#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn2 s PRO 8 N 0.00 4.48 -0.07 1.61 0.04 -1.26 -5.17 135.00 134.63 2nn2 s PRO 8 Ca 0.00 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2nn2 s PRO 8 Cb 0.00 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2nn2 s PRO 8 CO 0.00 -0.04 -0.14 -1.50 0.04 0.00 0.00 177.00 175.36 2nn2 s ILE 9 N -0.85 1.28 -0.76 0.56 2.07 -1.26 -5.11 121.20 117.14 2nn2 s ILE 9 Ca 0.49 -0.57 -0.19 0.00 -1.41 0.00 0.00 60.65 58.97 2nn2 s ILE 9 Cb -0.36 -1.15 0.13 0.00 0.13 0.00 0.00 42.46 41.21 2nn2 s ILE 9 CO 0.45 0.39 0.90 -0.83 -1.91 0.00 0.00 174.94 173.93 2nn2 s GLY 10 N 0.57 1.92 -0.45 1.50 0.00 -1.26 -5.04 107.32 104.56 2nn2 s GLY 10 Ca -0.14 -2.55 -0.26 0.00 0.00 0.00 0.00 44.72 41.77 2nn2 s GLY 10 CO 0.04 1.74 0.95 -0.42 0.00 0.00 0.00 173.10 175.42 2nn2 s ILE 11 N 2.45 4.45 0.28 0.90 1.01 -1.26 -5.04 121.20 123.99 2nn2 s ILE 11 Ca 0.21 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.44 2nn2 s ILE 11 Cb -0.14 -4.45 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 2nn2 s ILE 11 CO -0.01 -0.82 1.06 -2.16 0.00 0.00 0.00 174.94 173.00 2nn2 s PRO 12 N 3.81 4.66 -0.52 2.79 0.04 -1.26 -5.03 135.00 139.49 2nn2 s PRO 12 Ca 0.39 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2nn2 s PRO 12 Cb -0.10 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.42 2nn2 s PRO 12 CO 0.26 0.26 0.30 -0.06 0.04 0.00 0.00 177.00 177.80 2nn2 s PHE 13 N -1.21 3.41 0.55 0.56 0.40 -1.26 -5.02 117.98 115.42 2nn2 s PHE 13 Ca 0.45 -2.85 0.31 0.00 -0.60 0.00 0.00 56.93 54.23 2nn2 s PHE 13 Cb -0.30 -3.05 1.79 0.00 0.51 0.00 0.00 43.02 41.97 2nn2 s PHE 13 CO 0.38 -0.84 2.22 -1.00 0.70 0.00 0.00 175.22 176.68 2nn2 h PRO 14 N 7.10 0.00 -0.24 0.24 0.13 -2.06 -2.29 132.00 134.88 2nn2 h PRO 14 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2nn2 h PRO 14 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2nn2 h PRO 14 CO 0.68 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 2nn2 n ASP 15 N -3.72 3.23 -0.11 1.44 8.00 -1.26 -4.62 116.55 119.51 2nn2 n ASP 15 Ca -0.03 -1.97 -0.06 0.00 0.71 0.00 0.00 54.79 53.44 2nn2 n ASP 15 Cb 0.12 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.09 2nn2 n ASP 15 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2nn2 h HIS 16 N 4.43 0.20 -0.62 1.24 -0.00 -1.85 -2.36 115.15 116.19 2nn2 h HIS 16 Ca 0.00 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.50 2nn2 h HIS 16 Cb 0.97 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.31 2nn2 h HIS 16 CO 0.15 0.07 0.42 0.66 -0.00 0.00 0.00 177.93 179.22 2nn2 h SER 17 N 0.26 0.33 0.41 3.26 4.64 -1.82 -0.64 113.55 119.99 2nn2 h SER 17 Ca 0.17 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.29 2nn2 h SER 17 Cb 0.17 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2nn2 h SER 17 CO -0.19 0.19 -0.90 0.28 -0.87 0.00 0.00 176.83 175.33 2nn2 h SER 18 N 0.36 0.44 -0.34 4.97 0.02 -1.77 -2.30 113.55 114.92 2nn2 h SER 18 Ca 0.29 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2nn2 h SER 18 Cb 0.65 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2nn2 h SER 18 CO -0.08 1.14 0.22 0.44 -1.14 0.00 0.00 176.83 177.41 2nn2 h ASP 19 N 0.19 0.38 -0.16 3.07 3.32 -0.74 -1.45 116.42 121.03 2nn2 h ASP 19 Ca -0.06 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2nn2 h ASP 19 Cb 1.53 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2nn2 h ASP 19 CO 0.15 0.27 0.08 0.40 -1.72 0.00 0.00 179.24 178.42 2nn2 h ILE 20 N 0.45 1.00 -0.85 0.35 1.08 -1.11 -2.12 117.51 116.30 2nn2 h ILE 20 Ca 0.12 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2nn2 h ILE 20 Cb -0.04 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2nn2 h ILE 20 CO -0.03 0.03 0.40 0.25 -0.69 0.00 0.00 178.15 178.11 2nn2 h LEU 21 N 0.17 1.12 -0.93 1.44 5.85 -1.41 -0.46 115.31 121.09 2nn2 h LEU 21 Ca 0.06 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2nn2 h LEU 21 Cb 0.01 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 2nn2 h LEU 21 CO -0.04 0.95 0.60 -1.28 -0.34 0.00 0.00 178.44 178.32 2nn2 h SER 22 N 1.22 1.00 -0.38 1.25 0.87 -1.12 0.43 113.55 116.81 2nn2 h SER 22 Ca 0.29 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2nn2 h SER 22 Cb 0.13 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2nn2 h SER 22 CO -0.04 0.68 -0.39 1.23 -0.53 0.00 0.00 176.83 177.79 2nn2 h GLY 23 N 1.16 1.02 1.13 5.77 0.00 -0.64 -1.95 103.07 109.57 2nn2 h GLY 23 Ca 0.37 -1.