#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4y s ASP 2 N 0.00 5.62 0.08 4.52 -1.08 -1.26 -4.86 116.67 119.70 3n4y s ASP 2 Ca 0.00 -1.12 -0.29 0.00 -0.52 0.00 0.00 52.55 50.62 3n4y s ASP 2 Cb 0.00 -2.57 -0.13 0.00 -1.46 0.00 0.00 42.92 38.77 3n4y s ASP 2 CO 0.00 -2.33 1.46 0.15 0.52 0.00 0.00 175.17 174.97 3n4y h PHE 3 N 10.46 -1.27 -0.48 -5.34 3.57 -1.99 0.38 116.94 122.27 3n4y h PHE 3 Ca 0.16 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.79 3n4y h PHE 3 Cb 0.99 0.53 -0.09 0.00 2.79 0.00 0.00 35.95 40.17 3n4y h PHE 3 CO 1.25 -0.51 -0.14 0.00 -2.23 0.00 0.00 178.31 176.67 3n4y h ALA 4 N -0.76 0.27 0.23 2.41 0.00 -1.99 0.51 119.26 119.93 3n4y h ALA 4 Ca -0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3n4y h ALA 4 Cb 0.65 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3n4y h ALA 4 CO -0.21 -0.47 -0.11 0.35 0.00 0.00 0.00 179.25 178.80 3n4y h PHE 5 N -0.03 -0.29 -0.51 0.00 3.57 -1.88 -2.09 116.94 115.71 3n4y h PHE 5 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3n4y h PHE 5 Cb 0.38 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3n4y h PHE 5 CO -0.43 -0.11 0.13 0.93 -2.23 0.00 0.00 178.31 176.60 3n4y h GLU 6 N -0.41 0.78 0.10 1.11 4.39 0.42 0.14 114.58 121.10 3n4y h GLU 6 Ca -0.03 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3n4y h GLU 6 Cb 0.31 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3n4y h GLU 6 CO 0.05 0.70 -0.08 1.25 -1.16 0.00 0.00 179.01 179.77 3n4y h LEU 7 N 0.75 -0.21 -0.43 1.33 6.46 0.09 -0.02 115.31 123.28 3n4y h LEU 7 Ca 0.17 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3n4y h LEU 7 Cb 0.27 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 3n4y h LEU 7 CO -0.00 -0.13 0.27 0.03 -0.62 0.00 0.00 178.44 177.98 3n4y h ARG 8 N -0.19 0.57 -0.39 1.25 3.08 -0.74 -0.16 114.38 117.80 3n4y h ARG 8 Ca -0.00 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3n4y h ARG 8 Cb 0.18 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 3n4y h ARG 8 CO -0.01 0.41 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.06 3n4y h LYS 9 N 0.57 0.08 -0.05 0.04 3.11 -0.57 0.46 116.57 120.21 3n4y h LYS 9 Ca 0.15 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.94 3n4y h LYS 9 Cb -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 3n4y h LYS 9 CO -0.03 0.05 -0.20 0.00 -2.81 0.00 0.00 179.45 176.46 3n4y h ALA 10 N 1.35 1.57 -0.34 5.00 0.00 -0.69 0.41 119.26 126.56 3n4y h ALA 10 Ca 0.19 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3n4y h ALA 10 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3n4y h ALA 10 CO -0.33 0.32 -0.06 0.37 0.00 0.00 0.00 179.25 179.54 3n4y h GLN 11 N 0.08 0.64 0.00 0.00 4.15 0.41 0.56 115.11 120.96 3n4y h GLN 11 Ca 0.01 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3n4y h GLN 11 Cb 0.41 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3n4y h GLN 11 CO 0.03 0.80 -0.37 -0.44 -1.93 0.00 0.00 178.83 176.92 3n4y h ASP 12 N 0.43 0.00 0.00 -0.69 3.32 0.47 -3.38 116.42 116.57 3n4y h ASP 12 Ca 0.09 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3n4y h ASP 12 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3n4y h ASP 12 CO 0.03 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.92 3n4y n THR 13 N -2.61 0.00 0.00 0.35 -2.24 0.14 -5.06 114.28 104.85 3n4y n THR 13 Ca 0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3n4y