#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpd s LYS 2 N 0.00 1.17 2.51 3.23 -2.85 -1.25 -3.73 119.74 118.82 3bpd s LYS 2 Ca 0.00 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3bpd s LYS 2 Cb 0.00 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 3bpd s LYS 2 CO 0.00 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.41 3bpd n GLY 3 N -0.23 -0.64 3.71 0.59 0.00 -1.26 -1.56 105.19 105.79 3bpd n GLY 3 Ca -0.10 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 4.36 -0.06 0.99 1.43 -1.26 -1.38 118.68 122.75 3bpd s LEU 4 Ca 0.00 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 55.44 3bpd s LEU 4 Cb 0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 3bpd s LEU 4 CO 0.00 -0.71 -0.02 0.54 0.23 0.00 0.00 176.35 176.39 3bpd n ARG 5 N 4.49 1.52 -3.88 1.70 5.12 1.00 -0.45 116.66 126.17 3bpd n ARG 5 Ca 0.13 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 3bpd n ARG 5 Cb 0.42 -1.14 -0.13 0.00 -1.16 0.00 0.00 32.46 30.45 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 -2.14 0.13 -0.01 5.56 3.52 -0.97 -0.42 118.95 124.63 3bpd s ARG 6 Ca -0.06 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 3bpd s ARG 6 Cb 0.02 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 3bpd s ARG 6 CO 0.19 -0.02 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.13 3bpd s LEU 7 N -0.32 1.90 -0.20 -0.88 1.43 -0.77 -0.68 118.68 119.16 3bpd s LEU 7 Ca -0.04 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3bpd s LEU 7 Cb -0.02 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 46.08 3bpd s LEU 7 CO -0.00 0.02 -0.17 -0.69 0.23 0.00 0.00 176.35 175.74 3bpd s VAL 8 N 0.07 2.01 -0.05 -1.59 1.01 -0.29 -1.24 120.40 120.31 3bpd s VAL 8 Ca -0.00 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3bpd s VAL 8 Cb -0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3bpd s VAL 8 CO -0.00 0.39 -0.15 -0.76 0.00 0.00 0.00 175.10 174.57 3bpd s LEU 9 N 1.28 2.68 -0.43 3.92 1.43 0.33 -0.01 118.68 127.87 3bpd s LEU 9 Ca 0.02 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3bpd s LEU 9 Cb -0.15 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3bpd s LEU 9 CO -0.11 0.34 0.43 -0.62 0.23 0.00 0.00 176.35 176.62 3bpd s ASP 10 N -0.68 6.18 0.03 2.29 3.68 -0.58 -1.36 116.67 126.23 3bpd s ASP 10 Ca 0.10 -0.78 0.09 0.00 2.13 0.00 0.00 52.55 54.09 3bpd s ASP 10 Cb -0.11 -2.22 -0.03 0.00 -1.45 0.00 0.00 42.92 39.12 3bpd s ASP 10 CO 0.01 -0.59 -0.25 -0.69 0.13 0.00 0.00 175.17 173.77 3bpd s VAL 11 N 2.06 2.21 -0.10 1.11 1.01 -0.63 0.05 120.40 126.10 3bpd s VAL 11 Ca 0.10 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3bpd s VAL 11 Cb -0.18 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3bpd s VAL 11 CO 0.12 0.41 -0.16 -0.22 0.00 0.00 0.00 175.10 175.26 3bpd s LEU 12 N -1.12 2.60 0.03 3.92 2.96 -0.51 -0.93 118.68 125.63 3bpd s LEU 12 Ca 0.12 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 3bpd s LEU 12 Cb -0.10 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.06 