#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4z s VAL 1 N 0.00 5.01 -0.45 2.03 0.11 -1.26 -5.06 120.40 120.78 3n4z s VAL 1 Ca 0.00 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 3n4z s VAL 1 Cb 0.00 -3.25 0.04 0.00 -1.53 0.00 0.00 36.38 31.64 3n4z s VAL 1 CO 0.00 0.49 0.45 -0.62 -3.33 0.00 0.00 175.10 172.09 3n4z s ASP 2 N 0.10 6.18 0.15 3.54 2.15 -1.26 -4.98 116.67 122.55 3n4z s ASP 2 Ca 0.07 -0.89 -0.24 0.00 0.43 0.00 0.00 52.55 51.91 3n4z s ASP 2 Cb -0.12 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 3n4z s ASP 2 CO 0.00 -0.64 1.62 0.15 -0.17 0.00 0.00 175.17 176.13 3n4z h PHE 3 N 8.78 -0.79 -0.82 -5.34 3.57 -1.99 -1.05 116.94 119.30 3n4z h PHE 3 Ca -0.27 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.30 3n4z h PHE 3 Cb 1.11 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 3n4z h PHE 3 CO 0.64 -0.36 0.54 0.00 -2.23 0.00 0.00 178.31 176.90 3n4z h ALA 4 N 0.61 1.47 -0.14 2.41 0.00 -1.99 0.19 119.26 121.81 3n4z h ALA 4 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3n4z h ALA 4 Cb 0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3n4z h ALA 4 CO -0.39 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 179.64 3n4z h PHE 5 N 1.04 0.31 -0.60 0.00 3.57 -1.84 -1.82 116.94 117.59 3n4z h PHE 5 Ca 0.32 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 3n4z h PHE 5 Cb -0.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3n4z h PHE 5 CO -0.00 0.55 0.02 0.93 -2.23 0.00 0.00 178.31 177.58 3n4z h GLU 6 N -0.03 1.05 -0.42 1.11 4.39 -0.70 0.63 114.58 120.62 3n4z h GLU 6 Ca 0.04 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 3n4z h GLU 6 Cb 0.45 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3n4z h GLU 6 CO 0.01 1.02 0.23 1.25 -1.16 0.00 0.00 179.01 180.37 3n4z h LEU 7 N 0.95 0.51 -0.55 1.33 5.85 -0.63 0.14 115.31 122.92 3n4z h LEU 7 Ca 0.17 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3n4z h LEU 7 Cb 0.54 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3n4z h LEU 7 CO 0.03 0.45 0.17 0.11 -0.34 0.00 0.00 178.44 178.85 3n4z h LYS 8 N 0.54 0.85 -0.82 1.25 6.56 -1.14 0.00 116.57 123.82 3n4z h LYS 8 Ca 0.15 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 3n4z h LYS 8 Cb 0.04 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.54 3n4z h LYS 8 CO -0.02 0.78 0.37 -0.22 -2.06 0.00 0.00 179.45 178.29 3n4z h LYS 9 N 0.76 1.20 -0.11 3.15 1.63 -0.49 0.32 116.57 123.03 3n4z h LYS 9 Ca 0.18 -0.19 -0.16 0.00 -0.85 0.00 0.00 60.65 59.62 3n4z h LYS 9 Cb 0.28 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3n4z h LYS 9 CO -0.01 0.94 -0.63 0.00 -3.45 0.00 0.00 179.45 176.31 3n4z h ALA 10 N 1.20 0.71 -0.52 5.00 0.00 -0.51 -0.65 119.26 124.49 3n4z h ALA 10 Ca 0.28 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3n4z h ALA 10 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3n4z h ALA 10 CO -0.03 0.72 -0.15 0.37 0.00 0.00 0.00 179.25 180.16 3n4z h GLN 11 N 0.30 1.01 -0.10 0.00 4.15 -0.61 0.12 115.11 119.98 3n4z h GLN 11 Ca -0.01 -0.40 -0.12 0.00 0.77 0.00 0.00 58.65 58.89 3n4z h GLN 11 Cb 1.17 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3n4z h GLN 11 CO 0.11 1.08 -0.41 0.22 -1.93 0.00 0.00 178.83 177.90 3n4z h ASP 12 N 0.89 0.54 0.00 -0.69 3.58 -0.79 -3.40 116.42 116.55 3n4z h ASP 12 Ca 0.13 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3n4z h ASP 