n THR 13 Cb 0.49 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3n4y n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4y n GLY 14 N 0.33 4.10 2.98 3.38 0.00 0.18 -4.25 105.19 111.91 3n4y n GLY 14 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3n4y n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n4y s LYS 15 N 4.29 0.33 0.01 1.61 2.47 0.25 -4.87 119.74 123.82 3n4y s LYS 15 Ca 0.00 0.63 0.08 0.00 -1.56 0.00 0.00 55.97 55.13 3n4y s LYS 15 Cb 0.00 -0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.03 3n4y s LYS 15 CO 0.00 -0.55 -0.25 0.96 0.16 0.00 0.00 175.35 175.67 3n4y s ILE 16 N 2.55 2.01 -0.13 5.43 -4.36 -1.26 -0.35 121.20 125.09 3n4y s ILE 16 Ca 0.09 -1.18 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 3n4y s ILE 16 Cb -0.15 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.88 3n4y s ILE 16 CO -0.15 0.47 -0.21 -0.69 0.24 0.00 0.00 174.94 174.61 3n4y s VAL 17 N -0.67 2.28 0.07 8.37 1.01 0.09 -4.94 120.40 126.60 3n4y s VAL 17 Ca 0.10 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3n4y s VAL 17 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3n4y s VAL 17 CO 0.00 0.54 0.17 -0.04 0.00 0.00 0.00 175.10 175.78 3n4y s MET 18 N 0.60 3.28 0.00 2.72 1.00 -1.26 -0.86 119.30 124.78 3n4y s MET 18 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 55.69 55.06 3n4y s MET 18 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 34.83 31.72 3n4y s MET 18 CO 0.03 0.59 0.00 0.41 0.00 0.00 0.00 175.02 176.06 3n4y n GLY 19 N 0.31 2.71 0.28 -0.03 0.00 -0.45 -4.55 105.19 103.46 3n4y n GLY 19 Ca -0.06 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 3n4y n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4y h ALA 20 N 0.00 0.87 0.57 4.61 0.00 -1.93 -2.46 119.26 120.92 3n4y h ALA 20 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3n4y h ALA 20 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3n4y h ALA 20 CO 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 3n4y h ARG 21 N 0.80 -0.77 -0.71 0.00 3.08 -1.95 -1.24 114.38 113.58 3n4y h ARG 21 Ca 0.13 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3n4y h ARG 21 Cb 0.65 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3n4y h ARG 21 CO 0.05 -0.51 0.37 0.87 -1.07 0.00 0.00 179.97 179.67 3n4y h LYS 22 N -0.80 0.99 -0.23 0.04 1.57 -1.80 -0.38 116.57 115.96 3n4y h LYS 22 Ca -0.07 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3n4y h LYS 22 Cb 0.63 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3n4y h LYS 22 CO 0.11 0.74 -0.03 0.77 -0.57 0.00 0.00 179.45 180.47 3n4y h SER 23 N 0.99 0.43 -0.89 0.86 0.02 -1.32 0.72 113.55 114.36 3n4y h SER 23 Ca 0.25 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3n4y h SER 23 Cb 0.06 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 3n4y h SER 23 CO -0.04 0.67 0.58 0.40 -1.14 0.00 0.00 176.83 177.30 3n4y h ILE 24 N 0.17 1.16 -0.74 3.27 2.04 -1.05 -0.14 117.51 122.23 3n4y h ILE 24 Ca 0.06 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3n4y h ILE 24 Cb 0.47 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3n4y h ILE 24 CO 0.02 0.21 0.46 -0.61 0.00 0.00 0.00 178.15 178.23 3n4y h GLN 25 N 1.13 0.99 0.00 2.37 4.15 -0.55 -1.51 115.11 121.69 3n4y h GLN 25 Ca 0.35 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.61 3n4y h GLN 25 Cb -0.02 