3bpd s LEU 12 CO 0.02 0.22 0.30 -1.59 -1.32 0.00 0.00 176.35 173.98 3bpd s LYS 13 N 0.01 0.78 0.81 1.98 -2.85 -1.00 -0.85 119.74 118.63 3bpd s LYS 13 Ca -0.05 -0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 54.36 3bpd s LYS 13 Cb -0.14 0.34 0.08 0.00 -2.06 0.00 0.00 37.83 36.04 3bpd s LYS 13 CO 0.04 -0.24 1.10 -1.25 0.10 0.00 0.00 175.35 175.10 3bpd s PRO 14 N -2.31 1.96 0.56 1.78 0.04 -1.26 -1.80 135.00 133.98 3bpd s PRO 14 Ca -0.07 0.66 0.32 0.00 0.04 0.00 0.00 61.00 61.96 3bpd s PRO 14 Cb -0.02 -1.90 1.46 0.00 0.04 0.00 0.00 34.50 34.08 3bpd s PRO 14 CO -0.02 -1.71 1.81 0.45 0.04 0.00 0.00 177.00 177.57 3bpd h HIS 15 N -1.16 0.00 -4.15 0.56 3.86 -1.86 -3.40 115.15 109.00 3bpd h HIS 15 Ca -0.47 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.05 3bpd h HIS 15 Cb 1.27 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 29.46 3bpd h HIS 15 CO 0.46 0.00 -0.84 -1.21 0.86 0.00 0.00 177.93 177.20 3bpd s GLU 16 N -4.80 2.46 0.95 2.45 8.01 -1.26 -3.96 118.70 122.55 3bpd s GLU 16 Ca -0.05 -0.83 -0.15 0.00 0.01 0.00 0.00 54.97 53.95 3bpd s GLU 16 Cb 0.19 -2.23 0.19 0.00 -4.31 0.00 0.00 34.13 27.97 3bpd s GLU 16 CO 0.69 0.50 1.31 -1.25 0.01 0.00 0.00 175.26 176.51 3bpd s PRO 17 N -0.45 0.75 0.54 0.39 0.04 -1.26 -4.91 135.00 130.11 3bpd s PRO 17 Ca 0.05 -0.40 -0.19 0.00 0.04 0.00 0.00 61.00 60.50 3bpd s PRO 17 Cb -0.12 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3bpd s PRO 17 CO 0.01 -2.34 1.12 0.15 0.04 0.00 0.00 177.00 175.98 3bpd s LYS 18 N -5.85 3.39 0.53 4.56 1.02 -1.25 -4.90 119.74 117.23 3bpd s LYS 18 Ca 0.73 1.56 0.27 0.00 0.02 0.00 0.00 55.97 58.55 3bpd s LYS 18 Cb -0.04 -2.01 1.41 0.00 -0.52 0.00 0.00 37.83 36.66 3bpd s LYS 18 CO 0.53 -0.81 1.97 1.79 -0.92 0.00 0.00 175.35 177.90 3bpd h THR 19 N 1.18 0.69 -0.79 2.17 1.35 -1.96 0.29 112.91 115.83 3bpd h THR 19 Ca -0.50 -0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.53 3bpd h THR 19 Cb 1.26 0.68 -0.05 0.00 -1.73 0.00 0.00 68.15 68.30 3bpd h THR 19 CO 0.57 0.00 0.53 -0.29 -0.25 0.00 0.00 175.52 176.08 3bpd h ILE 20 N 0.01 0.73 0.05 6.82 6.09 -2.00 0.20 117.51 129.41 3bpd h ILE 20 Ca 0.30 -0.11 -0.27 0.00 -1.37 0.00 0.00 64.86 63.41 3bpd h ILE 20 Cb 1.19 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 38.82 3bpd h ILE 20 CO -0.01 0.06 -1.41 0.58 -3.07 0.00 0.00 178.15 174.30 3bpd h VAL 21 N 0.33 1.25 0.75 2.19 2.07 -0.78 -2.72 116.25 119.34 3bpd h VAL 21 Ca 0.39 -2.97 -0.04 0.00 0.82 0.00 0.00 66.70 64.90 3bpd h VAL 21 Cb 1.04 2.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3bpd h VAL 21 CO -0.11 0.78 -0.36 -0.26 0.02 0.00 0.00 177.57 177.63 3bpd h PHE 22 N 0.03 -0.93 -0.83 1.57 -1.00 -0.95 0.68 116.94 115.51 3bpd h PHE 22 Ca -0.18 -0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.73 3bpd h PHE 22 Cb 1.93 0.31 -0.10 0.00 3.61 0.00 0.00 35.95 41.71 3bpd h PHE 22 CO 0.02 -0.56 0.40 0.00 -1.61 0.00 0.00 178.31 176.57 3bpd h ALA 23 N -1.04 1.24 -0.24 2.45 0.00 -1.17 -0.26 119.26 120.23 3bpd h