#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nph s GLN 2 N 0.00 0.74 -0.15 0.54 0.74 -1.26 -5.08 119.66 115.19 2nph s GLN 2 Ca 0.00 0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.46 2nph s GLN 2 Cb 0.00 0.35 0.05 0.00 1.10 0.00 0.00 33.01 34.50 2nph s GLN 2 CO 0.00 -0.23 0.37 0.54 -0.55 0.00 0.00 175.29 175.42 2nph s VAL 3 N -1.22 -0.01 0.64 1.34 0.11 -1.26 -5.17 120.40 114.83 2nph s VAL 3 Ca -0.04 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2nph s VAL 3 Cb -0.00 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2nph s VAL 3 CO 0.03 0.02 0.91 0.42 -3.33 0.00 0.00 175.10 173.16 2nph s THR 4 N 0.79 2.43 -0.22 5.04 -4.23 -1.26 -5.04 115.64 113.15 2nph s THR 4 Ca -0.05 -0.47 0.14 0.00 -1.18 0.00 0.00 61.69 60.13 2nph s THR 4 Cb -0.06 -2.97 0.50 0.00 1.34 0.00 0.00 72.50 71.31 2nph s THR 4 CO -0.06 0.00 1.41 0.18 -0.54 0.00 0.00 174.62 175.62 2nph n LEU 5 N -2.67 3.83 0.29 4.79 4.77 -1.26 -4.54 117.00 122.21 2nph n LEU 5 Ca 0.09 -3.32 0.18 0.00 -0.03 0.00 0.00 56.01 52.93 2nph n LEU 5 Cb 0.60 -0.57 0.79 0.00 -2.33 0.00 0.00 43.42 41.91 2nph n LEU 5 CO 0.48 0.90 1.02 -0.50 -1.33 0.00 0.00 177.39 177.97 2nph h TRP 6 N 1.31 0.00 -3.65 -1.77 4.06 -2.07 -3.43 115.95 110.40 2nph h TRP 6 Ca 0.09 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.73 2nph h TRP 6 Cb 1.49 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.50 2nph h TRP 6 CO 0.65 0.02 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.24 2nph s GLN 7 N -3.80 1.14 0.24 0.49 -1.52 -1.26 -5.11 119.66 109.84 2nph s GLN 7 Ca -0.00 -1.54 -0.31 0.00 -1.95 0.00 0.00 55.36 51.55 2nph s GLN 7 Cb 0.10 -0.37 -0.12 0.00 -0.22 0.00 0.00 33.01 32.41 2nph s GLN 7 CO 0.52 -0.10 1.65 0.54 -0.25 0.00 0.00 175.29 177.65 2nph n ARG 8 N -0.26 2.67 -2.09 2.91 1.74 -1.26 -4.86 116.66 115.51 2nph n ARG 8 Ca -0.07 0.96 -0.39 0.00 -0.77 0.00 0.00 57.85 57.58 2nph n ARG 8 Cb 0.63 -2.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 2nph n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nph n PRO 9 N 3.09 2.50 -3.36 5.56 -0.04 -1.26 -4.94 135.00 136.55 2nph n PRO 9 Ca 0.13 -2.75 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 2nph n PRO 9 Cb 0.35 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 2nph n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nph s LEU 10 N 5.12 4.50 0.09 1.53 1.43 -1.26 -0.72 118.68 129.38 2nph s LEU 10 Ca 0.57 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2nph s LEU 10 Cb 0.06 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2nph s LEU 10 CO 0.07 0.29 -0.05 0.68 0.23 0.00 0.00 176.35 177.56 2nph s VAL 11 N -1.05 0.58 -0.09 -1.59 -7.23 0.76 -4.95 120.40 106.82 2nph s VAL 11 Ca 0.27 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 2nph s VAL 11 Cb -0.18 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2nph s VAL 11 CO 0.17 -0.86 0.46 -0.89 -0.31 0.00 0.00 175.10 173.67 2nph s THR 12 N -3.70 5.14 0.15 5.32 2.01 -1.26 -0.17 115.64 123.14 2nph s THR 12 Ca 0.12 0.93 0.09 0.00 0.31 0.00 0.00 61.69 63.14 2nph s THR 12 Cb 0.06 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2nph s THR 12 CO -0.05 0.38 -0.20 0.27 -0.69 0.00 0.00 174.62 174.33 2nph s ILE 13 N 0.24 1.92 -0.11 1.82 -4.36 0.27 -1.19 121.20 119.78 2nph s ILE 13 Ca 0.25 -1.84 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2nph