12 Cb 0.72 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3n4z h ASP 12 CO 0.06 1.08 -1.05 0.35 -2.88 0.00 0.00 179.24 176.79 3n4z n THR 13 N -4.31 0.00 -0.51 2.25 -2.24 -0.26 -5.01 114.28 104.20 3n4z n THR 13 Ca -0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3n4z n THR 13 Cb 0.55 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3n4z n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4z n GLY 14 N 1.72 3.93 2.80 3.38 0.00 0.42 -4.43 105.19 113.01 3n4z n GLY 14 Ca -0.00 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 3n4z n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n4z s LYS 15 N 4.30 0.25 0.01 1.61 -0.14 0.12 -4.80 119.74 121.09 3n4z s LYS 15 Ca 0.00 0.11 0.05 0.00 -1.36 0.00 0.00 55.97 54.77 3n4z s LYS 15 Cb 0.00 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 3n4z s LYS 15 CO 0.00 -0.16 -0.16 0.96 -0.76 0.00 0.00 175.35 175.23 3n4z s ILE 16 N 1.17 1.24 -0.09 2.17 -4.36 -1.26 -1.17 121.20 118.89 3n4z s ILE 16 Ca -0.08 -0.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 3n4z s ILE 16 Cb -0.13 -1.06 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 3n4z s ILE 16 CO -0.02 0.25 -0.12 -0.69 0.24 0.00 0.00 174.94 174.60 3n4z s VAL 17 N -0.53 3.25 0.07 8.37 1.01 0.67 -4.94 120.40 128.30 3n4z s VAL 17 Ca 0.05 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3n4z s VAL 17 Cb -0.07 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3n4z s VAL 17 CO 0.00 0.56 -0.02 -0.04 0.00 0.00 0.00 175.10 175.60 3n4z s MET 18 N -0.21 2.52 0.00 2.72 -1.94 -1.26 0.61 119.30 121.73 3n4z s MET 18 Ca 0.01 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 3n4z s MET 18 Cb -0.13 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.19 3n4z s MET 18 CO 0.03 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 176.00 3n4z n GLY 19 N 0.78 3.00 0.19 -0.03 0.00 0.16 -4.65 105.19 104.65 3n4z n GLY 19 Ca -0.12 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 3n4z n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4z h ALA 20 N 0.00 0.57 -0.50 4.61 0.00 -1.93 -1.78 119.26 120.23 3n4z h ALA 20 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3n4z h ALA 20 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3n4z h ALA 20 CO 0.00 -0.08 -0.19 1.57 0.00 0.00 0.00 179.25 180.55 3n4z h LYS 21 N 0.50 1.01 -0.13 0.00 5.09 -1.94 -0.17 116.57 120.93 3n4z h LYS 21 Ca 0.19 -0.41 -0.16 0.00 0.09 0.00 0.00 60.65 60.35 3n4z h LYS 21 Cb 0.05 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.33 3n4z h LYS 21 CO -0.11 1.09 -0.61 0.87 -2.09 0.00 0.00 179.45 178.61 3n4z h LYS 22 N 0.87 0.43 -0.45 0.07 1.57 -1.82 -1.77 116.57 115.48 3n4z h LYS 22 Ca 0.12 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 3n4z h LYS 22 Cb 0.76 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3n4z h LYS 22 CO 0.06 0.91 -0.05 0.77 -0.57 0.00 0.00 179.45 180.56 3n4z h SER 23 N 0.32 0.83 -0.22 0.86 0.02 -0.92 0.17 113.55 114.60 3n4z h SER 23 Ca -0.01 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3n4z h SER 23 Cb 1.15 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3n4z h SER 23 CO 0.11 0.97 0.08 0.40 -1.14 0.00 0.00 176.83 177.25 3n4z h ILE 24 N 0.67 1.17 -0.66 3.27 2.04 -1.02 -0.89 117.51 122.09 3n4z h ILE 24 Ca 0.12 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3n4z h ILE 24 Cb 0.58 