#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3d s GLN 2 N 0.00 2.46 -0.34 0.54 0.74 -1.26 -5.09 119.66 116.71 2p3d s GLN 2 Ca 0.00 -1.20 -0.12 0.00 0.05 0.00 0.00 55.36 54.09 2p3d s GLN 2 Cb 0.00 -2.81 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2p3d s GLN 2 CO 0.00 -0.47 0.21 0.42 -0.55 0.00 0.00 175.29 174.90 2p3d s ILE 3 N 1.16 4.98 0.77 -2.34 1.01 -1.26 -5.08 121.20 120.44 2p3d s ILE 3 Ca -0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 2p3d s ILE 3 Cb -0.18 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.75 2p3d s ILE 3 CO -0.07 -0.03 1.11 0.42 0.00 0.00 0.00 174.94 176.37 2p3d s THR 4 N 1.67 3.10 -0.21 2.92 -4.23 -1.26 -4.98 115.64 112.64 2p3d s THR 4 Ca 0.05 0.36 0.16 0.00 -1.18 0.00 0.00 61.69 61.08 2p3d s THR 4 Cb -0.18 -3.23 0.55 0.00 1.34 0.00 0.00 72.50 70.99 2p3d s THR 4 CO 0.09 -0.47 1.45 0.18 -0.54 0.00 0.00 174.62 175.33 2p3d n LEU 5 N -3.26 4.04 -0.14 4.79 4.77 -1.26 -4.47 117.00 121.47 2p3d n LEU 5 Ca 0.07 -2.98 -0.01 0.00 -0.03 0.00 0.00 56.01 53.06 2p3d n LEU 5 Cb 0.57 -0.55 0.24 0.00 -2.33 0.00 0.00 43.42 41.35 2p3d n LEU 5 CO 0.57 0.67 1.09 -0.50 -1.33 0.00 0.00 177.39 177.89 2p3d h TRP 6 N 2.03 0.83 -1.05 -1.77 4.06 -2.05 -3.43 115.95 114.57 2p3d h TRP 6 Ca 0.00 -0.03 -0.62 0.00 2.06 0.00 0.00 58.89 60.29 2p3d h TRP 6 Cb 1.48 -0.26 -0.11 0.00 -1.00 0.00 0.00 29.16 29.27 2p3d h TRP 6 CO 0.55 0.62 -0.50 0.21 -3.56 0.00 0.00 178.44 175.75 2p3d s LYS 7 N -5.45 2.15 0.22 0.49 2.47 -1.26 -5.09 119.74 113.27 2p3d s LYS 7 Ca -0.10 -2.12 -0.31 0.00 -1.56 0.00 0.00 55.97 51.87 2p3d s LYS 7 Cb 0.16 -1.76 -0.11 0.00 -1.46 0.00 0.00 37.83 34.66 2p3d s LYS 7 CO 0.78 -0.25 1.65 1.03 0.16 0.00 0.00 175.35 178.72 2p3d s ARG 8 N -3.90 4.15 -1.23 4.03 0.52 -1.26 -4.85 118.95 116.41 2p3d s ARG 8 Ca 0.27 2.54 -0.15 0.00 -0.52 0.00 0.00 55.73 57.87 2p3d s ARG 8 Cb 0.04 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2p3d s ARG 8 CO 0.15 -0.68 2.24 -0.35 0.02 0.00 0.00 175.30 176.67 2p3d n PRO 9 N 3.51 2.50 -2.79 3.54 -0.04 -1.26 -4.94 135.00 135.53 2p3d n PRO 9 Ca 0.13 -2.20 -0.40 0.00 -0.04 0.00 0.00 63.50 61.00 2p3d n PRO 9 Cb 0.37 -3.02 -0.06 0.00 -0.04 0.00 0.00 33.50 30.75 2p3d n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2p3d s ILE 10 N 3.59 4.21 0.11 0.52 -1.09 -1.26 -1.51 121.20 125.77 2p3d s ILE 10 Ca 0.53 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 60.97 2p3d s ILE 10 Cb 0.14 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2p3d s ILE 10 CO -0.02 0.47 -0.07 0.68 -1.23 0.00 0.00 174.94 174.77 2p3d s VAL 11 N -0.96 0.78 0.04 2.92 -7.23 0.24 -4.94 120.40 111.25 2p3d s VAL 11 Ca 0.41 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2p3d s VAL 11 Cb -0.25 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 2p3d s VAL 11 CO 0.30 -0.85 1.15 -0.89 -0.31 0.00 0.00 175.10 174.50 2p3d s THR 12 N -3.57 4.24 0.20 5.32 2.01 -1.26 -0.18 115.64 122.40 2p3d s THR 12 Ca 0.13 1.61 0.09 0.00 0.31 0.00 0.00 61.69 63.82 2p3d s THR 12 Cb 0.05 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2p3d s THR 12 CO -0.04 0.11 -0.17 0.27 -0.69 0.00 0.00 174.62 174.10 2p3d s ILE 13 N 1.15 1.91 -0.19 1.82 -4.36 0.32 -0.27 121.20 121.58 2p3d s ILE 13 Ca 0.57 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2p3d s ILE 13 Cb -0.27 -1.99 0.05 0.00 1.25 0.00 0.00 42.46 41.50 2p3d s ILE 13 CO 0.28 -0.41 -0.06 -0.75 0.24 0.00 0.00 174.94 174.25 2p3d s LYS 14 N -3.17 1.53 -0.28 0.37 2.47 0.46 -0.55 119.74 120.58 2p3d s LYS 14 Ca 0.20 -0.69 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 2p3d s LYS 14 Cb -0.04 -2.23 0.08 0.00 -1.46 0.00 0.00 37.83 34.18 2p3d s LYS 14 CO 0.08 -0.49 0.01 0.08 0.16 0.00 0.00 175.35 175.20 2p3d s VAL 15 N 1.55 1.47 -0.87 4.02 1.01 0.30 -0.40 120.40 127.47 2p3d s VAL 15 Ca -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.43 2p3d s VAL 15 Cb -0.16 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2p3d s VAL 15 CO -0.07 -0.37 0.73 -0.62 0.00 0.00 0.00 175.10 174.77 2p3d n GLU 16 N 4.64 -1.48 -1.03 2.72 1.02 -1.26 -2.12 120.64 123.14 2p3d n GLU 16 Ca -0.06 1.08 -0.01 0.00 -0.02 0.00 0.00 57.16 58.16 2p3d n GLU 16 Cb 0.43 -4.85 -0.00 0.00 -0.02 0.00 0.00 31.44 27.00 2p3d n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p3d n GLY 17 N -1.65 0.16 3.15 0.62 0.00 -1.26 -4.95 105.19 101.26 2p3d n GLY 17 Ca -0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2p3d n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p3d s GLN 18 N -1.79 3.01 -0.06 1.61 -0.21 -0.90 -5.09 119.66 116.22 2p3d s GLN 18 Ca 0.00 -0.85 -0.26 0.00 0.02 0.00 0.00 55.36 54.28 2p3d s GLN 18 Cb 0.00 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 2p3d s GLN 18 CO 0.00 -0.09 0.80 -0.51 -2.12 0.00 0.00 175.29 173.37 2p3d s LEU 19 N 0.99 4.31 0.26 2.90 1.43 -1.26 -0.54 118.68 126.77 2p3d s LEU 19 Ca -0.03 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 2p3d s LEU 19 Cb -0.15 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 2p3d s LEU 19 CO -0.06 -0.19 0.03 -0.13 0.23 0.00 0.00 176.35 176.23 2p3d s ARG 20 N 1.03 1.44 -0.23 1.70 0.52 0.28 -4.99 118.95 118.70 2p3d s ARG 20 Ca 0.42 -1.76 -0.07 0.00 -0.52 0.00 0.00 55.73 53.80 2p3d s ARG 20 Cb -0.18 -0.62 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 2p3d s ARG 20 CO 0.20 -0.16 0.07 -1.21 0.02 0.00 0.00 175.30 174.23 2p3d s GLU 21 N -3.90 3.74 0.19 3.54 2.02 -1.26 -0.52 118.70 122.51 2p3d s GLU 21 Ca 0.32 -0.44 0.11 0.00 0.02 0.00 0.00 54.97 54.98 2p3d s GLU 21 Cb 0.07 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2p3d s GLU 21 CO 0.12 -0.07 -0.24 0.00 0.02 0.00 0.00 175.26 175.09 2p3d s ALA 22 N 1.31 2.48 -0.13 5.21 0.00 0.74 -4.31 121.76 127.06 2p3d s ALA 22 Ca 0.05 -1.62 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 2p3d s ALA 22 Cb -0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2p3d s ALA 22 CO 0.04 0.42 0.32 -1.17 0.00 0.00 0.00 175.76 175.37 2p3d s LEU 23 N -2.64 4.29 -0.46 0.00 2.96 0.59 0.82 118.68 124.24 2p3d s LEU 23 Ca 0.20 0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 2p3d s LEU 23 Cb -0.08 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.21 2p3d s LEU 23 CO 0.09 0.13 1.02 -0.76 -1.32 0.00 0.00 176.35 175.52 2p3d s LEU 24 N 0.20 3.84 -0.39 -0.68 1.43 -0.57 -0.07 118.68 122.43 2p3d s LEU 24 Ca 0.19 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2p3d s LEU 24 Cb -0.14 -3.36 0.11 0.00 0.03 0.00 0.00 46.19 42.83 2p3d s LEU 24 CO 0.06 -1.13 0.11 -0.62 0.23 0.00 0.00 176.35 175.00 2p3d s ASP 25 N 2.32 4.65 0.27 2.29 -1.08 -0.39 -4.80 116.67 119.94 2p3d s ASP 25 Ca 0.42 -2.40 