ALA 23 Ca -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3bpd h ALA 23 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3bpd h ALA 23 CO 0.17 -0.13 0.04 1.25 0.00 0.00 0.00 179.25 180.58 3bpd h LEU 24 N 0.57 0.38 0.06 0.00 5.85 -1.31 -0.50 115.31 120.36 3bpd h LEU 24 Ca 0.46 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3bpd h LEU 24 Cb 0.67 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3bpd h LEU 24 CO -0.38 0.54 -0.03 0.11 -0.34 0.00 0.00 178.44 178.34 3bpd h LYS 25 N 0.21 -0.08 -0.97 1.25 1.79 -0.17 -2.96 116.57 115.63 3bpd h LYS 25 Ca 0.07 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.66 3bpd h LYS 25 Cb 0.32 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 3bpd h LYS 25 CO 0.00 0.30 0.60 -0.07 -1.08 0.00 0.00 179.45 179.20 3bpd h LEU 26 N -0.47 0.89 -2.25 2.94 3.38 -1.11 0.14 115.31 118.82 3bpd h LEU 26 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bpd h LEU 26 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3bpd h LEU 26 CO 0.01 0.48 0.00 0.77 0.09 0.00 0.00 178.44 179.80 3bpd h SER 27 N 0.97 0.00 -0.11 -0.43 4.64 -1.02 -1.99 113.55 115.61 3bpd h SER 27 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3bpd h SER 27 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3bpd h SER 27 CO -0.26 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.08 3bpd n GLU 28 N -2.94 1.77 -2.49 4.77 1.02 0.48 -4.81 120.64 118.44 3bpd n GLU 28 Ca -0.02 -1.14 -0.34 0.00 -0.02 0.00 0.00 57.16 55.64 3bpd n GLU 28 Cb 0.14 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.75 3.82 0.00 -4.62 1.43 -0.75 -4.97 118.68 111.84 3bpd s LEU 29 Ca 0.35 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3bpd s LEU 29 Cb 0.19 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3bpd s LEU 29 CO 0.30 -0.86 0.44 -0.62 0.23 0.00 0.00 176.35 175.84 3bpd n GLU 30 N -1.05 0.00 -0.77 1.70 -0.58 -1.26 -2.53 120.64 116.15 3bpd n GLU 30 Ca 0.10 0.44 -0.15 0.00 -0.42 0.00 0.00 57.16 57.12 3bpd n GLU 30 Cb 0.52 -0.73 0.08 0.00 -0.57 0.00 0.00 31.44 30.75 3bpd n GLU 30 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3bpd n ASN 31 N -1.75 4.44 -4.52 1.62 0.23 -1.26 -4.91 115.26 109.11 3bpd n ASN 31 Ca 0.00 -2.98 -0.34 0.00 -0.53 0.00 0.00 54.58 50.73 3bpd n ASN 31 Cb 0.00 -0.80 -0.12 0.00 -2.08 0.00 0.00 39.78 36.78 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3bpd s VAL 32 N -2.10 4.10 -0.10 3.53 1.01 -1.05 -2.37 120.40 123.42 3bpd s VAL 32 Ca 0.33 -0.28 0.15 0.00 0.00 0.00 0.00 61.98 62.18 3bpd s VAL 32 Cb 0.27 -2.82 -0.21 0.00 0.00 0.00 0.00 36.38 33.63 3bpd s VAL 32 CO 0.04 0.48 0.60 0.47 0.00 0.00 0.00 175.10 176.69 3bpd n ASP 33 N 3.62 0.68 -3.58 3.32 8.00 0.45 -4.89 116.55 124.15 3bpd n ASP 33 Ca -0.17 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.60 3bpd n ASP 33 Cb 0.52 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 3bpd n ASP 33 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bpd s GLY 34 N -5.05 -0.35 -0.02 0.44 0.00 -1.03 -5.02 