s ILE 13 Cb -0.16 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.72 2nph s ILE 13 CO 0.11 -0.20 -0.21 -0.75 0.24 0.00 0.00 174.94 174.13 2nph s LYS 14 N -2.53 2.80 -0.19 0.37 2.20 -0.48 -0.54 119.74 121.37 2nph s LYS 14 Ca 0.14 -0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 54.83 2nph s LYS 14 Cb -0.07 -2.21 0.05 0.00 -1.51 0.00 0.00 37.83 34.09 2nph s LYS 14 CO 0.07 0.06 0.48 -1.50 -0.36 0.00 0.00 175.35 174.10 2nph s ILE 15 N 0.63 -0.01 -1.46 5.43 2.07 -0.27 -1.15 121.20 126.44 2nph s ILE 15 Ca -0.13 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 2nph s ILE 15 Cb -0.16 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.75 2nph s ILE 15 CO 0.03 0.01 0.28 0.61 -1.91 0.00 0.00 174.94 173.96 2nph n GLY 16 N 3.46 -0.51 3.06 1.50 0.00 -1.26 -0.83 105.19 110.61 2nph n GLY 16 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2nph n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nph n GLY 17 N -1.16 0.69 3.63 -0.02 0.00 -1.26 -4.98 105.19 102.09 2nph n GLY 17 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2nph n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nph s GLN 18 N -0.29 2.40 -0.17 1.61 -0.21 -0.01 -5.11 119.66 117.88 2nph s GLN 18 Ca 0.00 -0.88 -0.11 0.00 0.02 0.00 0.00 55.36 54.39 2nph s GLN 18 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 2nph s GLN 18 CO 0.00 0.54 0.18 -0.51 -2.12 0.00 0.00 175.29 173.38 2nph s LEU 19 N -2.10 4.26 0.13 2.90 1.43 -1.26 -1.11 118.68 122.92 2nph s LEU 19 Ca 0.22 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2nph s LEU 19 Cb -0.11 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2nph s LEU 19 CO 0.15 0.20 0.10 -0.54 0.23 0.00 0.00 176.35 176.49 2nph s LYS 20 N 0.12 0.97 -0.02 1.70 1.02 0.30 -4.99 119.74 118.84 2nph s LYS 20 Ca 0.12 -1.37 -0.00 0.00 0.02 0.00 0.00 55.97 54.73 2nph s LYS 20 Cb -0.12 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2nph s LYS 20 CO 0.01 -0.29 0.05 -1.21 -0.92 0.00 0.00 175.35 172.99 2nph s GLU 21 N -4.03 2.99 0.05 1.68 0.41 -1.26 -0.57 118.70 117.97 2nph s GLU 21 Ca 0.22 -0.50 -0.07 0.00 -0.41 0.00 0.00 54.97 54.21 2nph s GLU 21 Cb 0.07 -2.81 -0.01 0.00 -1.78 0.00 0.00 34.13 29.60 2nph s GLU 21 CO 0.01 0.65 0.14 0.00 -0.49 0.00 0.00 175.26 175.57 2nph s ALA 22 N -1.12 -0.17 -0.14 5.21 0.00 0.77 -4.52 121.76 121.79 2nph s ALA 22 Ca 0.20 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 2nph s ALA 22 Cb -0.12 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2nph s ALA 22 CO 0.11 -0.37 0.37 -1.17 0.00 0.00 0.00 175.76 174.70 2nph s LEU 23 N -2.27 4.26 -0.23 0.00 2.96 0.06 -0.17 118.68 123.29 2nph s LEU 23 Ca -0.03 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2nph s LEU 23 Cb 0.00 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2nph s LEU 23 CO -0.06 0.06 1.10 -0.76 -1.32 0.00 0.00 176.35 175.38 2nph s LEU 24 N 0.51 4.09 -0.32 -0.68 1.43 0.10 -0.39 118.68 123.41 2nph s LEU 24 Ca 0.20 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2nph s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 2nph s LEU 24 CO 0.07 -0.73 0.09 -0.62 0.23 0.00 0.00 176.35 175.38 2nph s ASP 25 N 1.49 4.19 0.24 2.29 3.68 -0.31 -4.77 116.67 123.48 2nph s ASP 25 Ca 0.47 -1.78 0.22 0.00 2.13 0.00 0.00 52.55 53.59 2nph s ASP 25 Cb -0.16 -1.04 0.95 0.00 -1.45 0.00 