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2nn2 h GLY 23 CO -0.12 0.95 0.46 1.41 0.00 0.00 0.00 176.54 179.24 2nn2 h LEU 24 N 0.77 1.02 -0.54 3.11 3.38 -0.68 -1.55 115.31 120.82 2nn2 h LEU 24 Ca 0.06 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2nn2 h LEU 24 Cb 0.98 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2nn2 h LEU 24 CO 0.10 0.81 -0.19 -1.13 0.09 0.00 0.00 178.44 178.11 2nn2 h ASN 25 N 1.15 1.00 -0.80 -0.43 -1.24 -0.80 -1.45 115.58 113.02 2nn2 h ASN 25 Ca 0.29 -0.37 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 2nn2 h ASN 25 Cb 0.01 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 2nn2 h ASN 25 CO -0.05 1.16 0.47 -0.33 -1.29 0.00 0.00 177.43 177.39 2nn2 h GLU 26 N 0.86 1.09 -0.15 6.67 5.08 -1.09 -0.81 114.58 126.22 2nn2 h GLU 26 Ca 0.12 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2nn2 h GLU 26 Cb 0.76 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2nn2 h GLU 26 CO 0.06 0.77 0.04 1.96 -1.00 0.00 0.00 179.01 180.84 2nn2 h GLN 27 N 1.09 0.11 -0.61 2.33 4.20 -0.87 -2.53 115.11 118.83 2nn2 h GLN 27 Ca 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2nn2 h GLN 27 Cb -0.03 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2nn2 h GLN 27 CO -0.05 0.07 0.25 -0.09 -0.67 0.00 0.00 178.83 178.34 2nn2 h ARG 28 N 0.11 0.91 -0.38 1.46 2.43 -1.10 0.14 114.38 117.95 2nn2 h ARG 28 Ca 0.07 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2nn2 h ARG 28 Cb 0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2nn2 h ARG 28 CO -0.08 0.76 0.02 1.15 -1.51 0.00 0.00 179.97 180.32 2nn2 h THR 29 N 0.85 1.20 -0.00 0.20 2.02 -1.05 -2.90 112.91 113.22 2nn2 h THR 29 Ca 0.20 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2nn2 h THR 29 Cb 0.19 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2nn2 h THR 29 CO -0.02 0.28 -0.52 0.00 0.37 0.00 0.00 175.52 175.63 2nn2 n GLN 30 N -4.28 0.40 -2.20 6.66 6.02 -0.96 -4.98 117.38 118.04 2nn2 n GLN 30 Ca 0.02 -0.27 -0.07 0.00 -0.01 0.00 0.00 57.00 56.67 2nn2 n GLN 30 Cb 0.24 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 2nn2 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nn2 n GLY 31 N 1.44 0.12 3.62 1.08 0.00 -0.42 -5.04 105.19 106.00 2nn2 n GLY 31 Ca 0.08 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2nn2 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nn2 s LEU 32 N -2.06 3.46 -1.26 0.99 2.96 0.37 -4.51 118.68 118.63 2nn2 s LEU 32 Ca 0.02 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2nn2 s LEU 32 Cb -0.01 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2nn2 s LEU 32 CO 0.02 0.32 0.00 0.18 -1.32 0.00 0.00 176.35 175.55 2nn2 n LEU 33 N 2.55 -1.01 -4.73 -0.68 4.77 -1.26 -4.42 117.00 112.22 2nn2 n LEU 33 Ca -0.18 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 2nn2 n LEU 33 Cb 0.53 -2.02 -0.05 0.00 -2.33 0.00 0.00 43.42 39.55 2nn2 n LEU 33 CO 0.30 -0.49 0.36 0.00 -1.33 0.00 0.00 177.39 176.22 2nn2 n ASP 35 N 3.41 1.55 -3.90 0.00 5.68 -0.81 -4.90 116.55 117.58 2nn2 n ASP 35 Ca -0.03 -1.28 -0.11 0.00 -0.50 0.00 0.00 54.79 52.88 2nn2 n ASP 35 Cb 0.51 0.48 -0.10 0.00 -1.14 0.00 0.00 41.12 40.87 2nn2 n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nn2 s VAL 36 N -1.83 0.09 -0.14 2.12 0.11 -1.10 -4.87 120.40 114.79 2nn2 s VAL 36 Ca 0.12 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2nn2 s VAL 36 Cb 0.12 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.52 2nn2 s VAL 36 CO 0.39 -0.43 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.87 2nn2 s VAL 37 N -1.54 2.61 -0.14 2.04 1.01 0.07 -0.86 120.40 