107.32 96.29 3bpd s GLY 34 Ca -0.05 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.92 3bpd s GLY 34 CO 0.82 0.40 0.04 0.14 0.00 0.00 0.00 173.10 174.51 3bpd s VAL 35 N -2.65 -0.06 -0.21 1.40 1.01 -1.26 -1.70 120.40 116.92 3bpd s VAL 35 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3bpd s VAL 35 Cb -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.31 3bpd s VAL 35 CO -0.05 0.09 -0.13 0.21 0.00 0.00 0.00 175.10 175.21 3bpd s ASN 36 N 1.08 3.77 -0.21 3.32 3.84 0.90 -4.96 114.94 122.67 3bpd s ASN 36 Ca -0.09 -0.80 -0.04 0.00 0.21 0.00 0.00 52.86 52.14 3bpd s ASN 36 Cb -0.13 -1.57 -0.01 0.00 -0.55 0.00 0.00 41.25 38.99 3bpd s ASN 36 CO -0.03 -0.07 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.54 3bpd s ILE 37 N 1.29 3.50 -0.12 -5.21 1.01 -1.26 0.29 121.20 120.70 3bpd s ILE 37 Ca 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3bpd s ILE 37 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3bpd s ILE 37 CO -0.09 0.43 -0.04 -2.28 0.00 0.00 0.00 174.94 172.96 3bpd s HIS 38 N 1.25 3.01 -0.36 3.97 5.65 0.76 -4.95 115.29 124.63 3bpd s HIS 38 Ca 0.03 -0.16 -0.24 0.00 0.25 0.00 0.00 55.06 54.94 3bpd s HIS 38 Cb -0.14 -1.87 0.01 0.00 -1.18 0.00 0.00 32.58 29.40 3bpd s HIS 38 CO -0.01 0.12 0.80 -1.17 -0.65 0.00 0.00 174.74 173.83 3bpd s LEU 39 N -0.10 4.11 -0.09 8.88 2.96 -1.26 0.12 118.68 133.30 3bpd s LEU 39 Ca 0.02 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3bpd s LEU 39 Cb -0.13 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 3bpd s LEU 39 CO 0.03 -0.73 0.08 0.28 -1.32 0.00 0.00 176.35 174.68 3bpd h SER 40 N 8.42 -0.06 -4.62 3.68 0.02 -1.23 -3.48 113.55 116.28 3bpd h SER 40 Ca -0.24 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3bpd h SER 40 Cb 1.09 0.01 -0.20 0.00 0.14 0.00 0.00 62.40 63.44 3bpd h SER 40 CO 0.92 0.41 -0.01 -0.70 -1.14 0.00 0.00 176.83 176.30 3bpd s GLU 41 N -1.73 0.82 -0.09 3.45 2.12 -1.08 -4.99 118.70 117.20 3bpd s GLU 41 Ca -0.01 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.69 3bpd s GLU 41 Cb 0.00 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 3bpd s GLU 41 CO 0.03 -0.20 -0.23 -1.50 -0.54 0.00 0.00 175.26 172.82 3bpd s ILE 42 N -0.70 2.23 0.00 -3.70 2.07 -1.26 0.16 121.20 120.00 3bpd s ILE 42 Ca -0.08 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 3bpd s ILE 42 Cb -0.03 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.71 3bpd s ILE 42 CO 0.05 0.56 0.00 0.47 -1.91 0.00 0.00 174.94 174.11 3bpd n ASP 43 N 3.27 0.58 -0.08 4.50 10.43 0.32 -4.96 116.55 130.61 3bpd n ASP 43 Ca -0.18 -0.58 -0.00 0.00 2.57 0.00 0.00 54.79 56.60 3bpd n ASP 43 Cb 0.53 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.77 3bpd n ASP 43 CO 0.00 0.00 0.00 0.06 -1.07 0.00 0.00 177.20 176.19 3bpd h GLN 44 N 0.00 0.71 0.00 -1.24 3.07 -2.03 -3.34 115.11 112.28 3bpd h GLN 44 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.64 3bpd h GLN 44 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.43 3bpd h GLN 44 CO 0.00 0.59 