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3n4z h ILE 24 CO 0.03 0.17 0.42 -0.61 0.00 0.00 0.00 178.15 178.17 3n4z h GLN 25 N 0.20 0.83 -0.49 2.37 5.75 -1.06 0.11 115.11 122.81 3n4z h GLN 25 Ca 0.07 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3n4z h GLN 25 Cb 0.18 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3n4z h GLN 25 CO -0.01 0.55 0.18 1.88 -2.65 0.00 0.00 178.83 178.79 3n4z h TYR 26 N 0.85 0.71 -0.44 3.99 0.05 -0.50 -2.37 116.97 119.26 3n4z h TYR 26 Ca 0.25 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.92 3n4z h TYR 26 Cb -0.05 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3n4z h TYR 26 CO -0.04 0.57 -0.04 0.00 -1.05 0.00 0.00 178.16 177.60 3n4z h ALA 27 N 1.50 0.59 -0.16 3.88 0.00 0.18 -0.28 119.26 124.98 3n4z h ALA 27 Ca 0.17 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3n4z h ALA 27 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3n4z h ALA 27 CO -0.01 0.42 0.13 0.87 0.00 0.00 0.00 179.25 180.65 3n4z h LYS 28 N 0.63 0.00 0.00 0.00 1.57 -0.43 -3.21 116.57 115.14 3n4z h LYS 28 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3n4z h LYS 28 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3n4z h LYS 28 CO 0.03 0.00 -0.72 -1.33 -0.57 0.00 0.00 179.45 176.86 3n4z n MET 29 N -4.25 2.13 -1.24 3.15 2.81 -0.69 -4.94 117.12 114.10 3n4z n MET 29 Ca 0.01 -0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 3n4z n MET 29 Cb 0.25 -1.19 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 3n4z n MET 29 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n4z n GLY 30 N 1.35 0.97 1.66 3.03 0.00 -0.20 -4.92 105.19 107.09 3n4z n GLY 30 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3n4z n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n4z n GLY 31 N -1.46 3.22 3.14 -0.02 0.00 -1.12 -4.90 105.19 104.06 3n4z n GLY 31 Ca -0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3n4z n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4z s ALA 32 N -2.13 0.80 -0.11 4.61 0.00 -1.26 -4.77 121.76 118.90 3n4z s ALA 32 Ca 0.36 -1.30 0.13 0.00 0.00 0.00 0.00 51.96 51.15 3n4z s ALA 32 Cb 0.30 0.23 -0.24 0.00 0.00 0.00 0.00 23.12 23.41 3n4z s ALA 32 CO 0.08 -0.29 0.40 1.63 0.00 0.00 0.00 175.76 177.57 3n4z n LYS 33 N 0.01 0.66 -3.78 0.00 4.76 0.10 -4.87 118.16 115.04 3n4z n LYS 33 Ca -0.13 0.18 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 3n4z n LYS 33 Cb 0.61 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 3n4z n LYS 33 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3n4z s LEU 34 N -5.92 0.97 -0.13 -0.35 2.96 -1.10 -4.06 118.68 111.05 3n4z s LEU 34 Ca -0.08 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3n4z s LEU 34 Cb 0.07 0.99 -0.00 0.00 0.50 0.00 0.00 46.19 47.75 3n4z s LEU 34 CO 0.82 -0.18 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.87 3n4z s ILE 35 N -0.23 2.58 -0.17 6.68 1.01 -0.01 -0.07 121.20 130.99 3n4z s ILE 35 Ca -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 3n4z s ILE 35 Cb -0.03 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3n4z s ILE 35 CO 0.01 0.53 -0.06 -0.63 0.00 0.00 0.00 174.94 174.79 3n4z s ILE 36 N 0.58 3.56 0.08 2.92 1.01 -0.43 0.82 121.20 129.74 3n4z s ILE 36 Ca -0.10 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.19 3n4z s ILE 36 Cb -0.16 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3n4z s ILE 36 CO 0.03 