0.24 0.00 -0.52 0.00 0.00 52.55 50.29 2p3d s ASP 25 Cb -0.09 -1.64 1.00 0.00 -1.46 0.00 0.00 42.92 40.74 2p3d s ASP 25 CO 0.28 -0.34 1.73 0.35 0.52 0.00 0.00 175.17 177.70 2p3d n THR 26 N 3.93 0.82 -0.32 1.71 -2.24 -1.26 -1.75 114.28 115.16 2p3d n THR 26 Ca 0.04 0.23 0.05 0.00 -2.27 0.00 0.00 64.05 62.10 2p3d n THR 26 Cb 0.39 -1.17 0.29 0.00 -2.10 0.00 0.00 70.33 67.74 2p3d n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p3d n GLY 27 N -0.00 2.53 3.04 3.38 0.00 -1.26 -4.81 105.19 108.06 2p3d n GLY 27 Ca 0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2p3d n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3d s ALA 28 N -2.23 2.06 0.18 4.61 0.00 -0.72 -4.99 121.76 120.67 2p3d s ALA 28 Ca 0.39 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 2p3d s ALA 28 Cb 0.29 -1.17 0.11 0.00 0.00 0.00 0.00 23.12 22.36 2p3d s ALA 28 CO 0.12 -0.52 1.82 -0.44 0.00 0.00 0.00 175.76 176.74 2p3d h ASP 29 N 7.99 0.53 -1.44 0.00 3.32 -1.87 0.14 116.42 125.09 2p3d h ASP 29 Ca -0.37 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.14 2p3d h ASP 29 Cb 1.12 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 2p3d h ASP 29 CO 0.54 0.37 -0.44 -1.81 -1.72 0.00 0.00 179.24 176.19 2p3d s ASP 30 N -5.61 4.63 -0.13 6.45 1.01 -1.26 -2.48 116.67 119.28 2p3d s ASP 30 Ca -0.13 -1.01 -0.05 0.00 0.71 0.00 0.00 52.55 52.08 2p3d s ASP 30 Cb 0.13 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.63 2p3d s ASP 30 CO 0.74 -0.64 0.04 -0.89 0.21 0.00 0.00 175.17 174.63 2p3d s THR 31 N -2.59 4.61 -0.10 -1.27 2.01 -1.26 -2.32 115.64 114.72 2p3d s THR 31 Ca 0.42 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 2p3d s THR 31 Cb 0.01 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.54 2p3d s THR 31 CO 0.24 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.97 2p3d s VAL 32 N -0.35 0.81 -0.13 3.82 1.01 0.15 -1.16 120.40 124.55 2p3d s VAL 32 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2p3d s VAL 32 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2p3d s VAL 32 CO 0.02 0.32 0.00 -0.76 0.00 0.00 0.00 175.10 174.68 2p3d s LEU 33 N 1.79 3.54 -0.56 3.92 1.02 0.22 0.09 118.68 128.70 2p3d s LEU 33 Ca 0.05 0.06 -0.23 0.00 0.02 0.00 0.00 54.13 54.02 2p3d s LEU 33 Cb -0.13 -1.84 0.05 0.00 0.02 0.00 0.00 46.19 44.29 2p3d s LEU 33 CO -0.07 0.28 0.90 -0.70 0.02 0.00 0.00 176.35 176.77 2p3d s GLU 34 N -0.26 3.27 -1.56 1.70 2.12 -1.26 -1.91 118.70 120.79 2p3d s GLU 34 Ca 0.06 -0.42 -0.15 0.00 0.36 0.00 0.00 54.97 54.82 2p3d s GLU 34 Cb -0.12 -4.08 0.10 0.00 0.26 0.00 0.00 34.13 30.29 2p3d s GLU 34 CO 0.02 -1.49 0.93 -0.25 -0.54 0.00 0.00 175.26 173.93 2p3d n ASP 35 N 7.31 -4.53 -3.93 -1.70 10.43 -1.25 -4.96 116.55 117.93 2p3d n ASP 35 Ca -0.00 -0.80 -0.31 0.00 2.57 0.00 0.00 54.79 56.25 2p3d n ASP 35 Cb 0.47 -3.63 -0.15 0.00 1.84 0.00 0.00 41.12 39.65 2p3d n ASP 35 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2p3d s ILE 36 N -3.27 1.75 -0.25 0.53 -5.25 -1.26 -5.09 121.20 108.35 2p3d s ILE 36 Ca 0.67 -1.85 -0.42 0.00 -0.99 0.00 0.00 60.65 58.07 2p3d s ILE 36 Cb -0.35 -2.23 -0.18 0.00 2.95 0.00 0.00 42.46 42.66 2p3d s ILE 36 CO 0.83 -0.50 1.50 0.59 -1.79 0.00 0.00 174.94 175.57 2p3d n ASN 37 N 4.50 1.38 -4.31 4.36 4.13 -1.26 -4.96 115.26 119.09 2p3d n ASN 37 Ca -0.02 1.14 -0.35 0.00 