4 h MET 119 N 0.72 0.36 -0.38 3.15 4.05 -0.48 -0.78 114.93 121.56 1nn4 h MET 119 Ca 0.15 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 1nn4 h MET 119 Cb 0.40 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1nn4 h MET 119 CO 0.01 0.74 -0.11 0.82 0.23 0.00 0.00 176.91 178.61 1nn4 h ILE 120 N 0.29 1.28 -0.48 1.77 2.04 -0.22 -1.96 117.51 120.23 1nn4 h ILE 120 Ca 0.02 -1.19 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 1nn4 h ILE 120 Cb 0.91 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1nn4 h ILE 120 CO 0.08 0.40 -0.17 -0.37 0.00 0.00 0.00 178.15 178.08 1nn4 h VAL 121 N 0.54 1.27 -0.08 1.67 -1.51 -0.82 -2.05 116.25 115.27 1nn4 h VAL 121 Ca 0.09 -1.32 0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1nn4 h VAL 121 Cb 0.63 1.08 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 1nn4 h VAL 121 CO 0.04 0.45 -0.09 0.44 -1.23 0.00 0.00 177.57 177.18 1nn4 h ASP 122 N 0.82 -0.28 -0.96 4.19 3.32 -1.02 0.14 116.42 122.63 1nn4 h ASP 122 Ca 0.12 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.30 1nn4 h ASP 122 Cb 0.72 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 1nn4 h ASP 122 CO 0.06 -0.13 0.62 0.00 -1.72 0.00 0.00 179.24 178.07 1nn4 h ALA 123 N 0.93 1.49 -0.02 3.45 0.00 -1.18 -0.75 119.26 123.18 1nn4 h ALA 123 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nn4 h ALA 123 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nn4 h ALA 123 CO -0.15 0.35 -0.15 2.35 0.00 0.00 0.00 179.25 181.64 1nn4 h TRP 124 N 1.06 0.19 -0.20 0.00 7.01 -0.79 -2.96 115.95 120.27 1nn4 h TRP 124 Ca 0.43 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1nn4 h TRP 124 Cb 0.26 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1nn4 h TRP 124 CO -0.00 0.82 0.12 -0.07 -2.79 0.00 0.00 178.44 176.53 1nn4 h LEU 125 N -0.49 0.23 -1.08 0.65 3.38 -0.51 -3.08 115.31 114.40 1nn4 h LEU 125 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nn4 h LEU 125 Cb 0.85 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1nn4 h LEU 125 CO 0.03 0.19 -0.07 1.23 0.09 0.00 0.00 178.44 179.92 1nn4 h GLY 126 N 0.25 0.00 -1.39 0.83 0.00 -1.27 -1.90 103.07 99.59 1nn4 h GLY 126 Ca 0.07 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.89 1nn4 h GLY 126 CO -0.01 0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.85 1nn4 s ALA 127 N -3.56 2.27 0.01 3.60 0.00 -1.12 -4.71 121.76 118.25 1nn4 s ALA 127 Ca 0.02 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1nn4 s ALA 127 Cb 0.08 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1nn4 s ALA 127 CO 0.59 -1.71 -0.05 -1.14 0.00 0.00 0.00 175.76 173.46 1nn4 s GLN 128 N -4.72 0.37 0.28 0.00 0.74 -1.26 -4.77 119.66 110.30 1nn4 s GLN 128 Ca 0.63 -0.30 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 1nn4 s GLN 128 Cb -0.18 -0.30 -0.10 0.00 1.10 0.00 0.00 33.01 33.53 1nn4 s GLN 128 CO 0.53 0.07 1.45 -0.47 -0.55 0.00 0.00 175.29 176.33 1nn4 s TYR 129 N -0.43 2.93 -1.18 1.67 5.04 -1.25 -3.77 117.35 120.36 1nn4 s TYR 129 Ca -0.02 1.06 0.24 0.00 -2.44 0.00 0.00 57.07 55.91 1nn4 s TYR 129 Cb -0.04 -3.86 0.23 0.00 0.35 0.00 0.00 41.96 38.64 1nn4 s TYR 129 CO -0.00 -2.74 1.22 0.39 -1.34 0.00 0.00 175.55 173.08 1nn4 n GLU 130 N 1.88 0.20 0.00 4.97 1.02 0.20 -4.95 120.64 123.97 1nn4 n GLU 130 Ca 0.05 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1nn4 n GLU 130 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.47 2.68 7.00 0.62 0.00 -1.26 -4.88 105.19 110.82 1nn4 n GLY 131 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 3.71 0.25 -0.02 0.00 -1.26 -2.39 105.19 105.48 1nn4 n GLY 132 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 0.11 -2.01 -2.98 114.38 111.10 1nn4 h ARG 133 