0.48 -0.27 0.68 0.00 0.00 0.00 174.94 175.87 3n4z s VAL 37 N 0.68 2.18 0.51 2.92 -7.23 0.34 -1.10 120.40 118.69 3n4z s VAL 37 Ca -0.03 -1.54 -0.19 0.00 -1.81 0.00 0.00 61.98 58.41 3n4z s VAL 37 Cb -0.15 -1.89 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 3n4z s VAL 37 CO 0.02 0.26 1.04 0.00 -0.31 0.00 0.00 175.10 176.11 3n4z s ALA 38 N -0.91 2.85 0.41 1.32 0.00 0.85 -0.56 121.76 125.73 3n4z s ALA 38 Ca 0.13 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.74 3n4z s ALA 38 Cb -0.10 -3.25 0.89 0.00 0.00 0.00 0.00 23.12 20.66 3n4z s ALA 38 CO 0.04 -0.40 2.02 -0.09 0.00 0.00 0.00 175.76 177.33 3n4z h ARG 39 N 1.35 0.53 -0.83 0.00 2.43 -0.57 -1.90 114.38 115.39 3n4z h ARG 39 Ca -0.49 -0.03 -0.43 0.00 -0.81 0.00 0.00 59.98 58.22 3n4z h ARG 39 Cb 1.22 -0.12 -0.25 0.00 -0.42 0.00 0.00 29.97 30.40 3n4z h ARG 39 CO 0.59 0.35 0.46 0.27 -1.51 0.00 0.00 179.97 180.13 3n4z n ASN 40 N -4.47 3.48 -4.77 -3.80 6.94 -1.26 -4.97 115.26 106.41 3n4z n ASN 40 Ca 0.06 -3.64 -0.39 0.00 -0.02 0.00 0.00 54.58 50.60 3n4z n ASN 40 Cb 0.16 -0.79 -0.01 0.00 -2.36 0.00 0.00 39.78 36.79 3n4z n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3n4z s ALA 41 N -3.28 3.15 0.13 -2.53 0.00 -0.72 -4.87 121.76 113.65 3n4z s ALA 41 Ca 0.54 1.12 -0.35 0.00 0.00 0.00 0.00 51.96 53.27 3n4z s ALA 41 Cb 0.46 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.98 3n4z s ALA 41 CO 0.08 -0.75 1.29 1.63 0.00 0.00 0.00 175.76 178.02 3n4z n LYS 42 N -0.05 1.26 0.21 0.00 5.02 -1.26 -4.77 118.16 118.57 3n4z n LYS 42 Ca 0.05 0.45 0.09 0.00 -2.02 0.00 0.00 58.31 56.88 3n4z n LYS 42 Cb 0.45 -2.05 0.63 0.00 -0.02 0.00 0.00 35.03 34.04 3n4z n LYS 42 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3n4z h PRO 43 N 4.20 0.04 0.03 1.97 0.11 -1.97 -0.58 132.00 135.79 3n4z h PRO 43 Ca -0.46 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 3n4z h PRO 43 Cb 1.33 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3n4z h PRO 43 CO 0.76 0.02 -1.10 0.38 -0.21 0.00 0.00 178.00 177.85 3n4z h ASP 44 N 0.04 0.10 -0.46 -2.05 -0.00 -1.99 0.12 116.42 112.18 3n4z h ASP 44 Ca 0.04 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 3n4z h ASP 44 Cb 0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.41 3n4z h ASP 44 CO -0.00 1.09 0.27 0.40 -0.00 0.00 0.00 179.24 181.00 3n4z h ILE 45 N 0.02 1.15 -0.93 4.15 1.08 -1.53 -0.93 117.51 120.51 3n4z h ILE 45 Ca -0.06 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 3n4z h ILE 45 Cb 1.83 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 36.08 3n4z h ILE 45 CO 0.14 0.15 0.62 0.50 -0.69 0.00 0.00 178.15 178.87 3n4z h LYS 46 N 0.62 1.21 -0.06 2.37 3.64 -0.81 -2.05 116.57 121.49 3n4z h LYS 46 Ca 0.17 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3n4z h LYS 46 Cb 0.01 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3n4z h LYS 46 CO -0.03 0.80 0.00 0.93 -2.27 0.00 0.00 179.45 178.88 3n4z h GLU 47 N 1.25 0.10 -0.34 1.90 5.08 -0.44 -2.34 114.58 119.78 3n4z h GLU 47 Ca 0.35 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 3n4z h GLU 47 Cb -0.12 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.04 3n4z h GLU 47 CO -0.08 0.36 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.49 3n4z h ASP 48 N -0.18 -1.16 -0.02 1.42 5.19 -0.97 0.77 116.42 121.47 3n4z h ASP 48 Ca 0.02 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3n4z