0.00 0.00 0.09 0.00 0.00 178.83 179.51 3bpd n ALA 45 N -2.46 0.65 -3.81 0.06 0.00 -1.26 -5.06 120.51 108.63 3bpd n ALA 45 Ca 0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3bpd n ALA 45 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 3bpd n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bpd n THR 46 N -0.11 0.00 -3.61 0.00 -2.24 -1.26 -3.10 114.28 103.96 3bpd n THR 46 Ca 0.00 -1.56 -0.15 0.00 -2.27 0.00 0.00 64.05 60.07 3bpd n THR 46 Cb 0.11 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 3bpd n THR 46 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3bpd s GLU 47 N -2.87 0.87 -0.19 -0.78 -1.05 -0.74 0.12 118.70 114.07 3bpd s GLU 47 Ca 0.25 0.65 -0.12 0.00 -0.15 0.00 0.00 54.97 55.60 3bpd s GLU 47 Cb 0.01 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 3bpd s GLU 47 CO 0.18 -0.18 0.22 -0.80 0.95 0.00 0.00 175.26 175.63 3bpd s ASN 48 N -0.26 6.31 0.15 0.83 0.01 0.12 -2.36 114.94 119.74 3bpd s ASN 48 Ca -0.04 0.35 0.07 0.00 -0.71 0.00 0.00 52.86 52.53 3bpd s ASN 48 Cb -0.03 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3bpd s ASN 48 CO 0.04 0.12 -0.16 0.27 -1.51 0.00 0.00 177.10 175.86 3bpd s ILE 49 N 0.54 1.58 -0.27 0.60 -4.36 -0.10 -0.66 121.20 118.53 3bpd s ILE 49 Ca 0.12 -1.90 -0.03 0.00 -0.26 0.00 0.00 60.65 58.59 3bpd s ILE 49 Cb -0.12 -1.76 0.03 0.00 1.25 0.00 0.00 42.46 41.86 3bpd s ILE 49 CO 0.02 -0.42 -0.02 -0.75 0.24 0.00 0.00 174.94 174.00 3bpd s LYS 50 N -2.93 2.80 -0.25 0.37 2.47 0.12 -1.61 119.74 120.70 3bpd s LYS 50 Ca 0.14 -1.01 -0.10 0.00 -1.56 0.00 0.00 55.97 53.44 3bpd s LYS 50 Cb -0.04 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 33.19 3bpd s LYS 50 CO 0.05 -0.45 0.14 0.42 0.16 0.00 0.00 175.35 175.67 3bpd s ILE 51 N 1.34 5.06 -0.26 5.43 1.01 -0.46 -0.17 121.20 133.15 3bpd s ILE 51 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 3bpd s ILE 51 Cb -0.17 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.93 3bpd s ILE 51 CO -0.03 0.32 -0.01 -0.89 0.00 0.00 0.00 174.94 174.33 3bpd s THR 52 N 1.37 3.36 -0.23 2.92 2.01 0.15 -0.51 115.64 124.70 3bpd s THR 52 Ca 0.07 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3bpd s THR 52 Cb -0.15 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3bpd s THR 52 CO 0.06 0.21 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.51 3bpd s ILE 53 N 1.42 2.99 -0.06 1.82 1.01 -0.38 -0.07 121.20 127.94 3bpd s ILE 53 Ca 0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3bpd s ILE 53 Cb -0.16 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3bpd s ILE 53 CO -0.02 0.33 -0.01 -0.22 0.00 0.00 0.00 174.94 175.02 3bpd s LEU 54 N 1.39 3.47 0.00 2.97 2.96 -0.69 -1.85 118.68 126.93 3bpd s LEU 54 Ca 0.03 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bpd s LEU 54 Cb -0.15 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3bpd s LEU 54 CO -0.05 0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 3bpd n GLY 55 N 1.93 -0.70 2.81 7.98 0.00 0.44 -0.41 105.19 117.23 3bpd n GLY 