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3n4y h GLN 25 CO -0.11 0.68 -0.38 1.88 -1.93 0.00 0.00 178.83 178.97 3n4y h TYR 26 N 1.00 0.00 0.40 3.99 0.05 -0.60 -2.51 116.97 119.30 3n4y h TYR 26 Ca 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.03 3n4y h TYR 26 Cb -0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3n4y h TYR 26 CO -0.01 0.38 -0.19 0.00 -1.05 0.00 0.00 178.16 177.28 3n4y h ALA 27 N 1.62 -0.53 0.00 3.88 0.00 -0.60 0.22 119.26 123.85 3n4y h ALA 27 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3n4y h ALA 27 Cb 1.18 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3n4y h ALA 27 CO 0.05 -0.62 -0.21 1.57 0.00 0.00 0.00 179.25 180.04 3n4y h LYS 28 N -0.89 0.00 -0.03 0.00 5.09 -1.34 0.77 116.57 120.17 3n4y h LYS 28 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.69 3n4y h LYS 28 Cb 0.55 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.88 3n4y h LYS 28 CO 0.09 0.21 0.00 0.00 -2.09 0.00 0.00 179.45 177.66 3n4y n MET 29 N -3.97 1.81 -0.97 0.07 3.85 -0.95 -4.94 117.12 112.02 3n4y n MET 29 Ca -0.02 -1.18 0.00 0.00 -1.00 0.00 0.00 57.70 55.50 3n4y n MET 29 Cb 0.29 -1.47 0.00 0.00 -1.05 0.00 0.00 33.22 30.99 3n4y n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3n4y n GLY 30 N 1.21 0.04 0.10 3.17 0.00 0.26 -4.81 105.19 105.16 3n4y n GLY 30 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3n4y n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n4y n GLY 31 N 0.50 -1.40 3.82 -0.02 0.00 0.57 -4.77 105.19 103.88 3n4y n GLY 31 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3n4y n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4y s ALA 32 N -3.19 3.64 -0.22 4.61 0.00 -0.97 -4.68 121.76 120.96 3n4y s ALA 32 Ca 0.07 -0.12 0.21 0.00 0.00 0.00 0.00 51.96 52.12 3n4y s ALA 32 Cb 0.11 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 3n4y s ALA 32 CO 0.46 0.42 1.02 0.87 0.00 0.00 0.00 175.76 178.52 3n4y h LYS 33 N 4.79 0.00 -1.75 0.00 6.56 0.08 -3.48 116.57 122.77 3n4y h LYS 33 Ca -0.50 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.15 3n4y h LYS 33 Cb 1.21 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.66 3n4y h LYS 33 CO 0.63 0.06 0.48 -1.17 -2.06 0.00 0.00 179.45 177.39 3n4y s LEU 34 N -5.47 -0.42 -0.00 2.94 2.96 -1.21 -4.49 118.68 112.99 3n4y s LEU 34 Ca -0.01 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 3n4y s LEU 34 Cb 0.09 2.00 -0.02 0.00 0.50 0.00 0.00 46.19 48.77 3n4y s LEU 34 CO 0.79 -0.43 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.67 3n4y s ILE 35 N -1.45 1.67 -0.07 6.68 1.10 -0.04 -0.47 121.20 128.63 3n4y s ILE 35 Ca -0.02 -0.97 0.04 0.00 -0.51 0.00 0.00 60.65 59.19 3n4y s ILE 35 Cb -0.00 -1.40 -0.02 0.00 0.15 0.00 0.00 42.46 41.19 3n4y s ILE 35 CO 0.01 0.41 -0.19 -0.63 -2.11 0.00 0.00 174.94 172.44 3n4y s ILE 36 N -0.56 2.64 -0.04 2.00 1.01 0.84 -1.15 121.20 125.93 3n4y s ILE 36 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3n4y s ILE 36 Cb -0.08 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3n4y s ILE 36 CO -0.00 0.57 -0.10 0.54 0.00 0.00 0.00 174.94 175.94 3n4y s VAL 37 N -0.31 0.94 0.12 2.92 0.11 -0.99 -0.51 120.40 122.67 3n4y s VAL 37 Ca 0.02 -0.41 -0.31 0.00 -2.93 0.00 0.00 61.98 58.35 3n4y s VAL 37 Cb -0.13 -0.85 -0.09 0.00 -1.53 0.00 0.00 36.38 33.78 3n4y s VAL 37 CO 0.02 0.30 1.57 0.00 -3.33 0.00 0.00 