0.00 42.92 41.22 2nph s ASP 25 CO 0.10 -0.40 1.67 0.35 0.13 0.00 0.00 175.17 177.01 2nph n THR 26 N 4.68 0.88 1.48 1.71 -2.24 -1.26 -1.60 114.28 117.94 2nph n THR 26 Ca -0.00 0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.20 2nph n THR 26 Cb 0.42 -1.21 0.56 0.00 -2.10 0.00 0.00 70.33 68.00 2nph n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nph n GLY 27 N -0.15 -0.46 3.64 3.38 0.00 -1.26 -4.83 105.19 105.50 2nph n GLY 27 Ca 0.02 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2nph n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nph s ALA 28 N -2.21 3.51 0.14 4.61 0.00 -0.63 -4.96 121.76 122.23 2nph s ALA 28 Ca 0.34 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.35 2nph s ALA 28 Cb 0.21 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2nph s ALA 28 CO 0.41 -0.08 1.43 -0.44 0.00 0.00 0.00 175.76 177.07 2nph h ASP 29 N 7.27 0.90 -2.04 0.00 3.32 -1.88 0.13 116.42 124.13 2nph h ASP 29 Ca -0.38 -0.49 -0.60 0.00 0.02 0.00 0.00 57.03 55.59 2nph h ASP 29 Cb 1.17 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 40.34 2nph h ASP 29 CO 0.67 1.27 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.98 2nph s ASP 30 N -6.95 3.97 -0.16 6.45 1.01 -1.26 -2.58 116.67 117.14 2nph s ASP 30 Ca -0.10 -1.01 -0.16 0.00 0.71 0.00 0.00 52.55 52.00 2nph s ASP 30 Cb 0.10 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2nph s ASP 30 CO 0.88 -0.13 0.39 -0.89 0.21 0.00 0.00 175.17 175.63 2nph s THR 31 N -2.51 5.23 -0.06 -1.27 2.01 -1.26 -3.66 115.64 114.12 2nph s THR 31 Ca 0.33 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 63.05 2nph s THR 31 Cb -0.02 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.80 2nph s THR 31 CO 0.18 0.32 -0.01 0.54 -0.69 0.00 0.00 174.62 174.96 2nph s VAL 32 N 0.80 0.38 0.10 3.82 0.11 -0.55 -0.88 120.40 124.19 2nph s VAL 32 Ca 0.20 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.38 2nph s VAL 32 Cb -0.14 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2nph s VAL 32 CO 0.07 0.23 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.25 2nph s LEU 33 N 1.57 3.18 1.12 2.54 1.43 0.78 -0.73 118.68 128.56 2nph s LEU 33 Ca -0.01 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2nph s LEU 33 Cb -0.13 -1.94 0.26 0.00 0.03 0.00 0.00 46.19 44.40 2nph s LEU 33 CO -0.03 0.17 1.05 -1.61 0.23 0.00 0.00 176.35 176.16 2nph s GLU 34 N -2.28 -0.57 0.15 1.70 2.02 -1.26 -1.57 118.70 116.89 2nph s GLU 34 Ca 0.23 1.04 -0.34 0.00 0.02 0.00 0.00 54.97 55.91 2nph s GLU 34 Cb -0.11 -1.58 -0.15 0.00 0.10 0.00 0.00 34.13 32.39 2nph s GLU 34 CO 0.15 -3.55 1.48 -1.91 0.02 0.00 0.00 175.26 171.45 2nph n GLU 35 N -4.82 1.81 -3.83 1.61 4.07 -1.23 -4.54 120.64 113.71 2nph n GLU 35 Ca 0.05 0.65 -0.08 0.00 -0.06 0.00 0.00 57.16 57.72 2nph n GLU 35 Cb 0.54 -2.36 -0.03 0.00 -0.06 0.00 0.00 31.44 29.53 2nph n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nph s MET 36 N 0.62 1.68 -0.32 5.31 0.23 -1.26 -5.05 119.30 120.50 2nph s MET 36 Ca 0.79 -0.97 -0.21 0.00 -1.03 0.00 0.00 55.69 54.28 2nph s MET 36 Cb -0.76 0.58 -0.00 0.00 -1.53 0.00 0.00 34.83 33.12 2nph s MET 36 CO 0.42 -0.76 0.67 0.45 -2.03 0.00 0.00 175.02 173.77 2nph s SER 37 N -2.91 6.51 -0.10 -1.18 0.15 -1.26 -5.03 113.70 109.88 2nph s SER 37 Ca 0.11 0.38 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 