123.58 2nn2 s VAL 37 Ca -0.14 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 2nn2 s VAL 37 Cb -0.07 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2nn2 s VAL 37 CO 0.00 0.53 0.25 -0.63 0.00 0.00 0.00 175.10 175.25 2nn2 s ILE 38 N 0.61 5.33 -0.15 2.22 -1.09 -0.71 -0.99 121.20 126.42 2nn2 s ILE 38 Ca -0.09 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2nn2 s ILE 38 Cb -0.16 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2nn2 s ILE 38 CO 0.03 0.47 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.30 2nn2 s LEU 39 N -0.03 2.53 -0.05 2.97 1.43 0.12 -0.44 118.68 125.22 2nn2 s LEU 39 Ca 0.15 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2nn2 s LEU 39 Cb -0.13 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2nn2 s LEU 39 CO 0.04 0.10 0.10 0.54 0.23 0.00 0.00 176.35 177.36 2nn2 s VAL 40 N 0.72 -0.14 -1.34 -1.59 0.11 0.32 -0.63 120.40 117.85 2nn2 s VAL 40 Ca -0.07 0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 59.19 2nn2 s VAL 40 Cb -0.15 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2nn2 s VAL 40 CO 0.01 0.14 0.46 -0.62 -3.33 0.00 0.00 175.10 171.77 2nn2 n GLU 41 N 5.00 -1.50 -0.69 1.54 1.02 -1.26 0.02 120.64 124.77 2nn2 n GLU 41 Ca -0.10 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2nn2 n GLU 41 Cb 0.50 -3.68 0.00 0.00 -0.02 0.00 0.00 31.44 28.24 2nn2 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nn2 n GLY 42 N -2.10 0.23 3.79 0.62 0.00 -1.26 -4.97 105.19 101.50 2nn2 n GLY 42 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2nn2 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nn2 s ARG 43 N -0.88 3.91 -0.26 1.61 0.52 0.10 -5.08 118.95 118.88 2nn2 s ARG 43 Ca 0.00 -0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 2nn2 s ARG 43 Cb 0.00 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2nn2 s ARG 43 CO 0.00 0.49 0.18 -2.00 0.02 0.00 0.00 175.30 173.99 2nn2 s GLU 44 N -0.24 4.02 -0.44 3.54 2.12 -1.26 -0.52 118.70 125.92 2nn2 s GLU 44 Ca 0.13 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.21 2nn2 s GLU 44 Cb -0.12 -3.60 0.12 0.00 0.26 0.00 0.00 34.13 30.79 2nn2 s GLU 44 CO 0.03 -0.06 0.19 -0.06 -0.54 0.00 0.00 175.26 174.81 2nn2 s PHE 45 N 1.40 3.52 0.12 5.30 0.40 0.42 -4.99 117.98 124.15 2nn2 s PHE 45 Ca 0.08 -2.91 -0.31 0.00 -0.60 0.00 0.00 56.93 53.18 2nn2 s PHE 45 Cb -0.15 -2.99 -0.08 0.00 0.51 0.00 0.00 43.02 40.31 2nn2 s PHE 45 CO 0.08 -0.88 1.47 -2.14 0.70 0.00 0.00 175.22 174.44 2nn2 s PRO 46 N 0.48 4.27 0.23 0.24 0.02 -1.26 -1.74 135.00 137.25 2nn2 s PRO 46 Ca 0.13 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2nn2 s PRO 46 Cb -0.22 -3.28 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 2nn2 s PRO 46 CO -0.04 -0.53 0.30 -2.37 -0.33 0.00 0.00 177.00 174.02 2nn2 n THR 47 N 4.09 0.00 -4.65 0.99 5.66 -0.04 -4.82 114.28 115.51 2nn2 n THR 47 Ca 0.13 -1.29 -0.33 0.00 -3.05 0.00 0.00 64.05 59.51 2nn2 n THR 47 Cb 0.41 0.75 -0.15 0.00 -1.55 0.00 0.00 70.33 69.79 2nn2 n THR 47 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2nn2 s HIS 48 N -3.45 2.76 0.36 1.09 3.76 -1.26 -1.93 115.29 116.62 2nn2 s HIS 48 Ca 0.21 -0.99 0.09 0.00 -0.15 0.00 0.00 55.06 54.21 2nn2 s HIS 48 Cb -0.00 -1.86 0.69 0.00 1.11 0.00 0.00 32.58 32.52 2nn2 s HIS 48 CO 0.15 -0.43 1.86 0.07 -0.85 0.00 0.00 174.74 175.53 2nn2 h ARG 49 N 7.14 0.24 -0.34 1.40 0.11 -1.92 -1.78 114.38 119.23 2nn2 h ARG 49 Ca -0.30 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.70 2nn2 h ARG 49 Cb 1.20 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 2nn2 h ARG 49 CO 0.55 0.44 0.18 0.66 0.10 0.00 0.00 179.97 181.91 2nn2 h SER 50 N 0.23 0.43 -0.42 0.08 4.64 -1.99 -0.11 113.55 116.41 2nn2 h SER 50 Ca 0.04 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 2nn2 h SER 50 Cb 0.49 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2nn2 h SER 50 CO 0.03 0.40 -0.00 0.58 -0.87 0.00 0.00 176.83 176.97 2nn2 h VAL 51 N 0.43 1.26 -0.33 0.95 2.07 -1.90 -2.18 116.25 116.54 2nn2 h VAL 51 Ca 0.12 