1.68 0.00 0.00 54.58 57.03 2p3d n ASN 37 Cb 0.42 -1.01 -0.14 0.00 -1.54 0.00 0.00 39.78 37.52 2p3d n ASN 37 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2p3d s LEU 38 N 2.21 3.04 0.40 3.41 1.43 -1.26 -5.09 118.68 122.83 2p3d s LEU 38 Ca 0.97 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 53.39 2p3d s LEU 38 Cb -1.25 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 43.09 2p3d s LEU 38 CO 0.67 -0.05 0.70 -1.54 0.23 0.00 0.00 176.35 176.37 2p3d n SER 39 N 4.80 -0.18 0.00 2.29 3.41 -1.26 -4.83 113.62 117.85 2p3d n SER 39 Ca -0.18 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2p3d n SER 39 Cb 0.50 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2p3d n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p3d n GLY 40 N 1.60 1.89 3.91 5.00 0.00 -1.26 -5.06 105.19 111.27 2p3d n GLY 40 Ca 0.11 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 2p3d n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3d s LYS 41 N -1.75 3.58 0.23 1.61 -2.85 -1.26 -5.12 119.74 114.19 2p3d s LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 2p3d s LYS 41 Cb 0.00 -2.58 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 2p3d s LYS 41 CO 0.00 0.10 0.13 1.67 0.10 0.00 0.00 175.35 177.35 2p3d s TRP 42 N -2.30 1.33 0.06 1.78 1.48 -1.26 -4.59 118.94 115.44 2p3d s TRP 42 Ca 0.44 -1.35 0.06 0.00 -1.06 0.00 0.00 56.10 54.19 2p3d s TRP 42 Cb -0.10 -0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 31.50 2p3d s TRP 42 CO 0.35 -0.57 -0.16 0.15 -4.06 0.00 0.00 176.95 172.66 2p3d s LYS 43 N -4.05 0.97 0.45 3.25 -0.14 -0.72 -4.93 119.74 114.56 2p3d s LYS 43 Ca 0.39 -0.89 -0.22 0.00 -1.36 0.00 0.00 55.97 53.89 2p3d s LYS 43 Cb 0.07 -1.02 -0.08 0.00 -1.68 0.00 0.00 37.83 35.11 2p3d s LYS 43 CO 0.14 0.24 1.09 -2.14 -0.76 0.00 0.00 175.35 173.92 2p3d s PRO 44 N -1.41 3.89 0.10 -1.68 0.02 -1.26 -1.31 135.00 133.35 2p3d s PRO 44 Ca 0.02 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 62.37 2p3d s PRO 44 Cb -0.09 -2.36 0.07 0.00 0.02 0.00 0.00 34.50 32.14 2p3d s PRO 44 CO 0.02 -0.39 0.60 0.21 -0.33 0.00 0.00 177.00 177.11 2p3d s LYS 45 N -2.78 1.20 -0.07 5.54 2.47 -0.77 -4.84 119.74 120.48 2p3d s LYS 45 Ca 0.63 -0.31 -0.02 0.00 -1.56 0.00 0.00 55.97 54.71 2p3d s LYS 45 Cb -0.23 0.55 0.03 0.00 -1.46 0.00 0.00 37.83 36.72 2p3d s LYS 45 CO 0.28 -0.49 0.02 0.42 0.16 0.00 0.00 175.35 175.74 2p3d s ILE 46 N -3.10 0.27 0.02 5.43 1.01 -1.26 -0.34 121.20 123.23 2p3d s ILE 46 Ca -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2p3d s ILE 46 Cb -0.01 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 2p3d s ILE 46 CO -0.07 0.20 0.25 0.27 0.00 0.00 0.00 174.94 175.60 2p3d s ILE 47 N 2.01 5.33 0.24 2.92 -4.36 -0.80 -4.95 121.20 121.60 2p3d s ILE 47 Ca 0.05 0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.53 2p3d s ILE 47 Cb -0.13 -3.57 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 2p3d s ILE 47 CO -0.05 0.30 0.13 -0.83 0.24 0.00 0.00 174.94 174.73 2p3d s GLY 48 N -1.92 1.51 0.00 6.27 0.00 -1.26 -0.84 107.32 111.08 2p3d s GLY 48 Ca 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2p3d s GLY 48 CO 0.19 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.40 2p3d n GLY 49 N -0.99 5.43 3.68 0.20 0.00 1.00 -4.97 105.19 109.55 2p3d n GLY 49 Ca -0.08 