#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpd s LEU 1 N 0.00 3.61 0.27 2.46 1.43 -1.26 -4.88 118.68 120.31 3bpd s LEU 1 Ca 0.00 1.86 -0.21 0.00 -1.03 0.00 0.00 54.13 54.75 3bpd s LEU 1 Cb 0.00 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.74 3bpd s LEU 1 CO 0.00 -1.75 0.78 -1.59 0.23 0.00 0.00 176.35 174.02 3bpd s LYS 2 N 5.86 1.76 2.67 1.70 -2.85 -1.25 -4.09 119.74 123.54 3bpd s LYS 2 Ca 0.93 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 3bpd s LYS 2 Cb -0.32 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3bpd s LYS 2 CO 0.35 -0.81 0.00 0.41 0.10 0.00 0.00 175.35 175.40 3bpd n GLY 3 N -0.48 -0.55 3.75 0.59 0.00 -1.26 -1.14 105.19 106.11 3bpd n GLY 3 Ca -0.05 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3bpd n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpd s LEU 4 N 0.00 4.46 0.00 0.99 1.43 -1.26 -1.15 118.68 123.15 3bpd s LEU 4 Ca 0.00 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 3bpd s LEU 4 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3bpd s LEU 4 CO 0.00 -0.39 0.00 0.54 0.23 0.00 0.00 176.35 176.73 3bpd n ARG 5 N 1.81 3.63 -3.70 1.70 5.12 0.31 -1.45 116.66 124.08 3bpd n ARG 5 Ca 0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 3bpd n ARG 5 Cb 0.43 -0.96 -0.09 0.00 -1.16 0.00 0.00 32.46 30.68 3bpd n ARG 5 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3bpd s ARG 6 N -1.93 0.60 -0.01 5.56 3.52 -1.10 -1.68 118.95 123.91 3bpd s ARG 6 Ca 0.00 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.35 3bpd s ARG 6 Cb 0.00 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 3bpd s ARG 6 CO 0.00 -0.07 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.82 3bpd s LEU 7 N 0.31 2.02 -0.28 -0.88 1.43 -0.76 -0.72 118.68 119.80 3bpd s LEU 7 Ca -0.00 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3bpd s LEU 7 Cb -0.04 -0.42 0.07 0.00 0.03 0.00 0.00 46.19 45.83 3bpd s LEU 7 CO 0.00 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.92 3bpd s VAL 8 N -0.20 2.27 -0.17 -1.59 1.01 -0.36 -1.30 120.40 120.06 3bpd s VAL 8 Ca 0.03 -1.74 -0.06 0.00 0.00 0.00 0.00 61.98 60.21 3bpd s VAL 8 Cb -0.03 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3bpd s VAL 8 CO -0.00 -0.14 0.04 -0.76 0.00 0.00 0.00 175.10 174.24 3bpd s LEU 9 N 1.08 3.74 -0.37 3.92 1.43 0.13 0.04 118.68 128.65 3bpd s LEU 9 Ca -0.05 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 3bpd s LEU 9 Cb -0.20 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3bpd s LEU 9 CO -0.05 0.20 0.67 -0.62 0.23 0.00 0.00 176.35 176.78 3bpd s ASP 10 N 0.20 6.44 -0.03 2.29 3.68 0.58 -0.80 116.67 129.03 3bpd s ASP 10 Ca 0.03 0.14 0.06 0.00 2.13 0.00 0.00 52.55 54.91 3bpd s ASP 10 Cb -0.12 -2.34 -0.01 0.00 -1.45 0.00 0.00 42.92 38.99 3bpd s ASP 10 CO 0.01 -0.65 -0.22 -0.69 0.13 0.00 0.00 175.17 173.76 3bpd s VAL 11 N 2.82 1.73 -0.06 1.11 1.01 -0.20 -0.50 120.40 126.30 3bpd s VAL 11 Ca 0.26 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3bpd s VAL 11 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3bpd s VAL 11 CO 0.16 0.49 -0.07 -0.22 0.00 0.00 0.00 175.10 175.46 3bpd s LEU 12 N -0.35 3.19 0.07 