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2nn2 h VAL 51 Cb 0.07 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2nn2 h VAL 51 CO -0.02 0.35 0.20 -0.07 0.02 0.00 0.00 177.57 178.05 2nn2 h LEU 52 N 0.58 0.40 -1.30 2.57 3.38 -1.24 -2.27 115.31 117.43 2nn2 h LEU 52 Ca 0.12 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2nn2 h LEU 52 Cb 0.49 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2nn2 h LEU 52 CO 0.02 0.34 0.50 0.00 0.09 0.00 0.00 178.44 179.39 2nn2 h ALA 53 N 1.08 1.57 0.00 1.53 0.00 -1.03 0.26 119.26 122.67 2nn2 h ALA 53 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nn2 h ALA 53 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2nn2 h ALA 53 CO -0.02 0.34 -0.17 0.00 0.00 0.00 0.00 179.25 179.40 2nn2 h ALA 54 N 1.56 1.12 0.00 0.00 0.00 -1.21 -3.30 119.26 117.44 2nn2 h ALA 54 Ca 0.31 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.70 2nn2 h ALA 54 Cb 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2nn2 h ALA 54 CO -0.09 0.21 -2.39 0.00 0.00 0.00 0.00 179.25 176.97 2nn2 s SER 56 N -5.77 1.64 0.29 0.00 0.15 0.84 -4.71 113.70 106.15 2nn2 s SER 56 Ca -0.18 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.29 2nn2 s SER 56 Cb 0.07 -0.70 0.44 0.00 -1.71 0.00 0.00 66.02 64.12 2nn2 s SER 56 CO 0.74 -0.05 1.70 -0.61 1.20 0.00 0.00 173.24 176.22 2nn2 h GLN 57 N 7.45 0.29 0.34 5.44 5.75 -1.34 -1.73 115.11 131.32 2nn2 h GLN 57 Ca -0.32 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.04 2nn2 h GLN 57 Cb 1.16 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2nn2 h GLN 57 CO 0.44 0.64 -0.27 -0.92 -2.65 0.00 0.00 178.83 176.07 2nn2 h TYR 58 N 0.25 -0.72 -0.62 3.99 3.20 -1.66 -2.33 116.97 119.08 2nn2 h TYR 58 Ca 0.03 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2nn2 h TYR 58 Cb 0.79 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 2nn2 h TYR 58 CO 0.02 -0.40 0.37 0.74 -1.64 0.00 0.00 178.16 177.24 2nn2 h PHE 59 N -0.61 0.81 -0.42 -3.82 0.04 -1.76 -0.57 116.94 110.61 2nn2 h PHE 59 Ca -0.02 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.80 2nn2 h PHE 59 Cb 0.54 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 2nn2 h PHE 59 CO -0.14 0.54 0.16 -0.22 -0.60 0.00 0.00 178.31 178.05 2nn2 h LYS 60 N 0.85 0.33 -0.30 1.51 3.64 -1.17 -0.24 116.57 121.18 2nn2 h LYS 60 Ca 0.22 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2nn2 h LYS 60 Cb -0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2nn2 h LYS 60 CO -0.04 0.22 -0.11 0.87 -2.27 0.00 0.00 179.45 178.12 2nn2 h LYS 61 N 0.34 0.61 -0.32 1.90 1.57 -1.03 -2.05 116.57 117.58 2nn2 h LYS 61 Ca 0.19 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2nn2 h LYS 61 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2nn2 h LYS 61 CO -0.18 0.82 0.03 1.25 -0.57 0.00 0.00 179.45 180.80 2nn2 h LEU 62 N 0.37 -0.05 0.00 2.94 5.85 -0.92 -1.69 115.31 121.81 2nn2 h LEU 62 Ca 0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2nn2 h LEU 62 Cb 0.61 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2nn2 h LEU 62 CO 0.04 0.01 -0.08 0.49 -0.34 0.00 0.00 178.44 178.55 2nn2 n PHE 63 N -5.13 0.80 0.53 1.25 3.72 -0.12 -3.22 117.46 115.30 2nn2 n PHE 63 Ca 0.01 0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 2nn2 n PHE 63 Cb 0.15 -0.87 0.14 0.00 -0.94 0.00 0.00 39.48 37.97 2nn2 n PHE 63 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2nn2 n THR 64 N -2.17 0.28 -0.06 4.37 -2.24 -0.78 -5.09 114.28 108.59 2nn2 n THR 64 Ca 0.05 -0.64 -0.04 0.00 -2.27 0.00 0.00 64.05 61.16 2nn2 n THR 64 Cb 0.42 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 2nn2 n THR 64 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2nn2 h SER 65 N 3.99 0.00 -0.23 3.42 0.02 -1.28 -3.50 113.55 115.98 2nn2 h SER 65 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2nn2 h SER 65 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2nn2 h SER 65 CO 0.00 0.68 0.00 1.67 -1.14 0.00 0.00 176.83 178.04 2nn2 n GLN 72 N -4.69 1.42 0.00 3.45 0.00 -1.26 -5.14 117.38 111.16 