175.10 173.66 3n4y s ALA 38 N 0.43 3.72 0.11 1.54 0.00 -0.24 -1.44 121.76 125.87 3n4y s ALA 38 Ca -0.08 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 3n4y s ALA 38 Cb -0.12 -3.64 0.17 0.00 0.00 0.00 0.00 23.12 19.53 3n4y s ALA 38 CO 0.02 -0.88 0.65 -2.13 0.00 0.00 0.00 175.76 173.42 3n4y n ARG 39 N 4.60 -0.05 -1.01 0.00 0.63 -0.36 0.10 116.66 120.56 3n4y n ARG 39 Ca 0.14 0.65 -0.03 0.00 -0.92 0.00 0.00 57.85 57.69 3n4y n ARG 39 Cb 0.40 -0.97 0.33 0.00 0.45 0.00 0.00 32.46 32.68 3n4y n ARG 39 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3n4y n ASN 40 N -4.66 5.10 -4.67 6.15 6.94 -1.26 -4.97 115.26 117.90 3n4y n ASN 40 Ca 0.06 -3.16 -0.41 0.00 -0.02 0.00 0.00 54.58 51.04 3n4y n ASN 40 Cb 0.20 -0.74 0.01 0.00 -2.36 0.00 0.00 39.78 36.89 3n4y n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3n4y n ALA 41 N 0.03 0.84 -1.77 -2.53 0.00 0.28 -4.80 120.51 112.57 3n4y n ALA 41 Ca 0.39 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.67 3n4y n ALA 41 Cb 1.36 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3n4y n ALA 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3n4y s ARG 42 N -2.09 4.15 0.41 0.00 3.52 -1.26 -4.59 118.95 119.08 3n4y s ARG 42 Ca 0.61 2.52 0.21 0.00 -0.13 0.00 0.00 55.73 58.94 3n4y s ARG 42 Cb -0.54 -3.69 1.18 0.00 -1.56 0.00 0.00 34.95 30.35 3n4y s ARG 42 CO 0.58 -0.83 1.73 -1.35 -0.81 0.00 0.00 175.30 174.62 3n4y h PRO 43 N 8.84 0.31 -0.08 5.12 0.11 -1.97 0.74 132.00 145.06 3n4y h PRO 43 Ca -0.45 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 3n4y h PRO 43 Cb 1.21 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.27 3n4y h PRO 43 CO 0.94 0.20 -0.90 0.38 -0.21 0.00 0.00 178.00 178.41 3n4y h ASP 44 N 0.31 0.93 -0.27 -2.05 -0.00 -2.00 -1.55 116.42 111.81 3n4y h ASP 44 Ca 0.65 -0.67 -0.13 0.00 -0.00 0.00 0.00 57.03 56.88 3n4y h ASP 44 Cb 1.77 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.33 40.81 3n4y h ASP 44 CO -0.33 1.48 -0.33 0.40 -0.00 0.00 0.00 179.24 180.45 3n4y h ILE 45 N 0.48 1.31 -0.35 4.15 2.04 -0.76 -3.13 117.51 121.25 3n4y h ILE 45 Ca -0.09 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 3n4y h ILE 45 Cb 1.54 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 3n4y h ILE 45 CO 0.18 0.48 0.04 0.50 0.00 0.00 0.00 178.15 179.35 3n4y h LYS 46 N 0.43 0.52 -0.36 2.37 3.64 0.25 -2.62 116.57 120.80 3n4y h LYS 46 Ca 0.04 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 3n4y h LYS 46 Cb 0.91 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3n4y h LYS 46 CO 0.08 0.52 -0.42 1.49 -2.27 0.00 0.00 179.45 178.85 3n4y h GLU 47 N 0.51 0.92 -0.23 1.90 4.81 -1.30 -2.02 114.58 119.16 3n4y h GLU 47 Ca 0.11 -0.51 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3n4y h GLU 47 Cb 0.28 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3n4y h GLU 47 CO 0.00 1.16 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.95 3n4y h ASP 48 N 0.74 0.45 -0.40 1.04 3.32 -1.46 -0.12 116.42 119.99 3n4y h ASP 48 Ca 0.05 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3n4y h ASP 48 Cb 1.02 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 3n4y h ASP 48 CO 0.10 0.71 0.11 0.40 -1.72 0.00 0.00 179.24 178.85 3n4y h ILE 49 N 0.19 0.84 -0.05 0.35 2.04 -1.50 -0.30 117.51 119.08 3n4y h ILE 49 Ca 0.06 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3n4y h ILE 49 Cb 