h ASP 48 Cb 0.31 0.52 -0.04 0.00 0.18 0.00 0.00 39.33 40.31 3n4z h ASP 48 CO 0.00 -0.35 -0.18 0.40 -3.12 0.00 0.00 179.24 176.00 3n4z h ILE 49 N -0.31 0.57 -0.55 0.35 2.04 -1.36 -1.94 117.51 116.31 3n4z h ILE 49 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3n4z h ILE 49 Cb 0.56 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3n4z h ILE 49 CO -0.51 0.00 0.33 -0.33 0.00 0.00 0.00 178.15 177.65 3n4z h GLU 50 N -0.27 0.65 0.65 2.37 5.08 -1.03 0.86 114.58 122.87 3n4z h GLU 50 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3n4z h GLU 50 Cb 0.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3n4z h GLU 50 CO -0.18 0.43 -0.49 -0.92 -1.00 0.00 0.00 179.01 176.84 3n4z h TYR 51 N 0.67 -1.34 -0.43 4.33 3.20 -0.56 -1.12 116.97 121.72 3n4z h TYR 51 Ca 0.22 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3n4z h TYR 51 Cb 0.00 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3n4z h TYR 51 CO -0.06 -0.70 0.00 1.88 -1.64 0.00 0.00 178.16 177.65 3n4z h TYR 52 N -1.10 0.73 -0.00 -3.82 0.05 -1.24 -2.67 116.97 108.91 3n4z h TYR 52 Ca -0.08 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.50 3n4z h TYR 52 Cb 0.91 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 3n4z h TYR 52 CO -0.18 0.69 -0.50 0.00 -1.05 0.00 0.00 178.16 177.12 3n4z h ALA 53 N 1.35 1.16 -0.45 3.88 0.00 -0.74 -0.82 119.26 123.65 3n4z h ALA 53 Ca 0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3n4z h ALA 53 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n4z h ALA 53 CO 0.02 0.63 -0.21 -0.22 0.00 0.00 0.00 179.25 179.46 3n4z h LYS 54 N 0.01 0.91 -0.16 0.00 3.64 -0.94 0.25 116.57 120.28 3n4z h LYS 54 Ca -0.00 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 3n4z h LYS 54 Cb 0.89 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3n4z h LYS 54 CO 0.07 1.03 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.77 3n4z h LEU 55 N 0.79 0.41 -2.13 5.20 3.38 -1.08 -3.08 115.31 118.80 3n4z h LEU 55 Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3n4z h LEU 55 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3n4z h LEU 55 CO 0.06 0.80 0.00 -1.54 0.09 0.00 0.00 178.44 177.85 3n4z n SER 56 N -4.01 3.22 -2.38 -0.43 3.41 -0.37 -4.97 113.62 108.09 3n4z n SER 56 Ca -0.02 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 3n4z n SER 56 Cb 0.52 -0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3n4z n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n4z n GLY 57 N 1.44 0.01 3.47 5.00 0.00 -0.34 -4.77 105.19 109.99 3n4z n GLY 57 Ca 0.17 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3n4z n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n4z s ILE 58 N -3.20 3.37 0.41 -0.61 1.01 0.75 -5.03 121.20 117.89 3n4z s ILE 58 Ca 0.12 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 3n4z s ILE 58 Cb -0.05 -2.40 -0.09 0.00 0.01 0.00 0.00 42.46 39.93 3n4z s ILE 58 CO 0.43 0.55 1.06 -2.84 0.00 0.00 0.00 174.94 174.14 3n4z s PRO 59 N -0.15 4.12 -0.03 2.79 0.02 -1.26 -4.43 135.00 136.06 3n4z s PRO 59 Ca 0.01 1.53 0.07 0.00 0.02 0.00 0.00 61.00 62.63 3n4z s PRO 59 Cb -0.13 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.86 3n4z s PRO 59 CO 0.03 -0.19 -0.24 0.08 -0.33 0.00 0.00 177.00 176.35 3n4z s VAL 60 N -1.66 1.92 -0.04 3.83 1.01 -1.26 -0.83 120.40 123.38 3n4z s VAL 60 Ca 0.59 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3n4z