2nn2 n GLN 72 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.02 2nn2 n GLN 72 Cb 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 30.24 30.21 2nn2 n GLN 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2nn2 n ASN 73 N 0.69 1.87 -4.02 1.69 3.02 -1.26 -4.94 115.26 112.31 2nn2 n ASN 73 Ca 0.00 -1.44 -0.26 0.00 -0.03 0.00 0.00 54.58 52.85 2nn2 n ASN 73 Cb 0.00 0.20 -0.17 0.00 -0.61 0.00 0.00 39.78 39.20 2nn2 n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2nn2 s VAL 74 N -1.39 1.25 -0.09 2.41 1.01 -1.26 -0.75 120.40 121.57 2nn2 s VAL 74 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2nn2 s VAL 74 Cb 0.11 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2nn2 s VAL 74 CO 0.25 0.39 -0.15 -0.31 0.00 0.00 0.00 175.10 175.27 2nn2 s TYR 75 N 0.88 1.85 -0.25 5.22 1.51 -0.16 -4.99 117.35 121.41 2nn2 s TYR 75 Ca -0.10 -0.78 -0.18 0.00 -1.01 0.00 0.00 57.07 55.01 2nn2 s TYR 75 Cb -0.15 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2nn2 s TYR 75 CO 0.01 -0.38 0.49 -2.00 -1.11 0.00 0.00 175.55 172.56 2nn2 s GLU 76 N 0.75 4.09 -0.39 -0.62 2.56 -1.26 0.16 118.70 123.99 2nn2 s GLU 76 Ca -0.12 0.30 -0.08 0.00 0.00 0.00 0.00 54.97 55.07 2nn2 s GLU 76 Cb -0.16 -3.63 0.06 0.00 2.00 0.00 0.00 34.13 32.40 2nn2 s GLU 76 CO 0.02 -0.29 0.20 0.42 -0.56 0.00 0.00 175.26 175.05 2nn2 s ILE 77 N 2.12 4.06 -0.98 -3.70 -1.09 0.20 -4.93 121.20 116.88 2nn2 s ILE 77 Ca 0.21 -1.31 0.21 0.00 -2.23 0.00 0.00 60.65 57.53 2nn2 s ILE 77 Cb -0.16 -3.42 -0.23 0.00 -1.58 0.00 0.00 42.46 37.07 2nn2 s ILE 77 CO 0.09 -0.39 0.90 -0.67 -1.23 0.00 0.00 174.94 173.64 2nn2 n ASP 78 N 4.87 0.97 -1.18 3.58 2.03 -1.26 -4.33 116.55 121.22 2nn2 n ASP 78 Ca -0.10 -0.97 0.11 0.00 0.52 0.00 0.00 54.79 54.34 2nn2 n ASP 78 Cb 0.44 1.01 0.28 0.00 -0.72 0.00 0.00 41.12 42.13 2nn2 n ASP 78 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2nn2 n PHE 79 N -1.52 0.81 -4.06 -0.67 1.16 -1.26 -4.86 117.46 107.07 2nn2 n PHE 79 Ca 0.04 -0.40 -0.12 0.00 -1.87 0.00 0.00 57.45 55.09 2nn2 n PHE 79 Cb 0.34 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.09 2nn2 n PHE 79 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2nn2 s VAL 80 N -1.19 0.48 0.57 1.97 -7.23 -1.26 -4.87 120.40 108.88 2nn2 s VAL 80 Ca 0.43 -1.12 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 2nn2 s VAL 80 Cb 0.23 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 2nn2 s VAL 80 CO 0.30 -0.44 1.01 -0.94 -0.31 0.00 0.00 175.10 174.72 2nn2 s SER 81 N -1.67 6.39 0.29 4.85 1.04 -1.26 -4.89 113.70 118.45 2nn2 s SER 81 Ca -0.09 1.47 0.01 0.00 0.48 0.00 0.00 55.95 57.82 2nn2 s SER 81 Cb -0.09 -2.48 0.53 0.00 0.10 0.00 0.00 66.02 64.08 2nn2 s SER 81 CO -0.00 -0.75 1.88 0.00 0.98 0.00 0.00 173.24 175.34 2nn2 h ALA 82 N 0.19 1.51 -0.18 5.32 0.00 -1.94 -0.21 119.26 123.95 2nn2 h ALA 82 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2nn2 h ALA 82 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2nn2 h ALA 82 CO 0.62 0.30 0.10 1.49 0.00 0.00 0.00 179.25 181.76 2nn2 h GLU 83 N 1.03 0.26 -0.30 0.00 4.81 -1.97 -0.88 114.58 117.52 2nn2 h GLU 83 Ca 0.44 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 2nn2 h GLU 83 Cb 0.33 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2nn2 h GLU 83 CO -0.20 0.25 0.02 0.00 -0.73 0.00 0.00 179.01 178.36 2nn2 h ALA 84 N 0.99 0.40 -0.70 2.92 0.00 -1.82 -2.61 119.26 118.45 2nn2 h ALA 84 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2nn2 h ALA 84 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2nn2 h ALA 84 CO -0.01 0.13 0.37 1.25 0.00 0.00 0.00 179.25 180.99 2nn2 h LEU 85 N 0.32 0.88 -0.33 0.00 5.85 -0.92 -1.48 115.31 119.63 2nn2 h LEU 85 Ca 0.09 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2nn2 h LEU 85 Cb 0.40 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2nn2 h LEU 85 CO 0.01 0.73 -0.11 0.74 -0.34 0.00 0.00 178.44 179.48 2nn2 h THR 86 N 0.96 0.62 -0.76 1.05 2.02 -1.15 0.26 112.91 115.90 2nn2 h THR 86 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 