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 2p3d n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p3d s ILE 50 N 1.54 4.90 0.00 -0.61 -1.09 -1.26 -4.44 121.20 120.24 2p3d s ILE 50 Ca 0.00 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 2p3d s ILE 50 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2p3d s ILE 50 CO 0.00 0.08 0.00 -1.14 -1.23 0.00 0.00 174.94 172.65 2p3d n ARG 51 N 4.81 0.00 -0.17 2.79 3.00 -1.26 -4.93 116.66 120.90 2p3d n ARG 51 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2p3d n ARG 51 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2p3d n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2p3d n GLY 52 N 0.00 5.19 3.09 5.14 0.00 -1.26 -5.16 105.19 112.19 2p3d n GLY 52 Ca 0.00 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 2p3d n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2p3d s PHE 53 N -1.00 1.82 0.09 1.61 -0.12 -1.26 -0.00 117.98 119.11 2p3d s PHE 53 Ca 0.00 -0.69 0.04 0.00 -0.05 0.00 0.00 56.93 56.23 2p3d s PHE 53 Cb 0.00 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.08 2p3d s PHE 53 CO 0.00 -0.31 0.02 0.14 -0.05 0.00 0.00 175.22 175.02 2p3d s VAL 54 N 0.51 4.13 -0.02 -2.49 -7.23 -0.02 -4.97 120.40 110.31 2p3d s VAL 54 Ca -0.15 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 2p3d s VAL 54 Cb -0.16 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 2p3d s VAL 54 CO 0.05 0.12 0.65 -0.54 -0.31 0.00 0.00 175.10 175.07 2p3d s LYS 55 N -2.33 4.38 0.11 4.82 1.02 -1.26 -1.90 119.74 124.58 2p3d s LYS 55 Ca 0.27 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.09 2p3d s LYS 55 Cb -0.12 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2p3d s LYS 55 CO 0.19 0.26 -0.07 0.14 -0.92 0.00 0.00 175.35 174.95 2p3d s VAL 56 N 0.13 0.80 -0.27 3.17 -7.23 0.53 -4.42 120.40 113.12 2p3d s VAL 56 Ca 0.34 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 2p3d s VAL 56 Cb -0.18 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2p3d s VAL 56 CO 0.18 -0.83 0.34 -0.54 -0.31 0.00 0.00 175.10 173.94 2p3d s LYS 57 N -3.82 4.01 -0.04 4.82 1.02 0.21 -1.85 119.74 124.08 2p3d s LYS 57 Ca 0.13 -0.03 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 2p3d s LYS 57 Cb 0.05 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 2p3d s LYS 57 CO -0.03 -0.25 0.60 -1.14 -0.92 0.00 0.00 175.35 173.60 2p3d s GLN 58 N 2.00 4.35 -0.08 1.68 0.74 -0.43 -0.24 119.66 127.67 2p3d s GLN 58 Ca 0.13 0.72 0.04 0.00 0.05 0.00 0.00 55.36 56.30 2p3d s GLN 58 Cb -0.16 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 2p3d s GLN 58 CO 0.10 0.26 -0.23 0.71 -0.55 0.00 0.00 175.29 175.58 2p3d s TYR 59 N 0.20 2.54 0.63 1.67 1.51 0.16 -1.76 117.35 122.29 2p3d s TYR 59 Ca 0.32 -0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 2p3d s TYR 59 Cb -0.17 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2p3d s TYR 59 CO 0.16 -0.29 0.91 -1.21 -1.11 0.00 0.00 175.55 174.01 2p3d s GLU 60 N 0.08 2.46 -0.57 -0.62 0.41 -1.26 0.10 118.70 119.30 2p3d s GLU 60 Ca -0.10 -0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 2p3d s GLU 60 Cb -0.16 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 2p3d s GLU 60 CO 0.06 -0.95 0.00 -0.25 -0.49 0.00 0.00 175.26 173.63 2p3d n ASP 61 N -2.65 -1.90 -4.72 -0.19 10.43 -1.10 -4.82 116.55 111.60 2p3d n ASP 