3.92 2.96 -0.43 -0.61 118.68 127.43 3bpd s LEU 12 Ca 0.04 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.70 3bpd s LEU 12 Cb -0.10 -1.70 0.06 0.00 0.50 0.00 0.00 46.19 44.95 3bpd s LEU 12 CO 0.00 0.36 0.55 -1.59 -1.32 0.00 0.00 176.35 174.35 3bpd s LYS 13 N -0.85 1.10 0.98 1.98 -2.85 -0.54 -0.89 119.74 118.68 3bpd s LYS 13 Ca 0.13 -0.28 -0.12 0.00 -1.00 0.00 0.00 55.97 54.69 3bpd s LYS 13 Cb -0.11 0.51 0.18 0.00 -2.06 0.00 0.00 37.83 36.34 3bpd s LYS 13 CO 0.02 -0.42 1.10 -1.25 0.10 0.00 0.00 175.35 174.90 3bpd s PRO 14 N -2.77 0.59 0.49 1.78 0.04 -1.26 -0.50 135.00 133.37 3bpd s PRO 14 Ca -0.03 0.48 0.19 0.00 0.04 0.00 0.00 61.00 61.67 3bpd s PRO 14 Cb -0.00 -1.76 1.23 0.00 0.04 0.00 0.00 34.50 34.00 3bpd s PRO 14 CO -0.04 -2.61 2.03 0.45 0.04 0.00 0.00 177.00 176.86 3bpd h HIS 15 N -1.80 0.16 -3.94 0.56 3.86 -1.87 -3.42 115.15 108.69 3bpd h HIS 15 Ca -0.54 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 57.99 3bpd h HIS 15 Cb 1.33 -0.05 -0.22 0.00 1.06 0.00 0.00 27.41 29.53 3bpd h HIS 15 CO 0.30 0.08 -0.78 -1.21 0.86 0.00 0.00 177.93 177.18 3bpd s GLU 16 N -5.17 2.32 0.93 2.45 0.41 -1.26 -3.88 118.70 114.51 3bpd s GLU 16 Ca -0.06 -0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 53.55 3bpd s GLU 16 Cb 0.19 -2.31 0.15 0.00 -1.78 0.00 0.00 34.13 30.38 3bpd s GLU 16 CO 0.72 0.58 1.09 -2.14 -0.49 0.00 0.00 175.26 175.03 3bpd s PRO 17 N -1.16 0.95 0.76 0.39 0.02 -1.26 -4.92 135.00 129.78 3bpd s PRO 17 Ca 0.14 0.69 -0.12 0.00 0.02 0.00 0.00 61.00 61.73 3bpd s PRO 17 Cb -0.11 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.69 3bpd s PRO 17 CO 0.04 -2.42 1.11 0.15 -0.33 0.00 0.00 177.00 175.55 3bpd s LYS 18 N -4.95 2.19 0.42 5.54 1.02 -1.25 -4.90 119.74 117.81 3bpd s LYS 18 Ca 0.64 1.33 0.09 0.00 0.02 0.00 0.00 55.97 58.05 3bpd s LYS 18 Cb -0.18 -1.88 0.90 0.00 -0.52 0.00 0.00 37.83 36.15 3bpd s LYS 18 CO 0.57 -1.71 2.04 1.79 -0.92 0.00 0.00 175.35 177.12 3bpd h THR 19 N -0.88 1.10 0.00 2.17 1.35 -1.97 -1.49 112.91 113.19 3bpd h THR 19 Ca -0.45 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3bpd h THR 19 Cb 1.25 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3bpd h THR 19 CO 0.50 0.11 0.00 0.16 -0.25 0.00 0.00 175.52 176.05 3bpd h ILE 20 N 0.41 0.00 0.18 6.82 3.07 -1.98 -0.10 117.51 125.91 3bpd h ILE 20 Ca 0.11 -0.09 -0.35 0.00 1.55 0.00 0.00 64.86 66.08 3bpd h ILE 20 Cb 0.03 0.87 0.01 0.00 -0.27 0.00 0.00 36.82 37.46 3bpd h ILE 20 CO -0.02 0.00 -1.72 0.58 -1.05 0.00 0.00 178.15 175.94 3bpd h VAL 21 N 0.00 0.97 -0.32 0.16 2.07 -1.63 -2.46 116.25 115.04 3bpd h VAL 21 Ca 0.00 -2.55 0.01 0.00 0.82 0.00 0.00 66.70 64.98 3bpd h VAL 21 Cb 0.10 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3bpd h VAL 21 CO 0.00 0.85 0.19 -0.26 0.02 0.00 0.00 177.57 178.37 3bpd h PHE 22 N 0.10 0.36 0.45 1.57 -1.00 -1.10 -1.27 116.94 116.06 3bpd h PHE 22 Ca -0.33 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.45 3bpd h PHE 22 Cb 2.09 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 41.51 3bpd h PHE 22 CO 0.10 0.22 -0.43 0.00 -1.61 0.00 0.00 178.31 176.59 3bpd h ALA 23 N 1.13 -0.96 -0.23 2.45 0.00 -1.15 -0.67 119.26 119.83 3bpd h ALA 23 Ca 0.12 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3bpd h ALA 23 Cb -0.02 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3bpd h ALA 23 CO -0.05 -1.07 -0.36 -0.07 0.00 0.00 0.00 179.25 177.69 3bpd h LEU 24 N -0.89 -1.17 -0.74 0.00 3.38 -1.24 0.90 115.31 115.56 3bpd h LEU 24 Ca -0.05 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3bpd h LEU 24 Cb 0.78 0.50 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 3bpd h LEU 24 CO -0.05 -0.37 0.43 0.11 0.09 0.00 0.00 178.44 178.65 3bpd h LYS 25 N -0.38 0.76 -0.31 1.13 1.79 -1.11 -1.44 116.57 117.01 3bpd h LYS 25 Ca 0.11 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 3bpd h LYS 25 Cb 0.57 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3bpd h LYS 25 CO -0.44 0.51 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.06 3bpd h LEU 26 N 0.79 0.68 -1.46 2.94 3.38 -0.58 -2.81 115.31 118.24 3bpd h LEU 26 Ca 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3bpd h LEU 26 Cb 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3bpd h LEU 26 CO -0.18 0.94 -0.09 0.77 0.09 0.00 0.00 178.44 179.97 3bpd h SER 27 N 0.56 0.00 0.84 -0.43 4.64 -0.16 -2.62 113.55 116.38 3bpd h SER 27 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3bpd h SER 27 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3bpd h SER 27 CO 0.07 0.09 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.38 3bpd n GLU 28 N -3.26 0.05 -1.94 4.77 1.02 -0.61 -4.80 120.64 115.87 3bpd n GLU 28 Ca -0.00 -0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.77 3bpd n GLU 28 Cb 0.33 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.29 3bpd n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bpd s LEU 29 N -2.96 3.63 0.17 -4.62 1.43 -0.99 -4.96 118.68 110.39 3bpd s LEU 29 Ca 0.15 2.44 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 3bpd s LEU 29 Cb 0.19 -4.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 3bpd s LEU 29 CO 0.56 -1.70 1.05 -1.61 0.23 0.00 0.00 176.35 174.88 3bpd s GLU 30 N -3.36 4.65 0.00 1.70 0.41 -1.26 -2.97 118.70 117.87 3bpd s GLU 30 Ca 0.78 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 3bpd s GLU 30 Cb -0.32 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 3bpd s GLU 30 CO 0.35 0.16 0.00 0.09 -0.49 0.00 0.00 175.26 175.37 3bpd n ASN 31 N 2.31 -0.13 -4.57 -0.19 5.03 -1.26 -4.93 115.26 111.52 3bpd n ASN 31 Ca 0.02 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.06 3bpd n ASN 31 Cb 0.47 -0.02 -0.08 0.00 -1.02 0.00 0.00 39.78 39.13 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3bpd s VAL 32 N -3.27 5.01 0.15 2.41 1.01 -1.16 -1.53 120.40 123.02 3bpd s VAL 32 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3bpd s VAL 32 Cb 0.00 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.25 3bpd s VAL 32 CO 0.00 -0.17 1.33 0.44 0.00 0.00 0.00 175.10 176.70 3bpd h ASP 33 N 8.38 0.23 -5.11 3.32 3.45 -1.27 -3.47 116.42 121.95 3bpd h ASP 33 Ca -0.28 -0.21 0.30 0.00 0.43 0.00 0.00 57.03 57.27 3bpd h ASP 33 Cb 1.13 -0.07 -0.15 0.00 -0.56 0.00 0.00 39.33 39.67 3bpd h ASP 33 CO 0.77 1.05 0.83 -0.83 -1.57 0.00 0.00 179.24 179.49 3bpd s GLY 34 N -4.56 -0.36 -0.02 2.75 0.00 -1.12 -5.00 107.32 99.01 3bpd s GLY 34 Ca -0.02 1.