2nn2 h THR 86 Cb 0.06 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2nn2 h THR 86 CO -0.04 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.24 2nn2 h ALA 87 N 1.27 1.24 0.06 6.16 0.00 -1.05 -2.04 119.26 124.89 2nn2 h ALA 87 Ca 0.16 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2nn2 h ALA 87 Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2nn2 h ALA 87 CO -0.36 0.59 -1.06 -0.07 0.00 0.00 0.00 179.25 178.35 2nn2 h LEU 88 N 1.08 0.40 -0.28 0.00 3.38 -0.89 -1.74 115.31 117.25 2nn2 h LEU 88 Ca 0.27 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2nn2 h LEU 88 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2nn2 h LEU 88 CO -0.04 1.23 0.01 0.24 0.09 0.00 0.00 178.44 179.96 2nn2 h MET 89 N 0.12 0.50 -0.29 1.13 2.86 -0.82 -0.98 114.93 117.45 2nn2 h MET 89 Ca -0.09 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2nn2 h MET 89 Cb 1.74 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 33.31 2nn2 h MET 89 CO 0.17 0.65 -0.01 -0.44 1.06 0.00 0.00 176.91 178.34 2nn2 h ASP 90 N 0.29 -0.15 -0.35 1.22 5.19 -1.38 -2.38 116.42 118.86 2nn2 h ASP 90 Ca 0.08 0.07 0.07 0.00 -0.62 0.00 0.00 57.03 56.64 2nn2 h ASP 90 Cb 0.42 0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.97 2nn2 h ASP 90 CO 0.01 -0.04 -0.32 0.15 -3.12 0.00 0.00 179.24 175.93 2nn2 h PHE 91 N 0.07 -0.87 -0.99 4.55 3.57 -1.21 0.11 116.94 122.17 2nn2 h PHE 91 Ca 0.14 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2nn2 h PHE 91 Cb 0.19 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2nn2 h PHE 91 CO -0.23 -0.38 0.63 0.00 -2.23 0.00 0.00 178.31 176.10 2nn2 h ALA 92 N 0.72 1.41 0.00 2.41 0.00 -0.79 0.14 119.26 123.16 2nn2 h ALA 92 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2nn2 h ALA 92 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2nn2 h ALA 92 CO -0.50 0.35 -0.87 0.66 0.00 0.00 0.00 179.25 178.89 2nn2 n TYR 93 N -4.56 0.36 0.01 0.00 4.01 -0.93 -4.56 117.16 111.48 2nn2 n TYR 93 Ca 0.16 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 2nn2 n TYR 93 Cb 0.24 -0.51 -0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2nn2 n TYR 93 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2nn2 n THR 94 N -2.00 0.00 -0.92 -0.72 -2.24 0.38 -4.62 114.28 104.17 2nn2 n THR 94 Ca 0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2nn2 n THR 94 Cb 0.43 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2nn2 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nn2 n ALA 95 N -1.24 0.00 -3.02 6.98 0.00 0.46 -5.03 120.51 118.67 2nn2 n ALA 95 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2nn2 n ALA 95 Cb 0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.86 2nn2 n ALA 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2nn2 s THR 96 N -2.29 1.80 -0.22 0.00 2.01 -1.26 -5.05 115.64 110.62 2nn2 s THR 96 Ca 0.00 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 2nn2 s THR 96 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2nn2 s THR 96 CO 0.00 0.50 0.08 -0.22 -0.69 0.00 0.00 174.62 174.29 2nn2 s LEU 97 N 0.14 3.69 -0.23 4.42 2.96 -1.26 -3.50 118.68 124.90 2nn2 s LEU 97 Ca -0.10 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2nn2 s LEU 97 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2nn2 s LEU 97 CO 0.05 0.07 0.11 -0.89 -1.32 0.00 0.00 176.35 174.36 2nn2 s THR 98 N 1.01 4.82 0.18 3.68 2.01 -1.26 -5.08 115.64 120.99 2nn2 s THR 98 Ca 0.04 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.06 2nn2 s THR 98 Cb -0.14 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 2nn2 s THR 98 CO 0.03 0.36 -0.03 0.68 -0.69 0.00 0.00 174.62 174.97 2nn2 s VAL 99 N 1.18 0.88 0.25 3.82 -7.23 -1.26 -4.92 120.40 113.11 2nn2 s VAL 99 Ca 0.06 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2nn2 s VAL 99 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2nn2 s VAL 99 CO 0.04 -0.52 0.01 -0.94 -0.31 0.00 0.00 175.10 173.39 2nn2 s SER 100 N -3.20 1.88 0.30 4.85 1.04 -1.26 -5.03 113.70 112.27 2nn2 s SER 100 Ca 0.23 