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1nn4 h ARG 133 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1nn4 h ARG 133 CO 0.00 0.15 -0.24 0.45 0.10 0.00 0.00 179.97 180.43 1nn4 h HIS 134 N 0.00 0.00 -0.31 4.08 3.86 -1.80 -3.13 115.15 117.85 1nn4 h HIS 134 Ca -0.00 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1nn4 h HIS 134 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1nn4 h HIS 134 CO 0.00 0.24 0.22 1.96 0.86 0.00 0.00 177.93 181.21 1nn4 h GLN 135 N 0.00 0.10 -0.54 2.45 7.50 -1.66 -1.16 115.11 121.80 1nn4 h GLN 135 Ca -0.00 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 1nn4 h GLN 135 Cb 0.87 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.36 1nn4 h GLN 135 CO 0.03 0.07 -0.13 1.96 -1.50 0.00 0.00 178.83 179.26 1nn4 h GLN 136 N 0.10 1.04 -0.12 1.46 4.20 -1.75 0.54 115.11 120.59 1nn4 h GLN 136 Ca 0.14 -0.40 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 1nn4 h GLN 136 Cb 0.44 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1nn4 h GLN 136 CO -0.02 1.09 -0.11 0.00 -0.67 0.00 0.00 178.83 179.13 1nn4 h ARG 137 N 0.92 0.29 -0.38 1.46 -0.00 -1.41 -1.76 114.38 113.50 1nn4 h ARG 137 Ca 0.14 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 1nn4 h ARG 137 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.66 1nn4 h ARG 137 CO 0.05 0.68 -0.11 0.28 0.00 0.00 0.00 179.97 180.87 1nn4 h VAL 138 N -0.09 1.25 -0.58 2.04 2.07 -1.30 -1.52 116.25 118.12 1nn4 h VAL 138 Ca 0.02 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1nn4 h VAL 138 Cb 0.62 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1nn4 h VAL 138 CO 0.03 0.37 0.20 -0.08 0.02 0.00 0.00 177.57 178.11 1nn4 h GLU 139 N 0.61 0.87 -0.53 1.57 4.57 -0.85 -2.38 114.58 118.43 1nn4 h GLU 139 Ca 0.11 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1nn4 h GLU 139 Cb 0.55 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1nn4 h GLU 139 CO 0.03 0.74 -0.10 0.00 -1.18 0.00 0.00 179.01 178.50 1nn4 h ALA 140 N 1.37 0.73 -0.33 2.92 0.00 -0.59 -2.04 119.26 121.33 1nn4 h ALA 140 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nn4 h ALA 140 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nn4 h ALA 140 CO -0.01 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.70 1nn4 h ILE 141 N 0.87 1.19 0.00 0.00 2.04 -0.91 -1.13 117.51 119.57 1nn4 h ILE 141 Ca 0.14 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1nn4 h ILE 141 Cb 0.66 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1nn4 h ILE 141 CO 0.05 0.25 -0.28 0.74 0.00 0.00 0.00 178.15 178.91 1nn4 h THR 142 N 0.48 0.67 -0.24 -0.27 2.02 -1.07 -2.91 112.91 111.60 1nn4 h THR 142 Ca 0.11 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 65.90 1nn4 h THR 142 Cb 0.30 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1nn4 h THR 142 CO 0.01 0.27 -0.34 0.00 0.37 0.00 0.00 175.52 175.82 1nn4 h ALA 143 N 1.72 0.37 -0.72 6.16 0.00 -0.52 -3.19 119.26 123.07 1nn4 h ALA 143 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1nn4 h ALA 143 Cb 0.80 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1nn4 h ALA 143 CO 0.04 0.42 0.47 0.82 0.00 0.00 0.00 179.25 181.00 1nn4 h ILE 144 N 0.37 1.19 0.00 0.00 2.04 -1.30 -2.73 117.51 117.08 1nn4 h ILE 144 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1nn4 h ILE 144 Cb 0.93 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1nn4 h ILE 144 CO 0.08 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 1nn4 n GLU 145 N -4.57 0.00 0.00 2.37 1.02 -1.10 -5.14 120.64 113.22 1nn4 n GLU 145 Ca 0.07 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 1nn4 n GLU 145 Cb 0.02 -0.86 0.39 0.00 -0.02 0.00 0.00 31.44 30.97 1nn4 n GLU 145 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31