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 3bpd s GLY 34 CO 0.83 0.30 0.04 0.14 0.00 0.00 0.00 173.10 174.42 3bpd s VAL 35 N -2.40 -0.02 -0.12 1.40 1.01 -1.26 -1.82 120.40 117.20 3bpd s VAL 35 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3bpd s VAL 35 Cb 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.34 3bpd s VAL 35 CO -0.04 0.03 -0.14 0.21 0.00 0.00 0.00 175.10 175.16 3bpd s ASN 36 N 0.36 2.43 -0.23 3.32 3.84 0.43 -4.99 114.94 120.11 3bpd s ASN 36 Ca -0.03 -0.42 -0.01 0.00 0.21 0.00 0.00 52.86 52.61 3bpd s ASN 36 Cb -0.04 -1.07 0.02 0.00 -0.55 0.00 0.00 41.25 39.61 3bpd s ASN 36 CO -0.01 -0.02 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.57 3bpd s ILE 37 N 1.17 2.73 -0.17 -5.21 1.01 -1.26 -0.12 121.20 119.35 3bpd s ILE 37 Ca -0.03 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 3bpd s ILE 37 Cb -0.14 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3bpd s ILE 37 CO -0.04 0.26 0.06 -2.28 0.00 0.00 0.00 174.94 172.94 3bpd s HIS 38 N 1.32 3.26 -0.32 3.97 5.65 0.12 -4.94 115.29 124.35 3bpd s HIS 38 Ca 0.01 0.10 -0.25 0.00 0.25 0.00 0.00 55.06 55.17 3bpd s HIS 38 Cb -0.16 -2.03 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 3bpd s HIS 38 CO -0.06 0.22 0.87 -1.17 -0.65 0.00 0.00 174.74 173.95 3bpd s LEU 39 N 0.14 4.05 -0.09 8.88 2.96 -1.26 0.65 118.68 134.00 3bpd s LEU 39 Ca 0.05 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 54.57 3bpd s LEU 39 Cb -0.12 -3.20 -0.28 0.00 0.50 0.00 0.00 46.19 43.09 3bpd s LEU 39 CO 0.01 -0.71 0.51 0.28 -1.32 0.00 0.00 176.35 175.11 3bpd h SER 40 N 8.18 0.48 -3.64 3.68 0.02 -0.97 -3.48 113.55 117.82 3bpd h SER 40 Ca -0.23 -0.92 0.11 0.00 -0.84 0.00 0.00 61.79 59.91 3bpd h SER 40 Cb 1.09 -0.16 -0.25 0.00 0.14 0.00 0.00 62.40 63.22 3bpd h SER 40 CO 0.93 1.78 0.61 -0.70 -1.14 0.00 0.00 176.83 178.32 3bpd s GLU 41 N -2.55 0.46 -0.13 3.45 2.12 -0.84 -4.97 118.70 116.24 3bpd s GLU 41 Ca -0.20 0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.32 3bpd s GLU 41 Cb 0.06 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 3bpd s GLU 41 CO 0.80 -0.12 -0.05 0.42 -0.54 0.00 0.00 175.26 175.77 3bpd s ILE 42 N -0.74 3.83 0.00 -3.70 1.01 -1.26 -0.75 121.20 119.59 3bpd s ILE 42 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3bpd s ILE 42 Cb -0.02 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.81 3bpd s ILE 42 CO -0.03 0.52 0.00 0.47 0.00 0.00 0.00 174.94 175.91 3bpd n ASP 43 N 3.20 1.45 -0.22 3.58 10.43 0.24 -4.99 116.55 130.24 3bpd n ASP 43 Ca -0.18 -0.91 -0.12 0.00 2.57 0.00 0.00 54.79 56.15 3bpd n ASP 43 Cb 0.53 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.40 3bpd n ASP 43 CO 0.00 0.00 0.00 -0.61 -1.07 0.00 0.00 177.20 175.52 3bpd h GLN 44 N 0.00 -0.26 -0.08 -1.24 4.15 -2.02 -3.30 115.11 112.35 3bpd h GLN 44 Ca 0.00 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.25 3bpd h GLN 44 Cb 0.00 0.06 -0.36 0.00 0.21 0.00 0.00 27.48 27.39 3bpd h GLN 44 CO 0.00 -0.18 -0.97 0.00 -1.93 0.00 0.00 178.83 175.75 3bpd n ALA 45 N -3.14 