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 2nn2 s SER 100 Cb 0.05 0.00 0.63 0.00 0.10 0.00 0.00 66.02 66.81 2nn2 s SER 100 CO 0.04 -0.54 1.55 0.35 0.98 0.00 0.00 173.24 175.62 2nn2 n THR 101 N -0.46 -0.42 0.32 2.02 -2.24 -1.26 -2.05 114.28 110.20 2nn2 n THR 101 Ca -0.04 2.21 0.14 0.00 -2.27 0.00 0.00 64.05 64.10 2nn2 n THR 101 Cb 0.64 -3.16 0.48 0.00 -2.10 0.00 0.00 70.33 66.19 2nn2 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nn2 h ALA 102 N 1.98 1.00 0.00 6.98 0.00 -2.05 -3.35 119.26 123.82 2nn2 h ALA 102 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2nn2 h ALA 102 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2nn2 h ALA 102 CO -0.97 0.00 0.00 0.27 0.00 0.00 0.00 179.25 178.55 2nn2 n ASN 103 N -2.86 1.39 -0.01 0.00 0.23 -0.97 -4.86 115.26 108.18 2nn2 n ASN 103 Ca 0.02 -1.64 -0.12 0.00 -0.53 0.00 0.00 54.58 52.32 2nn2 n ASN 103 Cb 0.37 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.08 2nn2 n ASN 103 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2nn2 h VAL 104 N 0.67 1.31 -0.18 3.53 2.07 -1.55 -1.81 116.25 120.30 2nn2 h VAL 104 Ca 0.00 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.54 2nn2 h VAL 104 Cb 0.55 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2nn2 h VAL 104 CO 0.00 0.58 -0.39 1.23 0.02 0.00 0.00 177.57 179.01 2nn2 h GLY 105 N 0.94 0.43 0.92 2.17 0.00 -1.88 0.09 103.07 105.74 2nn2 h GLY 105 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2nn2 h GLY 105 CO 0.12 0.37 0.11 -1.80 0.00 0.00 0.00 176.54 175.34 2nn2 h ASP 106 N 0.33 0.54 -0.17 0.19 3.58 -1.88 -0.30 116.42 118.71 2nn2 h ASP 106 Ca 0.03 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 57.17 2nn2 h ASP 106 Cb 0.84 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2nn2 h ASP 106 CO 0.07 0.60 -0.23 0.40 -2.88 0.00 0.00 179.24 177.20 2nn2 h ILE 107 N 0.44 1.27 -0.49 2.25 2.04 -1.23 -2.22 117.51 119.56 2nn2 h ILE 107 Ca 0.12 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 2nn2 h ILE 107 Cb 0.26 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2nn2 h ILE 107 CO -0.00 0.42 0.06 0.25 0.00 0.00 0.00 178.15 178.87 2nn2 h LEU 108 N 0.54 0.81 -0.24 1.44 5.85 -0.86 -0.78 115.31 122.07 2nn2 h LEU 108 Ca 0.08 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 2nn2 h LEU 108 Cb 0.69 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2nn2 h LEU 108 CO 0.05 0.88 -0.27 0.28 -0.34 0.00 0.00 178.44 179.04 2nn2 h SER 109 N 0.70 0.66 -0.74 1.25 0.02 -1.03 -2.55 113.55 111.86 2nn2 h SER 109 Ca 0.15 -0.49 0.08 0.00 -0.84 0.00 0.00 61.79 60.69 2nn2 h SER 109 Cb 0.43 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2nn2 h SER 109 CO 0.01 1.01 0.41 0.00 -1.14 0.00 0.00 176.83 177.13 2nn2 h ALA 110 N 0.67 1.02 -0.25 3.77 0.00 -1.33 -2.29 119.26 120.85 2nn2 h ALA 110 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2nn2 h ALA 110 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2nn2 h ALA 110 CO 0.07 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.28 2nn2 h ALA 111 N 1.40 1.36 -0.42 0.00 0.00 -1.05 -0.04 119.26 120.51 2nn2 h ALA 111 Ca 0.35 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2nn2 h ALA 111 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nn2 h ALA 111 CO -0.22 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.28 2nn2 h ARG 112 N 0.38 0.87 -0.02 0.00 2.47 -1.21 0.59 114.38 117.46 2nn2 h ARG 112 Ca 0.07 -0.38 -0.20 0.00 -1.26 0.00 0.00 59.98 58.22 2nn2 h ARG 112 Cb 0.42 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2nn2 h ARG 112 CO 0.02 1.02 -0.83 -0.07 0.56 0.00 0.00 179.97 180.67 2nn2 h LEU 113 N 0.69 0.38 -0.28 3.04 3.38 -1.12 -3.07 115.31 118.34 2nn2 h LEU 113 Ca 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2nn2 h LEU 113 Cb 0.75 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2nn2 h LEU 113 CO 0.06 1.05 -0.13 0.18 0.09 0.00 0.00 178.44 179.69 2nn2 n LEU 114 N -3.75 0.56 -3.24 1.67 4.77 -0.05 -4.76 117.00 112.19 2nn2 n LEU 114 Ca -0.04 