55 Ca -0.17 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 0.93 -1.06 1.61 3.04 -1.00 -4.47 114.94 109.99 3bpd s ASN 56 Ca 0.00 -0.05 -0.17 0.00 0.04 0.00 0.00 52.86 52.68 3bpd s ASN 56 Cb 0.00 -0.32 -0.01 0.00 -1.54 0.00 0.00 41.25 39.38 3bpd s ASN 56 CO 0.00 -0.13 0.76 -3.20 -3.04 0.00 0.00 177.10 171.49 3bpd n ASN 57 N 4.50 -5.52 -4.78 -4.21 5.15 -0.39 -4.77 115.26 105.24 3bpd n ASN 57 Ca -0.19 -0.92 -0.36 0.00 -0.60 0.00 0.00 54.58 52.51 3bpd n ASN 57 Cb 0.50 -3.33 -0.04 0.00 -0.53 0.00 0.00 39.78 36.38 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 -6.07 4.13 -0.39 1.20 1.43 0.40 -4.79 118.68 114.60 3bpd s LEU 58 Ca 0.37 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.38 3bpd s LEU 58 Cb -0.14 -4.19 0.01 0.00 0.03 0.00 0.00 46.19 41.91 3bpd s LEU 58 CO 0.86 -0.51 0.28 -0.62 0.23 0.00 0.00 176.35 176.58 3bpd s ASP 59 N -1.56 6.06 0.12 2.29 3.68 -1.26 -4.39 116.67 121.62 3bpd s ASP 59 Ca 0.58 -0.79 -0.14 0.00 2.13 0.00 0.00 52.55 54.33 3bpd s ASP 59 Cb -0.22 -2.14 -0.02 0.00 -1.45 0.00 0.00 42.92 39.08 3bpd s ASP 59 CO 0.28 -0.39 1.55 0.22 0.13 0.00 0.00 175.17 176.96 3bpd h TYR 60 N 8.58 0.80 -0.56 -5.34 3.20 -1.99 -2.54 116.97 119.13 3bpd h TYR 60 Ca -0.28 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 3bpd h TYR 60 Cb 1.13 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3bpd h TYR 60 CO 0.58 0.83 0.22 0.93 -1.64 0.00 0.00 178.16 179.07 3bpd h GLU 61 N 0.55 0.81 0.19 1.82 4.39 -1.98 0.42 114.58 120.77 3bpd h GLU 61 Ca 0.11 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3bpd h GLU 61 Cb 0.53 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3bpd h GLU 61 CO 0.03 0.67 -0.09 0.37 -1.16 0.00 0.00 179.01 178.82 3bpd h GLN 62 N 0.80 -0.25 -0.44 2.33 4.15 -1.96 -1.45 115.11 118.29 3bpd h GLN 62 Ca 0.19 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.68 3bpd h GLN 62 Cb 0.16 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3bpd h GLN 62 CO -0.02 0.04 0.15 0.82 -1.93 0.00 0.00 178.83 177.89 3bpd h ILE 63 N -0.53 0.86 -0.44 2.39 2.04 -1.25 -1.16 117.51 119.42 3bpd h ILE 63 Ca -0.03 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3bpd h ILE 63 Cb 0.40 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3bpd h ILE 63 CO 0.04 0.06 0.26 0.50 0.00 0.00 0.00 178.15 179.01 3bpd h LYS 64 N 0.32 0.59 -0.11 2.37 3.64 -0.89 -0.27 116.57 122.23 3bpd h LYS 64 Ca 0.21 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3bpd h LYS 64 Cb 0.20 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3bpd h LYS 64 CO -0.21 0.43 -0.03 0.78 -2.27 0.00 0.00 179.45 178.14 3bpd h GLY 65 N 0.66 0.23 1.54 5.01 0.00 -0.32 -1.37 103.07 108.81 3bpd h GLY 65 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.33 3bpd h GLY 65 CO -0.03 0.17 0.24 -2.08 0.00 0.00 0.00 176.54 174.85 3bpd h VAL 66 N -0.12 1.02 -0.08 4.60 2.07 -0.59 0.45 116.25 123.59 3bpd h VAL 66 Ca 0.03 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3bpd h VAL 66 Cb 0.45 