0.51 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3n4y h ILE 49 CO 0.02 0.05 -0.31 -0.08 0.00 0.00 0.00 178.15 177.83 3n4y h GLU 50 N 0.26 0.08 -0.05 2.37 4.81 -1.17 -0.64 114.58 120.24 3n4y h GLU 50 Ca 0.19 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3n4y h GLU 50 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3n4y h GLU 50 CO -0.22 0.39 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.41 3n4y h TYR 51 N 0.07 0.21 -0.44 0.92 3.20 -0.39 -2.70 116.97 117.84 3n4y h TYR 51 Ca 0.01 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 3n4y h TYR 51 Cb 0.59 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3n4y h TYR 51 CO 0.00 0.72 -0.23 1.88 -1.64 0.00 0.00 178.16 178.89 3n4y h TYR 52 N -0.36 1.02 -0.17 -3.82 0.05 -0.81 0.82 116.97 113.69 3n4y h TYR 52 Ca -0.00 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.56 3n4y h TYR 52 Cb 0.71 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3n4y h TYR 52 CO 0.12 1.03 0.02 0.00 -1.05 0.00 0.00 178.16 178.28 3n4y h ALA 53 N 0.96 0.16 -0.65 3.88 0.00 -1.22 -1.42 119.26 120.97 3n4y h ALA 53 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3n4y h ALA 53 Cb 0.78 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3n4y h ALA 53 CO 0.06 -0.42 0.42 -0.09 0.00 0.00 0.00 179.25 179.22 3n4y h ARG 54 N 0.08 0.86 -0.97 0.00 2.43 -1.18 0.10 114.38 115.70 3n4y h ARG 54 Ca 0.08 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3n4y h ARG 54 Cb 0.08 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.36 3n4y h ARG 54 CO -0.12 0.58 0.62 1.25 -1.51 0.00 0.00 179.97 180.79 3n4y h LEU 55 N 0.88 0.87 -2.09 3.80 5.85 -0.54 -2.05 115.31 122.05 3n4y h LEU 55 Ca 0.24 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3n4y h LEU 55 Cb -0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3n4y h LEU 55 CO -0.05 0.47 0.00 -1.20 -0.34 0.00 0.00 178.44 177.32 3n4y n SER 56 N -4.59 3.10 -1.28 1.25 7.64 -0.56 -4.93 113.62 114.24 3n4y n SER 56 Ca 0.18 -1.95 -0.17 0.00 1.01 0.00 0.00 58.87 57.95 3n4y n SER 56 Cb 0.37 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 3n4y n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n4y n GLY 57 N 1.43 1.67 3.73 0.23 0.00 -0.17 -4.97 105.19 107.12 3n4y n GLY 57 Ca 0.19 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3n4y n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n4y s ILE 58 N -2.61 4.75 0.41 -0.61 1.01 0.17 -4.99 121.20 119.33 3n4y s ILE 58 Ca 0.00 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 62.12 3n4y s ILE 58 Cb 0.00 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 3n4y s ILE 58 CO 0.00 0.32 1.14 -2.84 0.00 0.00 0.00 174.94 173.56 3n4y s PRO 59 N 0.18 4.03 -0.09 2.79 0.02 7.37 -4.29 135.00 145.01 3n4y s PRO 59 Ca 0.41 1.75 0.02 0.00 0.02 0.00 0.00 61.00 63.20 3n4y s PRO 59 Cb -0.21 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.73 3n4y s PRO 59 CO 0.24 -0.31 -0.15 0.54 -0.33 0.00 0.00 177.00 176.99 3n4y s VAL 60 N -1.49 1.41 -0.19 3.83 0.11 -1.02 -0.86 120.40 122.19 3n4y s VAL 60 Ca 0.58 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 3n4y s VAL 60 Cb -0.28 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 3n4y s VAL 60 CO 0.35 0.42 -0.07 -0.47 -3.33 0.00 0.00 175.10 172.00 3n4y s TYR 61 N 0.87 2.92 -0.46 1.54 5.04 -0.30 -4.98 117.35 121.97 3n4y s TYR 61 Ca -0.10 -0.81 -0.27 0.00 -2.44 0.00 0.00 57.07 53.45 3n4y s TYR 61 Cb -0.15 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.18 3n4y s TYR 61 CO 0.01 -0.41 1.01 -2.00 -1.34 0.00 0.00 175.55 172.83 3n4y s GLU 62 N 1.02 3.64 0.03 4.97 2.12 -1.26 -2.34 118.70 126.89 3n4y s GLU 62 Ca -0.00 0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.39 3n4y s GLU 62 Cb -0.15 -3.91 -0.09 0.00 0.26 0.00 0.00 34.13 30.24 3n4y s GLU 62 CO -0.01 -1.27 1.97 0.34 -0.54 0.00 0.00 175.26 175.76 3n4y n PHE 63 N 7.41 2.51 -1.35 5.30 7.35 -0.52 -4.87 117.46 133.29 3n4y n PHE 63 Ca 0.09 -0.36 -0.38 0.00 -0.76 0.00 0.00 57.45 56.04 3n4y n PHE 63 Cb 0.49 -2.80 -0.02 0.00 0.35 0.00 0.00 39.48 37.50 3n4y n PHE 63 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3n4y n GLU 64 N 7.44 3.11 -3.81 -4.13 -0.58 -1.26 -1.22 120.64 120.18 3n4y n GLU 64 Ca 0.20 -2.20 -0.04 0.00 -0.42 0.00 0.00 57.16 54.70 3n4y n GLU 64 Cb 0.40 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.36 3n4y n GLU 64 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3n4y s GLY 65 N 2.82 -0.02 0.58 0.62 0.00 -1.26 -4.98 107.32 105.08 3n4y s GLY 65 Ca 0.59 -0.19 -0.06 0.00 0.00 0.00 0.00 44.72 45.06 3n4y s GLY 65 CO -0.05 0.81 0.89 -0.51 0.00 0.00 0.00 173.10 174.24 3n4y s THR 66 N -2.79 3.65 0.13 0.90 -4.23 -1.26 -2.09 115.64 109.95 3n4y s THR 66 Ca 0.16 -0.03 0.29 0.00 -1.18 0.00 0.00 61.69 60.93 3n4y s THR 66 Cb -0.03 -3.45 0.31 0.00 1.34 0.00 0.00 72.50 70.68 3n4y s THR 66 CO 0.05 -0.45 1.91 0.77 -0.54 0.00 0.00 174.62 176.36 3n4y h SER 67 N -0.15 0.00 0.28 3.99 4.64 -1.90 0.91 113.55 121.31 3n4y h SER 67 Ca -0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.63 3n4y h SER 67 Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3n4y h SER 67 CO 0.60 0.11 -0.97 -0.37 -0.87 0.00 0.00 176.83 175.34 3n4y h VAL 68 N 0.00 1.38 -0.52 0.95 -1.51 -1.91 -0.26 116.25 114.38 3n4y h VAL 68 Ca -0.00 -2.43 -0.07 0.00 -1.23 0.00 0.00 66.70 62.97 3n4y h VAL 68 Cb 0.62 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 3n4y h VAL 68 CO 0.01 0.73 0.03 -0.33 -1.23 0.00 0.00 177.57 176.78 3n4y h GLU 69 N 0.26 0.85 -0.34 5.19 5.08 -1.77 -1.44 114.58 122.41 3n4y h GLU 69 Ca -0.09 -0.22 -0.17 0.00 -1.00 0.00 0.00 59.36 57.87 3n4y h GLU 69 Cb 1.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 3n4y h GLU 69 CO 0.17 0.83 -0.46 1.25 -1.00 0.00 0.00 179.01 179.81 3n4y h LEU 70 N 0.80 0.99 -0.95 1.33 5.85 -0.86 -2.69 115.31 119.77 3n4y h LEU 70 Ca 0.16 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3n4y h LEU 70 Cb 0.44 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3n4y h LEU 70 CO 0.02 1.29 0.28 1.23 -0.34 0.00 0.00 178.44 180.91 3n4y h GLY 71 N 0.71 1.12 1.18 3.75 0.00 -1.20 -2.48 103.07 106.15 3n4y h GLY 71 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 3n4y h GLY 71 CO 0.11 0.56 -0.22 -0.84 0.00 0.00 0.00 176.54 176.14 3n4y h THR 72 N 1.02 1.27 -0.22 4.70 2.02 -1.26 0.20 112.91 120.64 3n4y h THR 72 Ca 0.24 -1.37 0.06 0.00 0.77 0.00 0.00 66.41 66.10 3n4y h THR 72 Cb 0.20 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 3n4y h THR 72 CO -0.02 0.47 -0.23 -0.07 0.37 0.00 0.00 175.52 176.04 3n4y h LEU 73 N 0.81 -0.73 0.00 2.58 4.07 -1.28 -1.17 115.31 119.59 3n4y h LEU 73 Ca 0.11 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3n4y h LEU 73 Cb 0.78 