2nph s SER 37 Cb -0.04 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2nph s SER 37 CO 0.05 -0.55 -0.00 -0.22 1.20 0.00 0.00 173.24 173.72 2nph s LEU 38 N 2.73 0.74 1.24 3.45 2.96 -1.26 -4.86 118.68 123.69 2nph s LEU 38 Ca 0.27 -0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 53.78 2nph s LEU 38 Cb -0.15 -0.51 0.31 0.00 0.50 0.00 0.00 46.19 46.35 2nph s LEU 38 CO 0.13 -0.21 1.01 -2.16 -1.32 0.00 0.00 176.35 173.80 2nph s PRO 39 N 1.93 -1.55 0.00 0.98 0.04 -1.26 -4.93 135.00 130.21 2nph s PRO 39 Ca 0.04 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2nph s PRO 39 Cb -0.13 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2nph s PRO 39 CO -0.06 -4.04 0.00 0.41 0.04 0.00 0.00 177.00 173.35 2nph n GLY 40 N 0.63 -0.25 3.98 0.56 0.00 -1.26 -5.01 105.19 103.85 2nph n GLY 40 Ca 0.07 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.04 2nph n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nph s ARG 41 N -1.22 2.98 0.25 1.61 3.52 -1.26 -5.12 118.95 119.71 2nph s ARG 41 Ca 0.00 -0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 2nph s ARG 41 Cb 0.00 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2nph s ARG 41 CO 0.00 -0.17 0.30 1.67 -0.81 0.00 0.00 175.30 176.29 2nph s TRP 42 N -2.37 0.99 -0.02 5.12 1.48 -1.26 -4.71 118.94 118.17 2nph s TRP 42 Ca 0.49 -1.22 0.03 0.00 -1.06 0.00 0.00 56.10 54.34 2nph s TRP 42 Cb -0.10 -0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 31.92 2nph s TRP 42 CO 0.34 -0.85 -0.11 0.15 -4.06 0.00 0.00 176.95 172.42 2nph s LYS 43 N -3.85 1.05 0.80 3.25 1.02 -0.88 -4.92 119.74 116.21 2nph s LYS 43 Ca 0.33 -0.36 -0.14 0.00 0.02 0.00 0.00 55.97 55.82 2nph s LYS 43 Cb 0.03 -0.98 0.05 0.00 -0.52 0.00 0.00 37.83 36.41 2nph s LYS 43 CO 0.14 0.16 0.97 -2.30 -0.92 0.00 0.00 175.35 173.40 2nph n PRO 44 N 3.17 0.20 -3.57 -1.68 -0.02 -1.26 -1.11 135.00 130.73 2nph n PRO 44 Ca -0.17 0.13 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2nph n PRO 44 Cb 0.54 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2nph n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nph s LYS 45 N -3.72 0.54 -0.01 -0.52 2.20 -0.91 -4.77 119.74 112.54 2nph s LYS 45 Ca 0.70 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2nph s LYS 45 Cb -0.30 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 2nph s LYS 45 CO 0.54 -0.24 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.58 2nph s MET 46 N -2.72 0.66 0.15 4.03 -1.94 -1.26 -1.29 119.30 116.93 2nph s MET 46 Ca 0.08 -0.22 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 2nph s MET 46 Cb -0.01 -0.64 -0.04 0.00 2.01 0.00 0.00 34.83 36.15 2nph s MET 46 CO -0.06 0.10 -0.17 0.96 -0.01 0.00 0.00 175.02 175.84 2nph s ILE 47 N 0.09 1.65 0.45 2.53 -4.36 -1.06 -5.00 121.20 115.51 2nph s ILE 47 Ca -0.01 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2nph s ILE 47 Cb -0.06 -1.