s VAL 60 Cb -0.22 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3n4z s VAL 60 CO 0.28 0.54 -0.16 -0.47 0.00 0.00 0.00 175.10 175.29 3n4z s TYR 61 N -0.48 1.55 -0.43 5.22 5.04 0.24 -4.89 117.35 123.61 3n4z s TYR 61 Ca 0.07 -0.42 -0.19 0.00 -2.44 0.00 0.00 57.07 54.09 3n4z s TYR 61 Cb -0.10 -1.05 0.02 0.00 0.35 0.00 0.00 41.96 41.18 3n4z s TYR 61 CO -0.00 -0.13 0.53 -2.00 -1.34 0.00 0.00 175.55 172.61 3n4z s GLU 62 N 0.00 3.20 0.26 4.97 2.12 -1.26 -0.51 118.70 127.48 3n4z s GLU 62 Ca -0.02 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 3n4z s GLU 62 Cb -0.10 -3.95 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 3n4z s GLU 62 CO 0.01 -0.92 1.46 0.12 -0.54 0.00 0.00 175.26 175.39 3n4z s PHE 63 N 2.46 2.97 -1.90 5.30 5.36 0.28 -4.89 117.98 127.55 3n4z s PHE 63 Ca 0.17 1.02 0.29 0.00 -0.96 0.00 0.00 56.93 57.46 3n4z s PHE 63 Cb -0.16 -3.85 1.38 0.00 -0.34 0.00 0.00 43.02 40.05 3n4z s PHE 63 CO 0.16 -2.76 1.94 -0.85 -1.46 0.00 0.00 175.22 172.25 3n4z n GLU 64 N 2.15 0.96 -2.76 10.12 0.28 -1.26 -1.89 120.64 128.23 3n4z n GLU 64 Ca 0.06 -0.31 -0.19 0.00 -0.16 0.00 0.00 57.16 56.56 3n4z n GLU 64 Cb 0.40 -1.49 0.08 0.00 1.43 0.00 0.00 31.44 31.85 3n4z n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n4z n GLY 65 N 1.19 1.63 3.94 -1.84 0.00 -1.26 -4.69 105.19 104.15 3n4z n GLY 65 Ca 0.18 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 3n4z n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n4z s THR 66 N -2.53 2.22 -0.32 2.61 -4.23 -1.26 -1.60 115.64 110.54 3n4z s THR 66 Ca 0.59 -0.26 0.27 0.00 -1.18 0.00 0.00 61.69 61.11 3n4z s THR 66 Cb -0.04 -2.96 0.33 0.00 1.34 0.00 0.00 72.50 71.17 3n4z s THR 66 CO 0.38 0.00 1.79 0.77 -0.54 0.00 0.00 174.62 177.02 3n4z h SER 67 N -0.72 0.00 -0.11 3.99 4.64 -1.90 -1.26 113.55 118.19 3n4z h SER 67 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 3n4z h SER 67 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3n4z h SER 67 CO 0.56 0.00 -0.04 0.58 -0.87 0.00 0.00 176.83 177.06 3n4z h VAL 68 N 0.00 1.31 -0.52 0.95 2.07 -1.90 0.50 116.25 118.66 3n4z h VAL 68 Ca 0.00 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 3n4z h VAL 68 Cb 0.63 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3n4z h VAL 68 CO 0.00 0.29 0.10 -0.08 0.02 0.00 0.00 177.57 177.90 3n4z h GLU 69 N -0.13 0.86 -0.45 1.57 4.81 -1.86 -1.26 114.58 118.12 3n4z h GLU 69 Ca 0.02 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3n4z h GLU 69 Cb 0.48 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3n4z h GLU 69 CO 0.01 0.84 0.19 1.25 -0.73 0.00 0.00 179.01 180.57 3n4z h LEU 70 N 0.75 0.23 -0.57 1.64 5.85 -1.30 0.22 115.31 122.13 3n4z h LEU 70 Ca 0.16 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 3n4z h LEU 70 Cb 0.38 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3n4z h LEU 70 CO 0.01 0.17 -0.07 1.23 -0.34 0.00 0.00 178.44 179.44 3n4z h GLY 71 N 0.38 1.13 0.95 3.75 0.00 -1.29 -2.25 103.07 105.74 3n4z h GLY 71 Ca 0.21 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.66 3n4z h GLY 71 CO -0.19 0.81 0.47 -0.84 0.00 0.00 0.00 176.54 176.80 3n4z h THR 72 N 0.94 1.15 -0.28 4.70 2.02 -0.97 0.44 112.91 120.91 3n4z h THR 72 Ca 0.15 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3n4z h THR 72 Cb 0.64 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3n4z