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3n4y h LEU 73 CO 0.06 -0.27 0.00 0.18 -1.08 0.00 0.00 178.44 177.33 3n4y n LEU 74 N -5.37 0.00 -2.48 1.67 7.99 -0.95 -4.82 117.00 113.04 3n4y n LEU 74 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.79 3n4y n LEU 74 Cb 0.28 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.61 3n4y n LEU 74 CO 0.16 0.00 -0.08 0.61 -1.51 0.00 0.00 177.39 176.57 3n4y n GLY 75 N 0.07 -0.38 3.88 -0.72 0.00 -0.44 -5.00 105.19 102.61 3n4y n GLY 75 Ca 0.05 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3n4y n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n4y s ARG 76 N -5.34 3.44 0.00 1.61 1.81 0.68 -4.99 118.95 116.17 3n4y s ARG 76 Ca 0.18 -0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 3n4y s ARG 76 Cb -0.08 -3.17 0.00 0.00 -0.45 0.00 0.00 34.95 31.25 3n4y s ARG 76 CO 0.22 0.76 0.38 -2.30 -0.68 0.00 0.00 175.30 173.68 3n4y n PRO 77 N 1.78 0.74 -3.68 3.54 -0.02 -1.26 -4.19 135.00 131.91 3n4y n PRO 77 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 3n4y n PRO 77 Cb 0.55 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 3n4y n PRO 77 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3n4y s HIS 78 N -1.03 -0.25 0.54 6.00 -3.43 -1.26 -5.14 115.29 110.71 3n4y s HIS 78 Ca 0.00 -0.08 -0.21 0.00 -0.80 0.00 0.00 55.06 53.97 3n4y s HIS 78 Cb 0.00 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 3n4y s HIS 78 CO 0.00 -0.98 1.26 0.95 -2.00 0.00 0.00 174.74 173.97 3n4y s THR 79 N -3.85 2.52 -0.16 -5.38 -4.23 -1.26 -4.42 115.64 98.85 3n4y s THR 79 Ca 0.07 0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3n4y s THR 79 Cb -0.02 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3n4y s THR 79 CO -0.03 -0.03 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 3n4y s VAL 80 N -1.46 1.22 -0.39 2.29 1.01 -0.20 -4.86 120.40 118.01 3n4y s VAL 80 Ca 0.71 -0.64 0.22 0.00 0.00 0.00 0.00 61.98 62.27 3n4y s VAL 80 Cb -0.34 -1.34 -0.27 0.00 0.00 0.00 0.00 36.38 34.43 3n4y s VAL 80 CO 0.40 0.20 0.69 -1.54 0.00 0.00 0.00 175.10 174.84 3n4y n SER 81 N 4.84 0.40 -3.44 3.32 3.41 -1.26 -4.31 113.62 116.58 3n4y n SER 81 Ca -0.13 -0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.06 3n4y n SER 81 Cb 0.48 1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 65.91 3n4y n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n4y s ALA 82 N -3.32 -1.62 -0.03 7.33 0.00 -1.26 -1.08 121.76 121.78 3n4y s ALA 82 Ca -0.02 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 3n4y s ALA 82 Cb 0.14 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.12 3n4y s ALA 82 CO 0.88 -0.77 0.39 -0.48 0.00 0.00 0.00 175.76 175.79 3n4y s LEU 83 N -2.72 0.52 -0.09 0.00 0.05 0.33 -1.34 118.68 115.43 3n4y s LEU 83 Ca 0.02 0.24 0.03 0.00 0.05 0.00 0.00 54.13 54.47 3n4y s LEU 83 Cb -0.01 1.54 -0.01 0.00 -2.05 0.00 0.00 46.19 45.66 3n4y s LEU 83 CO -0.12 -0.47 -0.19 0.00 -0.55 0.00 0.00 176.35 175.02 3n4y s ALA 84 N -1.25 2.39 -0.38 1.48 0.00 -0.04 -0.11 121.76 123.84 3n4y s ALA 84 Ca -0.13 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 3n4y s ALA 84 Cb -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.16 3n4y s ALA 84 CO 0.05 0.34 0.87 0.08 0.00 0.00 0.00 175.76 177.10 3n4y s VAL 85 N 0.08 4.63 -0.15 0.00 1.01 0.38 -0.73 120.40 125.62 3n4y s VAL 85 Ca -0.08 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 