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 2nph s ILE 47 CO -0.00 -0.33 0.02 -0.83 0.24 0.00 0.00 174.94 174.04 2nph s GLY 48 N -2.54 2.70 0.00 6.27 0.00 -1.26 -2.09 107.32 110.40 2nph s GLY 48 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2nph s GLY 48 CO 0.05 -2.13 0.00 0.61 0.00 0.00 0.00 173.10 171.63 2nph n GLY 49 N -1.10 1.46 3.72 0.20 0.00 -0.74 -5.00 105.19 103.73 2nph n GLY 49 Ca -0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2nph n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nph s ILE 50 N -2.35 4.11 0.00 -0.61 1.01 -1.26 -3.32 121.20 118.77 2nph s ILE 50 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.20 2nph s ILE 50 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2nph s ILE 50 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2nph n GLY 51 N 3.00 2.84 0.00 6.18 0.00 -1.26 -4.95 105.19 111.00 2nph n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2nph n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nph n GLY 52 N -1.49 0.52 3.17 -0.02 0.00 -1.21 -5.12 105.19 101.05 2nph n GLY 52 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 2nph n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nph s PHE 53 N -3.53 0.90 0.09 1.61 -0.12 -1.26 -1.79 117.98 113.88 2nph s PHE 53 Ca 0.00 -0.98 0.03 0.00 -0.05 0.00 0.00 56.93 55.93 2nph s PHE 53 Cb 0.00 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 2nph s PHE 53 CO 0.00 -0.23 -0.10 0.96 -0.05 0.00 0.00 175.22 175.81 2nph s ILE 54 N -3.71 0.89 -0.06 -4.49 -4.36 -0.89 -5.02 121.20 103.56 2nph s ILE 54 Ca 0.14 -1.58 -0.14 0.00 -0.26 0.00 0.00 60.65 58.81 2nph s ILE 54 Cb 0.06 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 2nph s ILE 54 CO -0.03 -0.55 0.35 -0.75 0.24 0.00 0.00 174.94 174.20 2nph s LYS 55 N -2.69 3.94 0.17 0.37 2.36 -1.26 -2.55 119.74 120.07 2nph s LYS 55 Ca 0.04 0.28 0.01 0.00 -2.55 0.00 0.00 55.97 53.75 2nph s LYS 55 Cb -0.03 -3.27 -0.04 0.00 -1.05 0.00 0.00 37.83 33.43 2nph s LYS 55 CO -0.00 0.58 0.02 0.14 1.55 0.00 0.00 175.35 177.64 2nph s VAL 56 N -0.65 0.50 -0.18 4.02 -7.23 -0.41 -4.28 120.40 112.16 2nph s VAL 56 Ca 0.21 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.33 2nph s VAL 56 Cb -0.15 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2nph s VAL 56 CO 0.10 -0.44 0.13 -0.13 -0.31 0.00 0.00 175.10 174.45 2nph s ARG 57 N -3.96 4.04 -0.29 4.82 0.52 0.07 -2.14 118.95 122.01 2nph s ARG 57 Ca 0.25 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.15 2nph s ARG 57 Cb 0.07 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2nph s ARG 57 CO 0.04 0.40 0.18 -1.14 0.02 0.00 0.00 175.30 174.80 2nph s GLN 58 N 0.08 3.80 -0.16 3.54 0.74 -0.26 -0.78 119.66 126.61 2nph s GLN 58 Ca 0.09 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 2nph s GLN 58 Cb -0.11 -3.64 -0.01 0.00 1.10 0.00 0.00 33.01 30.35 2nph s GLN 58 CO -0.01 -0.24 -0.11 0.71 -0.55 0.00 0.00 175.29 175.09 2nph s TYR 59 N 1.73 2.85 0.33 1.67 1.51 0.03 -2.08 117.35 123.39 2nph s TYR 59 Ca 0.07 -0.82 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 2nph s TYR 59 Cb -0.16 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2nph s TYR 59 CO 0.10 -0.36 0.42 -0.51 -1.11 0.00 0.00 175.55 174.09 2nph s ASP 60 N 0.74 5.82 -1.50 2.29 1.01 -1.26 -0.32 116.67 123.44 2nph s ASP 60 Ca -0.05 -0.25 -0.09 0.00 0.71 0.00 0.00 52.55 52.87 2nph s ASP 60 Cb -0.15 -1.19 0.06 0.00 1.01 0.00 0.00 42.92 42.66 2nph s ASP 60 CO 0.02 -0.40 0.70 0.00 0.21 0.00 0.00 175.17 175.70 2nph n GLN 61 N -1.57 -4.08 -3.52 8.23 6.02 -1.21 -4.90 117.38 116.36 2nph n GLN 61 Ca -0.01 0.48 -0.37 0.00 -0.01 0.00 0.00 57.00 57.09 2nph n GLN 61 Cb 0.58 -5.02 -0.07 0.00 1.02 0.00 0.00 30.24 26.75 2nph n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nph s ILE 62 