h THR 72 CO 0.04 0.17 0.17 -0.07 0.37 0.00 0.00 175.52 176.20 3n4z h LEU 73 N 0.94 0.33 -0.41 2.58 3.38 -0.25 -1.64 115.31 120.24 3n4z h LEU 73 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3n4z h LEU 73 Cb -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3n4z h LEU 73 CO -0.08 0.26 -0.15 0.18 0.09 0.00 0.00 178.44 178.74 3n4z n LEU 74 N -4.47 0.79 0.00 1.67 4.77 -0.59 -4.89 117.00 114.28 3n4z n LEU 74 Ca 0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3n4z n LEU 74 Cb 0.08 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3n4z n LEU 74 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3n4z n GLY 75 N 1.28 0.70 3.44 -0.72 0.00 -0.55 -5.07 105.19 104.27 3n4z n GLY 75 Ca 0.14 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3n4z n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n4z s LYS 76 N -2.10 2.89 0.00 1.61 -0.14 0.15 -4.98 119.74 117.16 3n4z s LYS 76 Ca 0.00 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.95 3n4z s LYS 76 Cb 0.00 -2.49 0.15 0.00 -1.68 0.00 0.00 37.83 33.80 3n4z s LYS 76 CO 0.00 0.45 0.88 -2.30 -0.76 0.00 0.00 175.35 173.62 3n4z n PRO 77 N 2.82 0.78 -4.25 -1.68 -0.02 -1.26 -3.40 135.00 127.98 3n4z n PRO 77 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.17 3n4z n PRO 77 Cb 0.52 -1.05 -0.10 0.00 -0.02 0.00 0.00 33.50 32.85 3n4z n PRO 77 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3n4z s HIS 78 N -2.00 1.28 0.54 6.00 -3.43 -1.26 -5.09 115.29 111.33 3n4z s HIS 78 Ca 0.04 -1.20 -0.21 0.00 -0.80 0.00 0.00 55.06 52.88 3n4z s HIS 78 Cb 0.02 -0.71 -0.05 0.00 -1.43 0.00 0.00 32.58 30.40 3n4z s HIS 78 CO 0.03 -0.41 1.28 0.95 -2.00 0.00 0.00 174.74 174.59 3n4z s THR 79 N -3.88 2.44 -0.16 -5.38 -4.23 -1.26 -4.42 115.64 98.75 3n4z s THR 79 Ca 0.33 0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3n4z s THR 79 Cb 0.07 -3.15 0.04 0.00 1.34 0.00 0.00 72.50 70.80 3n4z s THR 79 CO 0.10 -0.02 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.40 3n4z s VAL 80 N -1.42 1.17 -0.17 2.29 1.01 0.14 -4.85 120.40 118.57 3n4z s VAL 80 Ca 0.71 -0.62 0.22 0.00 0.00 0.00 0.00 61.98 62.29 3n4z s VAL 80 Cb -0.35 -1.31 -0.12 0.00 0.00 0.00 0.00 36.38 34.60 3n4z s VAL 80 CO 0.41 0.18 0.85 -1.54 0.00 0.00 0.00 175.10 175.00 3n4z n SER 81 N 4.86 0.57 -3.91 3.32 3.41 -1.26 -4.28 113.62 116.33 3n4z n SER 81 Ca -0.12 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 3n4z n SER 81 Cb 0.48 0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 65.35 3n4z n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n4z s ALA 82 N -3.41 -0.56 0.07 7.33 0.00 -1.26 -0.10 121.76 123.82 3n4z s ALA 82 Ca -0.03 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 3n4z s ALA 82 Cb 0.11 0.96 0.05 0.00 0.00 0.00 0.00 23.12 24.24 3n4z s ALA 82 CO 0.83 -0.86 0.50 -0.48 0.00 0.00 0.00 175.76 175.76 3n4z s LEU 83 N -2.96 -0.03 -0.11 0.00 0.05 -0.26 -0.66 118.68 114.71 3n4z s LEU 83 Ca 0.17 0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.42 3n4z s LEU 83 Cb -0.01 2.12 -0.02 0.00 -2.05 0.00 0.00 46.19 46.22 3n4z s LEU 83 CO 0.05 -0.77 -0.12 0.00 -0.55 0.00 0.00 176.35 174.97 3n4z s ALA 84 N -2.83 2.71 -0.48 1.48 0.00 0.20 -1.32 121.76 121.53 3n4z s ALA 84 Ca -0.03 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 3n4z s ALA 84 Cb -0.00 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3n4z