61 Ca 0.07 0.13 -0.42 0.00 2.57 0.00 0.00 54.79 57.14 2p3d n ASP 61 Cb 0.60 -1.87 -0.03 0.00 1.84 0.00 0.00 41.12 41.66 2p3d n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2p3d s ILE 62 N -1.30 2.41 -0.23 0.53 -1.09 -0.35 -4.60 121.20 116.58 2p3d s ILE 62 Ca 0.00 0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 58.51 2p3d s ILE 62 Cb 0.00 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 2p3d s ILE 62 CO 0.00 0.02 0.66 -0.22 -1.23 0.00 0.00 174.94 174.17 2p3d s LEU 63 N 1.08 4.10 -0.17 2.97 0.20 -1.26 -0.51 118.68 125.10 2p3d s LEU 63 Ca 0.71 0.81 0.00 0.00 0.69 0.00 0.00 54.13 56.34 2p3d s LEU 63 Cb -0.46 -2.92 0.00 0.00 -0.43 0.00 0.00 46.19 42.39 2p3d s LEU 63 CO 0.32 -0.35 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.24 2p3d s ILE 64 N 2.30 2.51 -0.51 6.68 1.01 0.94 -4.37 121.20 129.76 2p3d s ILE 64 Ca 0.28 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 2p3d s ILE 64 Cb -0.16 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.31 2p3d s ILE 64 CO 0.09 0.52 0.64 -0.70 0.00 0.00 0.00 174.94 175.49 2p3d s GLU 65 N 1.00 3.13 -0.38 2.79 2.12 0.46 -1.43 118.70 126.38 2p3d s GLU 65 Ca -0.02 -0.88 -0.12 0.00 0.36 0.00 0.00 54.97 54.31 2p3d s GLU 65 Cb -0.15 -4.10 0.03 0.00 0.26 0.00 0.00 34.13 30.17 2p3d s GLU 65 CO -0.04 -1.24 0.23 0.42 -0.54 0.00 0.00 175.26 174.09 2p3d s ILE 66 N 2.67 4.74 -1.23 -3.70 1.01 0.18 -0.40 121.20 124.46 2p3d s ILE 66 Ca 0.15 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 59.67 2p3d s ILE 66 Cb -0.19 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2p3d s ILE 66 CO 0.12 -0.25 0.65 0.00 0.00 0.00 0.00 174.94 175.46 2p3d n GLY 68 N -2.11 2.98 3.42 0.00 0.00 -1.26 -4.98 105.19 103.25 2p3d n GLY 68 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2p3d n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p3d s HIS 69 N -1.58 3.02 0.85 1.61 3.76 0.24 -5.11 115.29 118.07 2p3d s HIS 69 Ca 0.00 -0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 54.25 2p3d s HIS 69 Cb 0.00 -2.10 0.10 0.00 1.11 0.00 0.00 32.58 31.69 2p3d s HIS 69 CO 0.00 -0.31 1.11 -0.98 -0.85 0.00 0.00 174.74 173.72 2p3d s ARG 70 N 1.14 1.67 -0.29 1.40 1.70 -1.26 0.49 118.95 123.79 2p3d s ARG 70 Ca 0.03 0.50 -0.16 0.00 -0.47 0.00 0.00 55.73 55.63 2p3d s ARG 70 Cb -0.14 -1.88 0.16 0.00 -0.57 0.00 0.00 34.95 32.52 2p3d s ARG 70 CO 0.01 -1.88 1.05 0.00 -1.08 0.00 0.00 175.30 173.40 2p3d s ALA 71 N -3.20 -2.47 -0.08 7.88 0.00 -0.52 -4.63 121.76 118.75 2p3d s ALA 71 Ca 0.62 2.12 -0.10 0.00 0.00 0.00 0.00 51.96 54.59 2p3d s ALA 71 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 2p3d s ALA 71 CO 0.54 -0.46 0.25 0.08 0.00 0.00 0.00 175.76 176.16 2p3d s VAL 72 N 1.49 5.32 0.14 0.00 1.01 -1.26 -0.04 120.40 127.05 2p3d s VAL 72 Ca -0.07 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 2p3d s VAL 72 Cb -0.04 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2p3d s VAL 72 CO -0.14 0.58 1.07 -0.83 0.00 0.00 0.00 175.10 175.78 2p3d s GLY 73 N -0.90 -0.05 0.08 4.51 0.00 0.34 -4.92 107.32 106.38 2p3d s GLY 73 Ca 0.18 -0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 2p3d s GLY 73 CO 0.07 1.90 1.31 0.00 0.00 0.00 0.00 173.10 176.38 2p3d s ALA 74 N -2.45 3.51 -0.09 3.20 0.00 -1.26 -1.21 121.76 123.46 2p3d s ALA 74 Ca 0.19 