N -3.57 5.28 0.05 5.09 -1.09 0.02 -4.78 121.20 122.20 2nph s ILE 62 Ca 0.37 0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 59.12 2nph s ILE 62 Cb -0.19 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 2nph s ILE 62 CO 0.87 0.40 0.83 -0.22 -1.23 0.00 0.00 174.94 175.60 2nph s LEU 63 N 0.31 4.45 -0.01 2.97 2.96 -1.26 -1.42 118.68 126.68 2nph s LEU 63 Ca 0.18 1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 55.62 2nph s LEU 63 Cb -0.13 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2nph s LEU 63 CO 0.05 -0.04 0.03 -0.51 -1.32 0.00 0.00 176.35 174.57 2nph s ILE 64 N 0.09 0.02 -0.19 6.68 2.07 0.46 -4.40 121.20 125.93 2nph s ILE 64 Ca 0.42 -0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 59.48 2nph s ILE 64 Cb -0.21 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 2nph s ILE 64 CO 0.25 -0.08 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.55 2nph s GLU 65 N -0.22 3.49 -0.29 3.50 2.02 -0.30 -0.78 118.70 126.12 2nph s GLU 65 Ca -0.03 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.32 2nph s GLU 65 Cb -0.02 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.27 2nph s GLU 65 CO -0.00 -0.02 0.04 0.42 0.02 0.00 0.00 175.26 175.72 2nph s ILE 66 N 1.02 3.59 -1.67 -1.63 1.01 0.20 -1.39 121.20 122.35 2nph s ILE 66 Ca 0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2nph s ILE 66 Cb -0.15 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.57 2nph s ILE 66 CO 0.00 0.08 0.52 0.00 0.00 0.00 0.00 174.94 175.55 2nph n GLY 68 N -1.65 2.81 3.71 0.00 0.00 -1.26 -5.05 105.19 103.75 2nph n GLY 68 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2nph n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nph s HIS 69 N -2.37 3.42 0.33 1.61 4.02 0.22 -5.05 115.29 117.48 2nph s HIS 69 Ca 0.00 0.49 -0.22 0.00 1.02 0.00 0.00 55.06 56.36 2nph s HIS 69 Cb 0.00 -2.32 -0.10 0.00 -1.02 0.00 0.00 32.58 29.14 2nph s HIS 69 CO 0.00 0.19 0.87 0.15 1.02 0.00 0.00 174.74 176.97 2nph s LYS 70 N 0.65 4.34 -0.03 1.40 1.02 -1.26 0.63 119.74 126.49 2nph s LYS 70 Ca 0.14 1.09 -0.23 0.00 0.02 0.00 0.00 55.97 56.99 2nph s LYS 70 Cb -0.13 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2nph s LYS 70 CO 0.03 0.20 0.49 0.00 -0.92 0.00 0.00 175.35 175.15 2nph s ALA 71 N -1.81 -1.27 -0.09 5.17 0.00 0.04 -4.83 121.76 118.97 2nph s ALA 71 Ca 0.53 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.30 2nph s ALA 71 Cb -0.14 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2nph s ALA 71 CO 0.19 -0.33 -0.15 0.42 0.00 0.00 0.00 175.76 175.89 2nph s ILE 72 N -1.35 1.46 0.02 0.00 1.01 -1.26 -0.40 121.20 120.67 2nph s ILE 72 Ca -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 2nph s ILE 72 Cb -0.02 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2nph s ILE 72 CO 0.06 0.43 0.18 0.61 0.00 0.00 0.00 174.94 176.22 2nph n GLY 73 N 4.00 0.95 3.77 6.18 0.00 -0.51 -4.86 105.19 114.71 2nph n GLY 73 Ca -0.20 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2nph n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nph s THR 74 N -2.35 4.19 -0.04 2.61 2.01 -1.26 -0.80 115.64 120.00 2nph s THR 74 Ca 0.04 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2nph s THR 74 Cb -0.00 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2nph s THR 74 CO 0.00 0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.54 