2.54 -2.82 3.38 0.00 -1.26 -5.07 120.51 114.14 3bpd n ALA 45 Ca -0.01 -2.25 -0.09 0.00 0.00 0.00 0.00 53.44 51.08 3bpd n ALA 45 Cb 0.32 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3bpd n ALA 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3bpd s THR 46 N -0.74 0.08 0.01 0.00 -1.32 -1.24 -3.38 115.64 109.04 3bpd s THR 46 Ca 0.29 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3bpd s THR 46 Cb 0.34 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.78 3bpd s THR 46 CO -0.13 -0.36 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.29 3bpd s GLU 47 N -3.89 0.20 -0.18 7.08 2.02 0.34 0.82 118.70 125.09 3bpd s GLU 47 Ca 0.10 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 3bpd s GLU 47 Cb 0.03 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.27 3bpd s GLU 47 CO -0.06 -0.02 -0.03 -0.80 0.02 0.00 0.00 175.26 174.37 3bpd s ASN 48 N -0.83 4.67 0.05 -0.19 0.01 0.08 -1.46 114.94 117.26 3bpd s ASN 48 Ca -0.09 -0.22 0.03 0.00 -0.71 0.00 0.00 52.86 51.88 3bpd s ASN 48 Cb -0.06 -1.78 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3bpd s ASN 48 CO -0.01 0.10 -0.10 0.27 -1.51 0.00 0.00 177.10 175.85 3bpd s ILE 49 N 0.80 0.74 -0.25 0.60 -4.36 0.22 -0.26 121.20 118.70 3bpd s ILE 49 Ca -0.01 -1.11 -0.08 0.00 -0.26 0.00 0.00 60.65 59.19 3bpd s ILE 49 Cb -0.14 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 3bpd s ILE 49 CO 0.02 -0.29 0.09 -0.75 0.24 0.00 0.00 174.94 174.25 3bpd s LYS 50 N -1.55 3.76 -0.20 0.37 2.47 0.21 -1.03 119.74 123.76 3bpd s LYS 50 Ca -0.06 -0.43 -0.05 0.00 -1.56 0.00 0.00 55.97 53.87 3bpd s LYS 50 Cb -0.10 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.88 3bpd s LYS 50 CO 0.01 -0.12 0.00 0.42 0.16 0.00 0.00 175.35 175.82 3bpd s ILE 51 N 1.46 3.99 -0.21 5.43 1.01 0.02 0.16 121.20 133.06 3bpd s ILE 51 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3bpd s ILE 51 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3bpd s ILE 51 CO 0.05 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 3bpd s THR 52 N 0.99 2.92 -0.15 2.92 2.01 0.82 0.19 115.64 125.34 3bpd s THR 52 Ca 0.02 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3bpd s THR 52 Cb -0.14 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 3bpd s THR 52 CO 0.02 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.63 3bpd s ILE 53 N 1.41 2.68 0.07 1.82 1.01 -0.42 -0.43 121.20 127.35 3bpd s ILE 53 Ca 0.06 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.00 3bpd s ILE 53 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3bpd s ILE 53 CO -0.07 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.07 3bpd s LEU 54 N 0.74 3.01 0.00 2.97 2.96 -0.76 -1.83 118.68 125.78 3bpd s LEU 54 Ca -0.07 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3bpd s LEU 54 Cb -0.15 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3bpd s LEU 54 CO 0.01 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.87 3bpd n GLY 55 N 1.04 -0.61 3.16 7.98 0.00 -0.67 -0.73 105.19 115.35 3bpd n GLY 55 Ca -0.14 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 3bpd n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bpd s ASN 