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.16 2p3d s ALA 74 Cb -0.01 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2p3d s ALA 74 CO 0.03 -0.57 -0.15 0.08 0.00 0.00 0.00 175.76 175.15 2p3d s VAL 75 N 1.21 1.44 -0.03 0.00 1.01 0.29 -4.57 120.40 119.76 2p3d s VAL 75 Ca 0.62 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2p3d s VAL 75 Cb -0.33 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2p3d s VAL 75 CO 0.29 0.43 0.47 -0.76 0.00 0.00 0.00 175.10 175.53 2p3d s LEU 76 N 0.81 4.41 -0.11 3.92 1.43 -0.31 0.38 118.68 129.21 2p3d s LEU 76 Ca -0.11 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 2p3d s LEU 76 Cb -0.16 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2p3d s LEU 76 CO 0.02 0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.94 2p3d s VAL 77 N -0.44 1.51 0.00 -1.59 1.01 0.66 0.69 120.40 122.24 2p3d s VAL 77 Ca 0.26 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2p3d s VAL 77 Cb -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2p3d s VAL 77 CO 0.14 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2p3d n GLY 78 N 4.27 0.14 3.19 4.51 0.00 -0.80 -0.62 105.19 115.87 2p3d n GLY 78 Ca -0.19 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2p3d n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p3d n PRO 79 N -0.09 1.53 -3.92 1.61 -0.04 -1.26 -3.85 135.00 128.98 2p3d n PRO 79 Ca 0.00 -1.97 -0.31 0.00 -0.04 0.00 0.00 63.50 61.18 2p3d n PRO 79 Cb 0.00 -3.07 -0.04 0.00 -0.04 0.00 0.00 33.50 30.35 2p3d n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2p3d s THR 80 N 6.11 5.36 0.45 0.52 -1.32 -1.26 -5.03 115.64 120.47 2p3d s THR 80 Ca 0.59 -0.38 0.18 0.00 -1.21 0.00 0.00 61.69 60.87 2p3d s THR 80 Cb 0.12 -3.61 0.22 0.00 -1.51 0.00 0.00 72.50 67.72 2p3d s THR 80 CO 0.12 0.15 2.03 -0.65 -2.21 0.00 0.00 174.62 174.06 2p3d h PRO 81 N 3.14 0.00 -4.63 7.08 0.11 -1.98 -3.44 132.00 132.28 2p3d h PRO 81 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 2p3d h PRO 81 Cb 1.16 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 2p3d h PRO 81 CO 0.75 0.16 -0.70 0.00 -0.21 0.00 0.00 178.00 178.00 2p3d s ALA 82 N -4.55 0.94 0.03 -0.75 0.00 -1.26 -5.05 121.76 111.12 2p3d s ALA 82 Ca -0.04 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2p3d s ALA 82 Cb 0.15 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 2p3d s ALA 82 CO 0.66 -0.23 1.32 -0.80 0.00 0.00 0.00 175.76 176.71 2p3d s ASN 83 N -2.95 6.93 -0.19 0.00 0.01 -1.26 -4.37 114.94 113.11 2p3d s ASN 83 Ca 0.10 2.09 -0.01 0.00 -0.71 0.00 0.00 52.86 54.34 2p3d s ASN 83 Cb 0.04 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.15 2p3d s ASN 83 CO -0.05 -0.62 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.15 2p3d s ILE 84 N 1.75 2.51 -0.50 0.60 1.01 0.11 -0.30 121.20 126.39 2p3d s ILE 84 Ca 0.61 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2p3d s ILE 84 Cb -0.31 -2.09 0.05 0.00 0.01 0.00 0.00 42.46 40.11 2p3d s ILE 84 CO 0.27 0.50 0.72 -0.63 0.00 0.00 0.00 174.94 175.80 2p3d s ILE 85 N 1.35 4.73 0.75 2.92 -1.09 0.90 0.31 121.20 131.07 2p3d s ILE 85 Ca 0.05 -0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 2p3d s ILE 85 Cb -0.13 -4.35 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 2p3d s ILE 85 CO -0.10 -0.85 1.07 -0.83 -1.23 0.00 0.00 174.94 173.00 