2nph s VAL 75 N -1.33 0.79 0.02 3.82 1.01 0.56 -4.54 120.40 120.72 2nph s VAL 75 Ca 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2nph s VAL 75 Cb -0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2nph s VAL 75 CO 0.28 0.27 0.16 -0.76 0.00 0.00 0.00 175.10 175.05 2nph s LEU 76 N 0.57 4.23 -0.07 3.92 1.43 -0.06 -0.79 118.68 127.92 2nph s LEU 76 Ca -0.09 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2nph s LEU 76 Cb -0.13 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2nph s LEU 76 CO 0.01 0.23 -0.06 -0.69 0.23 0.00 0.00 176.35 176.08 2nph s VAL 77 N -1.36 0.72 0.00 -1.59 1.01 0.04 -0.16 120.40 119.07 2nph s VAL 77 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2nph s VAL 77 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2nph s VAL 77 CO 0.21 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2nph n GLY 78 N 4.44 0.61 2.15 4.51 0.00 -0.61 -0.75 105.19 115.55 2nph n GLY 78 Ca -0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 2nph n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nph n PRO 79 N 0.00 1.08 -3.03 1.61 -0.04 -1.26 -3.50 135.00 129.86 2nph n PRO 79 Ca 0.00 -0.50 -0.37 0.00 -0.04 0.00 0.00 63.50 62.58 2nph n PRO 79 Cb 0.00 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 2nph n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nph s THR 80 N 1.72 4.46 0.47 0.52 -1.32 -1.26 -4.97 115.64 115.26 2nph s THR 80 Ca 0.34 1.49 0.16 0.00 -1.21 0.00 0.00 61.69 62.46 2nph s THR 80 Cb 0.16 -3.97 0.21 0.00 -1.51 0.00 0.00 72.50 67.39 2nph s THR 80 CO 0.00 0.32 2.04 1.55 -2.21 0.00 0.00 174.62 176.31 2nph h PRO 81 N 3.73 0.00 -3.56 7.08 0.13 -1.98 -3.42 132.00 133.98 2nph h PRO 81 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2nph h PRO 81 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2nph h PRO 81 CO 0.65 0.14 -0.36 0.54 -0.23 0.00 0.00 178.00 178.74 2nph s VAL 82 N -4.71 0.11 0.06 1.56 0.11 -1.26 -5.03 120.40 111.24 2nph s VAL 82 Ca -0.04 -0.91 -0.31 0.00 -2.93 0.00 0.00 61.98 57.79 2nph s VAL 82 Cb 0.16 -1.01 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2nph s VAL 82 CO 0.68 -0.50 1.34 0.20 -3.33 0.00 0.00 175.10 173.49 2nph s ASN 83 N -2.25 6.91 -0.09 3.54 0.01 -1.26 -4.62 114.94 117.17 2nph s ASN 83 Ca -0.03 2.16 0.03 0.00 -0.71 0.00 0.00 52.86 54.32 2nph s ASN 83 Cb 0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2nph s ASN 83 CO -0.05 -0.62 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.07 2nph s ILE 84 N 1.52 1.83 -0.28 0.60 1.01 0.09 -0.76 121.20 125.21 2nph s ILE 84 Ca 0.63 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2nph s ILE 84 Cb -0.33 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2nph s ILE 84 CO 0.29 0.51 0.15 -0.63 0.00 0.00 0.00 174.94 175.25 2nph s ILE 85 N 0.46 4.91 0.57 2.92 -1.09 0.47 -1.48 121.20 127.96 2nph s ILE 85 Ca -0.17 -0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.32 2nph s ILE 85 Cb -0.17 -3.35 0.08 0.00 -1.58 0.00 0.00 42.46 37.44 2nph s ILE 85 CO 0.07 0.25 0.78 -0.83 -1.23 0.00 0.00 174.94 173.98 2nph s GLY 86 N 1.70 1.75 0.55 6.18 0.00 -1.24 -1.16 107.32 115.09 2nph s GLY 86 Ca 0.07 -2.10 0.23 0.00 0.00 0.00 0.00 44.72 42.92 2nph s GLY 86 CO 0.08 -1.65 2.13 3.21 0.00 0.00 0.00 173.10 176.87 2nph h ARG 87 N 0.18 0.00 -0.38 2.90 3.08 -0.72 -0.10 