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3bpd h VAL 66 CO 0.01 0.07 -0.34 0.40 0.02 0.00 0.00 177.57 177.73 3bpd h ILE 67 N 0.37 1.41 -0.15 4.57 2.04 -0.84 -3.27 117.51 121.64 3bpd h ILE 67 Ca 0.15 -1.71 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 3bpd h ILE 67 Cb 0.13 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3bpd h ILE 67 CO -0.03 0.50 -0.59 -0.33 0.00 0.00 0.00 178.15 177.70 3bpd h GLU 68 N -0.10 0.50 -2.09 2.37 5.08 -0.75 -1.77 114.58 117.82 3bpd h GLU 68 Ca -0.02 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3bpd h GLU 68 Cb 0.98 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3bpd h GLU 68 CO 0.07 0.94 0.01 -0.25 -1.00 0.00 0.00 179.01 178.78 3bpd n ASP 69 N -3.93 2.73 0.00 1.42 10.43 0.15 -4.32 116.55 123.04 3bpd n ASP 69 Ca -0.03 -1.77 0.00 0.00 2.57 0.00 0.00 54.79 55.55 3bpd n ASP 69 Cb 0.62 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.98 3bpd n ASP 69 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bpd n GLY 71 N 1.93 0.00 3.90 0.44 0.00 -1.16 -5.04 105.19 105.26 3bpd n GLY 71 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.13 1.62 0.02 -0.02 0.00 -0.67 -4.54 107.32 102.60 3bpd s GLY 72 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3bpd s GLY 72 CO 0.00 -0.21 -0.07 0.54 0.00 0.00 0.00 173.10 173.36 3bpd s VAL 73 N -3.29 0.51 -0.43 1.40 0.11 -0.03 -3.27 120.40 115.40 3bpd s VAL 73 Ca 0.58 -0.64 -0.24 0.00 -2.93 0.00 0.00 61.98 58.76 3bpd s VAL 73 Cb -0.11 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3bpd s VAL 73 CO 0.48 -0.11 0.81 -0.63 -3.33 0.00 0.00 175.10 172.33 3bpd s ILE 74 N -0.71 4.64 0.07 7.04 1.01 -1.26 -1.43 121.20 130.56 3bpd s ILE 74 Ca -0.03 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.35 3bpd s ILE 74 Cb -0.06 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 3bpd s ILE 74 CO 0.00 -0.66 1.39 0.45 0.00 0.00 0.00 174.94 176.13 3bpd h HIS 75 N 8.85 0.00 -1.39 3.97 3.86 -0.74 -3.48 115.15 126.22 3bpd h HIS 75 Ca -0.25 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.16 3bpd h HIS 75 Cb 1.09 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.33 3bpd h HIS 75 CO 0.81 0.78 0.78 -1.54 0.86 0.00 0.00 177.93 179.62 3bpd s SER 76 N -6.64 -0.17 -0.45 2.45 1.04 -1.12 -5.01 113.70 103.79 3bpd s SER 76 Ca 0.01 0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.38 3bpd s SER 76 Cb 0.10 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3bpd s SER 76 CO 0.78 -0.21 0.53 -0.69 0.98 0.00 0.00 173.24 174.63 3bpd s VAL 77 N -1.61 4.99 0.13 5.02 1.01 -1.26 -1.52 120.40 127.15 3bpd s VAL 77 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3bpd s VAL 77 Cb -0.01 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 32.02 3bpd s VAL 77 CO -0.04 -0.58 1.29 0.44 0.00 0.00 0.00 175.10 176.21 3bpd h ASP 78 N 8.84 0.28 -4.58 3.32 5.19 -0.80 -3.47 116.42 125.20 3bpd h ASP 78 Ca -0.27 -0.25 -0.10 0.00 -0.62 0.00 0.00 57.03 55.79 3bpd h ASP 78 Cb 1.10 -0.09 -0.21 0.00 0.18 0.00 0.00 39.33 40.32 3bpd h ASP 78 CO 0.87 