2p3d s GLY 86 N 2.58 1.72 0.39 6.18 0.00 -0.98 -1.26 107.32 115.95 2p3d s GLY 86 Ca 0.21 -1.14 0.19 0.00 0.00 0.00 0.00 44.72 43.98 2p3d s GLY 86 CO 0.16 -0.64 1.73 3.21 0.00 0.00 0.00 173.10 177.56 2p3d h ARG 87 N -0.78 0.35 -0.98 2.90 3.08 -0.76 0.11 114.38 118.30 2p3d h ARG 87 Ca -0.43 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 59.80 2p3d h ARG 87 Cb 1.29 -0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.15 2p3d h ARG 87 CO 0.52 0.23 0.57 -2.95 -1.07 0.00 0.00 179.97 177.27 2p3d h ASN 88 N 0.36 0.70 0.43 7.04 -1.07 -1.72 0.15 115.58 121.46 2p3d h ASN 88 Ca 0.65 0.11 -0.31 0.00 0.07 0.00 0.00 56.30 56.82 2p3d h ASN 88 Cb 1.66 -0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 37.87 2p3d h ASN 88 CO -0.36 0.21 -1.70 0.24 0.07 0.00 0.00 177.43 175.89 2p3d h MET 89 N 0.68 0.12 -0.06 4.14 2.86 -1.18 -3.39 114.93 118.09 2p3d h MET 89 Ca 0.58 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2p3d h MET 89 Cb 0.94 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2p3d h MET 89 CO -0.41 0.83 -0.42 -0.07 1.06 0.00 0.00 176.91 177.90 2p3d h LEU 90 N 0.03 0.14 -1.22 1.22 3.38 0.06 -2.74 115.31 116.19 2p3d h LEU 90 Ca -0.29 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 2p3d h LEU 90 Cb 2.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2p3d h LEU 90 CO 0.10 0.55 -0.28 0.71 0.09 0.00 0.00 178.44 179.62 2p3d h THR 91 N 0.12 1.24 -0.02 0.22 1.35 -0.95 -0.49 112.91 114.38 2p3d h THR 91 Ca 0.01 -1.14 -0.25 0.00 -0.55 0.00 0.00 66.41 64.48 2p3d h THR 91 Cb 0.79 1.48 0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2p3d h THR 91 CO 0.06 0.34 -0.99 1.56 -0.25 0.00 0.00 175.52 176.24 2p3d h GLN 92 N 0.16 0.64 0.00 4.72 4.20 -1.69 -2.42 115.11 120.72 2p3d h GLN 92 Ca 0.02 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.06 2p3d h GLN 92 Cb 0.58 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2p3d h GLN 92 CO 0.04 1.27 0.00 0.44 -0.67 0.00 0.00 178.83 179.91 2p3d n ILE 93 N -3.84 0.00 -3.56 2.54 -5.35 -1.16 -4.85 119.36 103.15 2p3d n ILE 93 Ca -0.10 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.17 2p3d n ILE 93 Cb 0.86 -0.19 0.08 0.00 -1.74 0.00 0.00 39.64 38.65 2p3d n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p3d n GLY 94 N 0.19 -0.47 3.70 3.28 0.00 -0.91 -4.99 105.19 105.99 2p3d n GLY 94 Ca 0.01 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2p3d n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3d s THR 96 N 0.96 1.60 0.19 0.00 -4.23 -1.26 -4.66 115.64 108.24 2p3d s THR 96 Ca 0.29 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 58.84 2p3d s THR 96 Cb -0.16 -1.64 -0.08 0.00 1.34 0.00 0.00 72.50 71.97 2p3d s THR 96 CO 0.12 -0.28 0.73 -0.76 -0.54 0.00 0.00 174.62 173.88 2p3d s LEU 97 N -2.38 4.46 -0.16 4.79 1.43 -1.26 -5.07 118.68 120.49 2p3d s LEU 97 Ca 0.10 1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 54.65 2p3d s LEU 97 Cb -0.07 -3.41 0.07 0.00 0.03 0.00 0.00 46.19 42.81 2p3d s LEU 97 CO 0.05 0.12 0.14 0.20 0.23 0.00 0.00 176.35 177.09 2p3d s ASN 98 N -1.40 1.75 0.00 2.29 0.02 -1.26 -5.28 114.94 111.05 2p3d s ASN 98 Ca 0.39 -0.33 0.00 0.00 -1.02 0.00 0.00 52.86 51.90 2p3d s ASN 98 Cb -0.19 0.05 0.00 0.00 0.02 0.00 0.00 41.25 41.12 2p3d s ASN 98 CO 0.23 -0.32 0.00 2.22 0.02 0.00 0.00 177.10 179.24