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 2nn2 n LEU 114 Cb 0.77 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.75 2nn2 n LEU 114 CO 0.48 0.10 0.07 -0.62 -1.33 0.00 0.00 177.39 176.10 2nn2 n GLU 115 N -0.90 -2.06 -3.82 3.23 1.02 -0.48 -2.19 120.64 115.44 2nn2 n GLU 115 Ca 0.14 0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 57.92 2nn2 n GLU 115 Cb 0.29 -5.74 -0.10 0.00 -0.02 0.00 0.00 31.44 25.87 2nn2 n GLU 115 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2nn2 s ILE 116 N -3.33 3.34 0.41 -3.67 1.01 0.08 -2.04 121.20 117.01 2nn2 s ILE 116 Ca 0.39 -4.06 0.08 0.00 0.00 0.00 0.00 60.65 57.06 2nn2 s ILE 116 Cb -0.06 -3.16 0.28 0.00 0.01 0.00 0.00 42.46 39.53 2nn2 s ILE 116 CO 0.75 -1.01 2.05 -0.65 0.00 0.00 0.00 174.94 176.07 2nn2 h PRO 117 N 5.70 0.51 -0.49 2.79 0.11 -1.90 -2.41 132.00 136.32 2nn2 h PRO 117 Ca 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2nn2 h PRO 117 Cb 0.79 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2nn2 h PRO 117 CO 0.76 0.34 0.05 0.00 -0.21 0.00 0.00 178.00 178.94 2nn2 h ALA 118 N 1.74 1.16 0.08 -0.75 0.00 -1.96 -2.53 119.26 116.99 2nn2 h ALA 118 Ca 0.17 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2nn2 h ALA 118 Cb 0.04 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.65 2nn2 h ALA 118 CO -0.04 0.55 -1.08 0.28 0.00 0.00 0.00 179.25 178.96 2nn2 h VAL 119 N 0.75 1.32 -0.28 0.00 2.07 -1.84 -3.25 116.25 115.02 2nn2 h VAL 119 Ca 0.15 -2.37 -0.08 0.00 0.82 0.00 0.00 66.70 65.23 2nn2 h VAL 119 Cb 0.39 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2nn2 h VAL 119 CO 0.01 0.71 -0.16 0.77 0.02 0.00 0.00 177.57 178.93 2nn2 h SER 120 N 0.19 0.48 -0.05 0.57 4.64 -1.45 -1.66 113.55 116.28 2nn2 h SER 120 Ca -0.16 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2nn2 h SER 120 Cb 1.77 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2nn2 h SER 120 CO 0.21 0.66 -0.02 -0.74 -0.87 0.00 0.00 176.83 176.07 2nn2 h HIS 121 N 0.45 -0.04 -0.44 4.77 6.17 -1.53 0.25 115.15 124.78 2nn2 h HIS 121 Ca 0.08 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.12 2nn2 h HIS 121 Cb 0.54 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.48 2nn2 h HIS 121 CO 0.02 -0.03 0.11 -0.39 0.71 0.00 0.00 177.93 178.34 2nn2 h VAL 122 N -0.01 1.23 -0.53 5.26 -1.51 -1.55 -2.93 116.25 116.21 2nn2 h VAL 122 Ca 0.03 -0.82 -0.11 0.00 -1.23 0.00 0.00 66.70 64.56 2nn2 h VAL 122 Cb 0.05 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 2nn2 h VAL 122 CO -0.06 0.29 -0.12 0.00 -1.23 0.00 0.00 177.57 176.45 2nn2 h ALA 124 N 0.96 0.86 -0.54 0.00 0.00 -0.92 -0.41 119.26 119.21 2nn2 h ALA 124 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2nn2 h ALA 124 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2nn2 h ALA 124 CO 0.05 0.18 -0.07 -0.44 0.00 0.00 0.00 179.25 178.96 2nn2 h ASP 125 N 0.81 1.00 -0.06 0.00 3.32 -1.37 0.94 116.42 121.05 2nn2 h ASP 125 Ca 0.26 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2nn2 h ASP 125 Cb 0.01 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2nn2 h ASP 125 CO -0.10 1.10 0.04 0.25 -1.72 0.00 0.00 179.24 178.81 2nn2 h LEU 126 N 0.88 0.07 0.07 1.55 5.85 -1.17 -2.43 115.31 120.13 2nn2 h LEU 126 Ca 0.14 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2nn2 h LEU 126 Cb 0.63 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2nn2 h LEU 126 CO 0.04 0.05 -0.03 0.25 -0.34 0.00 0.00 178.44 178.41 2nn2 h LEU 127 N 0.08 -0.08 -1.50 2.25 5.85 -0.90 -3.09 115.31 117.92 2nn2 h LEU 127 Ca 0.02 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2nn2 h LEU 127 Cb -0.01 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2nn2 h LEU 127 CO -0.00 -0.01 0.47 -0.78 -0.34 0.00 0.00 178.44 177.77 2nn2 h ASP 128 N -0.15 0.50 0.00 1.25 1.82 -0.80 -3.51 116.42 115.52 2nn2 h ASP 128 Ca -0.01 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2nn2 h ASP 128 Cb 0.12 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2nn2 h ASP 128 CO 0.02 0.29 0.00 0.54 -1.61 0.00 0.00 179.24 178.48