3n4y s VAL 85 Cb -0.15 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 3n4y s VAL 85 CO 0.05 -0.55 0.39 0.58 0.00 0.00 0.00 175.10 175.57 3n4y h VAL 86 N 5.84 0.90 -3.22 2.92 2.07 -0.96 0.65 116.25 124.44 3n4y h VAL 86 Ca -0.24 -2.30 -0.50 0.00 0.82 0.00 0.00 66.70 64.48 3n4y h VAL 86 Cb 1.08 2.50 -0.38 0.00 -1.52 0.00 0.00 31.29 32.98 3n4y h VAL 86 CO 0.96 0.61 -0.79 -0.62 0.02 0.00 0.00 177.57 177.76 3n4y s ASP 87 N -6.95 2.09 0.50 0.57 -1.08 -0.16 -4.54 116.67 107.10 3n4y s ASP 87 Ca -0.24 -0.29 0.31 0.00 -0.52 0.00 0.00 52.55 51.81 3n4y s ASP 87 Cb 0.05 -0.71 1.18 0.00 -1.46 0.00 0.00 42.92 41.98 3n4y s ASP 87 CO 0.70 -0.16 1.90 1.55 0.52 0.00 0.00 175.17 179.68 3n4y h PRO 88 N 8.22 0.00 0.00 4.34 0.14 -1.90 0.71 132.00 143.52 3n4y h PRO 88 Ca -0.25 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.89 3n4y h PRO 88 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.27 3n4y h PRO 88 CO 0.36 0.00 0.00 0.41 0.14 0.00 0.00 178.00 178.91 3n4y n GLY 89 N 0.21 2.79 0.89 1.56 0.00 -1.26 -2.53 105.19 106.84 3n4y n GLY 89 Ca 0.01 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3n4y n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n4y n GLU 90 N 13.16 2.22 -2.59 1.61 -0.58 -1.26 -4.93 120.64 128.27 3n4y n GLU 90 Ca 0.00 -1.78 -0.23 0.00 -0.42 0.00 0.00 57.16 54.72 3n4y n GLU 90 Cb 0.00 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.44 3n4y n GLU 90 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3n4y s SER 91 N -1.94 5.35 -0.32 1.62 1.04 -1.05 -5.00 113.70 113.40 3n4y s SER 91 Ca 0.31 0.26 0.05 0.00 0.48 0.00 0.00 55.95 57.05 3n4y s SER 91 Cb 0.20 -1.19 0.58 0.00 0.10 0.00 0.00 66.02 65.71 3n4y s SER 91 CO 0.31 -1.13 1.69 0.54 0.98 0.00 0.00 173.24 175.63 3n4y n ARG 92 N -2.44 2.55 0.25 4.02 1.74 -1.26 -4.65 116.66 116.87 3n4y n ARG 92 Ca 0.06 -2.48 0.11 0.00 -0.77 0.00 0.00 57.85 54.77 3n4y n ARG 92 Cb 0.59 -2.00 0.64 0.00 -1.02 0.00 0.00 32.46 30.67 3n4y n ARG 92 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3n4y h ILE 93 N 1.41 0.65 0.00 0.55 6.09 -1.88 -0.72 117.51 123.62 3n4y h ILE 93 Ca 0.39 -0.71 -0.01 0.00 -1.37 0.00 0.00 64.86 63.17 3n4y h ILE 93 Cb 2.33 1.45 -0.00 0.00 0.47 0.00 0.00 36.82 41.07 3n4y h ILE 93 CO 0.78 0.16 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.91 3n4y h LEU 94 N 0.00 0.00 -2.04 2.19 3.38 -1.96 -2.71 115.31 114.17 3n4y h LEU 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n4y h LEU 94 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3n4y h LEU 94 CO 0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3n4y h ALA 95 N 1.96 1.00 0.00 1.53 0.00 -1.49 0.18 119.26 122.44 3n4y h ALA 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n4y h ALA 95 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3n4y h ALA 95 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3n4y n LEU 96 N -2.69 0.00 -0.03 0.00 4.77 -1.02 -2.76 117.00 115.25 3n4y n LEU 96 Ca -0.02 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 3n4y n LEU 96 Cb 0.10 -0.46 0.46 0.00 -2.33 0.00 0.00 43.42 41.19 3n4y n LEU 96 CO 0.17 -0.23 0.73 0.61 -1.33 0.00 0.00 177.39 177.34 3n4y n GLY 97 N 0.04 -1.24 0.00 -0.72 0.00 0.65 -4.74 105.19 99.17 3n4y n GLY 97 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3n4y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93