56 N -4.00 2.22 -1.49 1.61 3.04 -0.58 -4.51 114.94 111.23 3bpd s ASN 56 Ca 0.00 -0.36 -0.00 0.00 0.04 0.00 0.00 52.86 52.54 3bpd s ASN 56 Cb 0.00 -0.51 0.00 0.00 -1.54 0.00 0.00 41.25 39.20 3bpd s ASN 56 CO 0.00 0.18 0.18 -3.20 -3.04 0.00 0.00 177.10 171.22 3bpd n ASN 57 N 2.98 0.39 -4.75 -4.21 5.15 -0.29 -4.83 115.26 109.70 3bpd n ASN 57 Ca -0.17 -1.16 -0.38 0.00 -0.60 0.00 0.00 54.58 52.26 3bpd n ASN 57 Cb 0.53 -2.21 0.03 0.00 -0.53 0.00 0.00 39.78 37.61 3bpd n ASN 57 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3bpd s LEU 58 N -7.21 3.86 -0.56 1.20 1.43 -0.53 -4.76 118.68 112.12 3bpd s LEU 58 Ca 0.01 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.65 3bpd s LEU 58 Cb -0.01 -4.29 0.14 0.00 0.03 0.00 0.00 46.19 42.06 3bpd s LEU 58 CO 0.95 -1.49 0.50 -0.62 0.23 0.00 0.00 176.35 175.92 3bpd s ASP 59 N -1.05 6.14 0.18 2.29 3.68 -1.26 -4.39 116.67 122.26 3bpd s ASP 59 Ca 0.71 -1.91 -0.18 0.00 2.13 0.00 0.00 52.55 53.30 3bpd s ASP 59 Cb -0.38 -2.17 0.12 0.00 -1.45 0.00 0.00 42.92 39.04 3bpd s ASP 59 CO 0.45 -0.80 1.64 0.22 0.13 0.00 0.00 175.17 176.82 3bpd h TYR 60 N 8.68 -0.40 -0.33 -5.34 3.20 -1.99 -1.17 116.97 119.61 3bpd h TYR 60 Ca -0.24 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.74 3bpd h TYR 60 Cb 1.09 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.54 3bpd h TYR 60 CO 0.74 -0.25 -0.05 0.93 -1.64 0.00 0.00 178.16 177.89 3bpd h GLU 61 N -0.07 0.04 -0.58 1.82 4.39 -1.98 0.31 114.58 118.50 3bpd h GLU 61 Ca 0.21 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.98 3bpd h GLU 61 Cb 0.40 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 3bpd h GLU 61 CO -0.49 0.02 0.28 0.37 -1.16 0.00 0.00 179.01 178.03 3bpd h GLN 62 N 0.04 0.51 -0.66 2.33 4.15 -1.79 0.71 115.11 120.39 3bpd h GLN 62 Ca 0.16 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3bpd h GLN 62 Cb 0.23 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3bpd h GLN 62 CO -0.31 0.34 0.21 0.82 -1.93 0.00 0.00 178.83 177.95 3bpd h ILE 63 N 0.52 1.25 -0.51 2.39 2.04 -0.28 -1.76 117.51 121.16 3bpd h ILE 63 Ca 0.27 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3bpd h ILE 63 Cb 0.23 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3bpd h ILE 63 CO -0.21 0.33 0.06 0.50 0.00 0.00 0.00 178.15 178.83 3bpd h LYS 64 N 0.96 0.83 0.12 2.37 3.64 0.54 -2.27 116.57 122.75 3bpd h LYS 64 Ca 0.21 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3bpd h LYS 64 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3bpd h LYS 64 CO -0.01 0.79 -0.18 0.78 -2.27 0.00 0.00 179.45 178.56 3bpd h GLY 65 N 0.98 -0.34 0.65 5.01 0.00 0.11 0.27 103.07 109.74 3bpd h GLY 65 Ca 0.16 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.72 3bpd h GLY 65 CO 0.01 -0.17 -0.19 -2.08 0.00 0.00 0.00 176.54 174.11 3bpd h VAL 66 N -0.36 0.57 -0.57 4.60 2.07 -1.08 0.30 116.25 121.78 3bpd h VAL 66 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3bpd h VAL 66 Cb 0.37 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3bpd h VAL 66 CO -0.09 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.14 3bpd h ILE 67 N -0.35 0.85 0.00 4.57 2.04 -1.24 -2.47 117.51 120.91 