s ALA 84 CO -0.05 0.35 0.76 0.08 0.00 0.00 0.00 175.76 176.91 3n4z s VAL 85 N -0.03 4.67 -0.05 0.00 1.01 0.90 -0.24 120.40 126.65 3n4z s VAL 85 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3n4z s VAL 85 Cb -0.14 -4.34 -0.27 0.00 0.00 0.00 0.00 36.38 31.63 3n4z s VAL 85 CO 0.04 -0.79 0.63 0.58 0.00 0.00 0.00 175.10 175.56 3n4z h VAL 86 N 5.95 0.89 -2.68 2.92 2.07 -1.43 0.29 116.25 124.27 3n4z h VAL 86 Ca -0.26 -2.58 -0.28 0.00 0.82 0.00 0.00 66.70 64.40 3n4z h VAL 86 Cb 1.09 2.62 -0.35 0.00 -1.52 0.00 0.00 31.29 33.13 3n4z h VAL 86 CO 0.97 0.80 -0.60 -0.62 0.02 0.00 0.00 177.57 178.14 3n4z s ASP 87 N -6.91 0.98 0.02 0.57 2.15 -0.72 -4.37 116.67 108.39 3n4z s ASP 87 Ca -0.14 0.09 0.07 0.00 0.43 0.00 0.00 52.55 53.00 3n4z s ASP 87 Cb 0.07 0.47 0.32 0.00 -0.30 0.00 0.00 42.92 43.48 3n4z s ASP 87 CO 0.82 -0.29 1.23 -0.81 -0.17 0.00 0.00 175.17 175.95 3n4z n PRO 88 N 5.33 0.01 0.00 4.34 -0.04 -1.26 0.12 135.00 143.50 3n4z n PRO 88 Ca -0.05 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3n4z n PRO 88 Cb 0.50 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3n4z n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3n4z n GLY 89 N -0.86 3.31 0.36 0.55 0.00 -1.26 -1.44 105.19 105.86 3n4z n GLY 89 Ca 0.01 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3n4z n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n4z n GLU 90 N 13.69 1.16 -1.61 1.61 1.02 -1.26 -4.86 120.64 130.39 3n4z n GLU 90 Ca 0.00 -0.73 -0.29 0.00 -0.02 0.00 0.00 57.16 56.12 3n4z n GLU 90 Cb 0.00 -1.48 0.13 0.00 -0.02 0.00 0.00 31.44 30.06 3n4z n GLU 90 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3n4z s SER 91 N -2.35 3.69 -0.36 1.62 1.04 -0.52 -4.97 113.70 111.85 3n4z s SER 91 Ca 0.27 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.69 3n4z s SER 91 Cb 0.20 -1.47 0.50 0.00 0.10 0.00 0.00 66.02 65.34 3n4z s SER 91 CO 0.47 -2.44 1.51 -2.11 0.98 0.00 0.00 173.24 171.65 3n4z n ARG 92 N -3.68 2.35 0.03 4.02 1.85 -1.26 -4.75 116.66 115.22 3n4z n ARG 92 Ca 0.07 -3.41 0.04 0.00 -1.00 0.00 0.00 57.85 53.54 3n4z n ARG 92 Cb 0.60 -2.00 0.43 0.00 -1.05 0.00 0.00 32.46 30.44 3n4z n ARG 92 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 3n4z h ILE 93 N 1.25 1.11 0.00 8.89 2.10 -1.88 -1.39 117.51 127.59 3n4z h ILE 93 Ca 0.33 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 66.00 3n4z h ILE 93 Cb 1.57 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3n4z h ILE 93 CO 0.68 0.12 0.00 0.18 -1.08 0.00 0.00 178.15 178.05 3n4z n LEU 94 N -4.45 0.00 0.25 2.19 4.77 -1.26 -1.10 117.00 117.40 3n4z n LEU 94 Ca 0.02 0.29 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 3n4z n LEU 94 Cb 0.09 -0.29 0.53 0.00 -2.33 0.00 0.00 43.42 41.43 3n4z n LEU 94 CO 0.36 -0.24 0.89 0.00 -1.33 0.00 0.00 177.39 177.07 3n4z h ALA 95 N 2.22 1.00 -0.18 -1.18 0.00 -1.65 -2.86 119.26 116.62 3n4z h ALA 95 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3n4z h ALA 95 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3n4z h ALA 95 CO 0.00 0.12 -0.24 -0.07 0.00 0.00 0.00 179.25 179.06 3n4z h LEU 96 N 0.00 0.32 0.00 0.00 -0.00 -1.32 -3.54 115.31 110.78 3n4z h LEU 96 Ca -0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 3n4z h LEU 96 Cb 0.67 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3n4z h LEU 96 CO 0.01 0.57 0.00 0.61 -0.00 0.00 0.00 178.44 179.63