114.38 119.34 2nph h ARG 87 Ca -0.31 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.82 2nph h ARG 87 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 2nph h ARG 87 CO 0.41 0.00 0.26 -2.95 -1.07 0.00 0.00 179.97 176.62 2nph h ASN 88 N 0.00 0.14 0.00 7.04 -1.07 -1.75 -1.42 115.58 118.52 2nph h ASN 88 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.18 2nph h ASN 88 Cb 0.29 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.46 2nph h ASN 88 CO -0.00 0.09 -2.15 0.18 0.07 0.00 0.00 177.43 175.62 2nph n LEU 89 N -4.46 0.00 -0.13 6.14 4.77 -0.43 -4.48 117.00 118.41 2nph n LEU 89 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2nph n LEU 89 Cb 0.34 0.35 0.34 0.00 -2.33 0.00 0.00 43.42 42.11 2nph n LEU 89 CO 0.35 0.35 1.21 -0.07 -1.33 0.00 0.00 177.39 177.89 2nph h LEU 90 N 0.00 0.67 -1.31 2.23 3.38 -0.40 -1.31 115.31 118.57 2nph h LEU 90 Ca -0.38 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2nph h LEU 90 Cb 1.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2nph h LEU 90 CO 0.02 0.48 -0.34 0.71 0.09 0.00 0.00 178.44 179.39 2nph h THR 91 N 0.79 1.25 0.00 0.22 1.35 -1.51 -1.80 112.91 113.21 2nph h THR 91 Ca 0.23 -1.18 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 2nph h THR 91 Cb -0.02 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 2nph h THR 91 CO -0.06 0.34 -0.29 1.56 -0.25 0.00 0.00 175.52 176.82 2nph h GLN 92 N 0.00 0.00 -0.58 4.72 4.20 -1.46 -2.09 115.11 119.89 2nph h GLN 92 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2nph h GLN 92 Cb 0.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2nph h GLN 92 CO 0.04 0.29 0.05 0.44 -0.67 0.00 0.00 178.83 178.98 2nph n ILE 93 N -3.59 2.78 -3.33 2.54 -5.35 -1.01 -4.92 119.36 106.48 2nph n ILE 93 Ca -0.01 -1.50 -0.24 0.00 -0.27 0.00 0.00 62.75 60.74 2nph n ILE 93 Cb 0.42 -0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.06 2nph n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nph n GLY 94 N 0.39 -0.51 3.67 3.28 0.00 -0.79 -4.91 105.19 106.33 2nph n GLY 94 Ca 0.30 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 2nph n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2nph s MET 95 N -6.01 4.28 0.16 1.61 1.75 -0.71 -5.00 119.30 115.38 2nph s MET 95 Ca 0.42 1.73 0.09 0.00 -1.25 0.00 0.00 55.69 56.68 2nph s MET 95 Cb -0.20 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 2nph s MET 95 CO 0.52 -0.60 -0.19 0.95 -0.65 0.00 0.00 175.02 175.06 2nph s THR 96 N 2.90 1.83 -0.24 10.11 -4.23 -1.26 -4.67 115.64 120.07 2nph s THR 96 Ca 0.57 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2nph s THR 96 Cb -0.25 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2nph s THR 96 CO 0.20 -0.29 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.72 2nph s LEU 97 N -2.61 3.15 0.09 4.79 2.96 -1.26 -5.08 118.68 120.73 2nph s LEU 97 Ca 0.15 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.40 2nph s LEU 97 Cb -0.06 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2nph s LEU 97 CO 0.06 -0.11 -0.23 0.20 -1.32 0.00 0.00 176.35 174.96 2nph s ASN 98 N 1.37 2.81 0.00 3.68 0.02 -1.26 -5.30 114.94 116.27 2nph s ASN 98 Ca 0.02 -0.66 0.00 0.00 -1.02 0.00 0.00 52.86 51.20 2nph s ASN 98 Cb -0.16 -0.19 0.00 0.00 0.02 0.00 0.00 41.25 40.92 2nph s ASN 98 CO -0.04 0.14 0.00 2.22 0.02 0.00 0.00 177.10 179.44