3bpd h ILE 67 Ca 0.03 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 3bpd h ILE 67 Cb 0.38 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3bpd h ILE 67 CO -0.12 0.08 -0.52 -0.33 0.00 0.00 0.00 178.15 177.26 3bpd h GLU 68 N 0.44 0.00 -1.67 2.37 5.08 -0.56 -0.39 114.58 119.85 3bpd h GLU 68 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3bpd h GLU 68 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3bpd h GLU 68 CO -0.24 0.52 0.00 -0.25 -1.00 0.00 0.00 179.01 178.04 3bpd n ASP 69 N -3.51 2.04 0.00 1.42 8.00 0.10 -4.36 116.55 120.24 3bpd n ASP 69 Ca 0.00 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3bpd n ASP 69 Cb 0.62 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3bpd n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bpd n GLY 71 N 1.10 0.47 3.93 0.44 0.00 -1.14 -5.09 105.19 104.90 3bpd n GLY 71 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3bpd n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bpd s GLY 72 N -0.21 1.55 -0.02 -0.02 0.00 -0.17 -4.39 107.32 104.06 3bpd s GLY 72 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3bpd s GLY 72 CO 0.00 -0.58 -0.11 0.54 0.00 0.00 0.00 173.10 172.95 3bpd s VAL 73 N -2.74 0.93 -0.52 1.40 0.11 -0.07 -3.77 120.40 115.74 3bpd s VAL 73 Ca 0.50 -0.47 -0.23 0.00 -2.93 0.00 0.00 61.98 58.84 3bpd s VAL 73 Cb -0.10 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3bpd s VAL 73 CO 0.42 0.27 0.85 -0.63 -3.33 0.00 0.00 175.10 172.68 3bpd s ILE 74 N -0.05 4.54 0.15 7.04 1.01 -1.26 -1.32 121.20 131.31 3bpd s ILE 74 Ca 0.01 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3bpd s ILE 74 Cb -0.07 -4.44 -0.17 0.00 0.01 0.00 0.00 42.46 37.79 3bpd s ILE 74 CO 0.00 -0.95 1.34 0.45 0.00 0.00 0.00 174.94 175.78 3bpd h HIS 75 N 9.17 0.24 -1.52 3.97 3.86 -1.16 -3.48 115.15 126.23 3bpd h HIS 75 Ca -0.26 -0.14 0.11 0.00 -1.16 0.00 0.00 60.37 58.92 3bpd h HIS 75 Cb 1.08 -0.02 -0.23 0.00 1.06 0.00 0.00 27.41 29.30 3bpd h HIS 75 CO 0.85 0.99 0.61 -1.54 0.86 0.00 0.00 177.93 179.70 3bpd s SER 76 N -6.91 -0.32 -0.48 2.45 1.04 -1.15 -5.01 113.70 103.33 3bpd s SER 76 Ca -0.02 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.56 3bpd s SER 76 Cb 0.10 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.54 3bpd s SER 76 CO 0.83 -0.31 0.53 -0.69 0.98 0.00 0.00 173.24 174.58 3bpd s VAL 77 N -1.22 5.00 -0.30 5.02 1.01 -1.26 -0.31 120.40 128.35 3bpd s VAL 77 Ca 0.00 -0.58 0.21 0.00 0.00 0.00 0.00 61.98 61.61 3bpd s VAL 77 Cb -0.01 -4.20 0.13 0.00 0.00 0.00 0.00 36.38 32.30 3bpd s VAL 77 CO -0.00 -0.67 1.30 0.44 0.00 0.00 0.00 175.10 176.17 3bpd h ASP 78 N 8.88 0.00 -4.33 3.32 3.32 -0.75 -3.47 116.42 123.40 3bpd h ASP 78 Ca -0.27 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 3bpd h ASP 78 Cb 1.10 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.44 3bpd h ASP 78 CO 0.91 0.12 -0.06 -0.70 -1.72 0.00 0.00 179.24 177.79 3bpd s GLU 79 N -3.21 0.72 -0.00 3.56 2.12 -1.16 -4.93 118.70 115.81 3bpd s GLU 79 Ca 0.03 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.86 3bpd s GLU 79 Cb 0.07 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.81 3bpd s GLU 79 CO 0.74 -0.14 -0.01 0.08 -0.54 0.00 0.00 175.26 175.38 3bpd s VAL 80 N -0.28 0.10 -0.05 3.70 1.01 -1.26 -1.22 120.40 122.40 3bpd s VAL 80 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3bpd s VAL 80 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.27 3bpd s VAL 80 CO 0.03 0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 3bpd s VAL 81 N -0.03 0.91 -0.01 2.92 1.01 0.10 -4.95 120.40 120.35 3bpd s VAL 81 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3bpd s VAL 81 Cb -0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3bpd s VAL 81 CO -0.00 0.29 0.04 0.00 0.00 0.00 0.00 175.10 175.43 3bpd s ALA 82 N 0.53 -0.08 0.00 5.51 0.00 -1.26 0.12 121.76 126.58 3bpd s ALA 82 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3bpd s ALA 82 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3bpd s ALA 82 CO 0.02 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3bpd n GLY 83 N 2.50 0.56 0.09 0.00 0.00 -0.30 -4.83 105.19 103.21 3bpd n GLY 83 Ca -0.16 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 3bpd n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bpd h LYS 84 N 4.85 0.15 -5.64 1.61 1.57 -1.90 -3.33 116.57 113.88 3bpd h LYS 84 Ca 0.00 -0.25 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 3bpd h LYS 84 Cb 0.00 0.09 -0.25 0.00 0.08 0.00 0.00 32.23 32.15 3bpd h LYS 84 CO 0.00 1.02 -0.75 0.42 -0.57 0.00 0.00 179.45 179.56 3bpd s ILE 85 N -2.65 3.15 -0.74 1.86 1.01 -1.26 -4.87 121.20 117.70 3bpd s ILE 85 Ca -0.05 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 3bpd s ILE 85 Cb 0.08 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 3bpd s ILE 85 CO 0.85 0.54 1.76 -0.63 0.00 0.00 0.00 174.94 177.46 3bpd s ILE 86 N -0.01 3.48 -0.13 2.92 -1.09 -1.26 -4.85 121.20 120.26 3bpd s ILE 86 Ca -0.03 0.01 -0.24 0.00 -2.23 0.00 0.00 60.65 58.16 3bpd s ILE 86 Cb -0.14 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 3bpd s ILE 86 CO 0.04 -1.15 0.76 -0.69 -1.23 0.00 0.00 174.94 172.67 3bpd s VAL 87 N 8.48 4.96 0.62 2.92 1.01 -1.26 -5.07 120.40 132.06 3bpd s VAL 87 Ca 0.61 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 64.03 3bpd s VAL 87 Cb -0.09 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3bpd s VAL 87 CO 0.12 0.12 0.97 -1.61 0.00 0.00 0.00 175.10 174.70 3bpd s GLU 88 N 1.62 3.04 -0.04 2.72 0.41 -1.26 -4.97 118.70 120.21 3bpd s GLU 88 Ca 0.37 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.89 3bpd s GLU 88 Cb -0.17 -2.18 -0.02 0.00 -1.78 0.00 0.00 34.13 29.98 3bpd s GLU 88 CO 0.15 -0.75 0.97 0.45 -0.49 0.00 0.00 175.26 175.59 3bpd s SER 89 N -4.29 7.30 -0.22 -0.19 0.15 -1.26 -5.01 113.70 110.18 3bpd s SER 89 Ca 0.55 1.58 -0.28 0.00 0.70 0.00 0.00 55.95 58.50 3bpd s SER 89 Cb -0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3bpd s SER 89 CO 0.48 -0.31 0.96 -0.69 1.20 0.00 0.00 173.24 174.88 3bpd s VAL 90 N 1.34 4.75 -1.35 4.45 1.01 -1.26 -5.32 120.40 124.02 3bpd s VAL 90 Ca 0.50 1.87 0.11 0.00 0.00 0.00 0.00 61.98 64.46 3bpd s VAL 90 Cb -0.20 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.02 3bpd s VAL 90 CO 0.24 -0.11 0.84 -1.84 0.00 0.00 0.00 175.10 174.23