1.12 -0.11 -0.70 -3.12 0.00 0.00 179.24 177.30 3bpd s GLU 79 N -2.98 0.73 -0.04 3.56 2.12 -1.18 -4.96 118.70 115.95 3bpd s GLU 79 Ca -0.03 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.56 3bpd s GLU 79 Cb 0.09 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.85 3bpd s GLU 79 CO 0.84 -0.17 -0.00 0.08 -0.54 0.00 0.00 175.26 175.47 3bpd s VAL 80 N -0.68 0.24 -0.14 3.70 1.01 -1.26 -1.14 120.40 122.13 3bpd s VAL 80 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3bpd s VAL 80 Cb -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3bpd s VAL 80 CO 0.04 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.41 3bpd s VAL 81 N 1.15 2.01 0.13 2.92 1.01 0.14 -4.98 120.40 122.78 3bpd s VAL 81 Ca -0.08 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3bpd s VAL 81 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3bpd s VAL 81 CO -0.02 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 3bpd s ALA 82 N 0.85 1.56 0.00 5.51 0.00 -1.26 -0.00 121.76 128.42 3bpd s ALA 82 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3bpd s ALA 82 Cb -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3bpd s ALA 82 CO -0.02 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3bpd n GLY 83 N 0.41 -0.29 0.10 0.00 0.00 -0.48 -4.74 105.19 100.19 3bpd n GLY 83 Ca -0.14 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 43.70 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 3.37 0.00 -5.30 1.61 1.57 -1.89 -3.34 116.57 112.59 3bpd h LYS 84 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3bpd h LYS 84 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 3bpd h LYS 84 CO 0.00 0.17 -0.87 0.42 -0.57 0.00 0.00 179.45 178.60 3bpd s ILE 85 N -3.10 2.13 -0.33 1.86 1.01 -1.26 -4.95 121.20 116.56 3bpd s ILE 85 Ca -0.02 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 3bpd s ILE 85 Cb 0.09 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3bpd s ILE 85 CO 0.80 0.55 1.94 -0.63 0.00 0.00 0.00 174.94 177.61 3bpd s ILE 86 N 0.48 3.32 -0.21 2.92 -1.09 -1.26 -4.87 121.20 120.50 3bpd s ILE 86 Ca -0.15 0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.51 3bpd s ILE 86 Cb -0.17 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 3bpd s ILE 86 CO 0.06 -0.32 0.09 -0.69 -1.23 0.00 0.00 174.94 172.84 3bpd s VAL 87 N 7.68 4.88 0.34 2.92 1.01 -1.26 -5.09 120.40 130.88 3bpd s VAL 87 Ca 0.85 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 3bpd s VAL 87 Cb -0.24 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3bpd s VAL 87 CO 0.33 0.42 0.66 -1.61 0.00 0.00 0.00 175.10 174.89 3bpd s GLU 88 N 0.71 3.72 0.23 2.72 0.41 -1.26 -4.94 118.70 120.29 3bpd s GLU 88 Ca 0.05 0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.56 3bpd s GLU 88 Cb -0.13 -2.52 -0.09 0.00 -1.78 0.00 0.00 34.13 29.61 3bpd s GLU 88 CO 0.02 0.10 1.28 0.45 -0.49 0.00 0.00 175.26 176.62 3bpd s SER 89 N -3.10 6.91 -0.30 -0.19 0.15 -1.26 -4.98 113.70 110.94 3bpd s SER 89 Ca 0.48 2.44 -0.22 0.00 0.70 0.00 0.00 55.95 59.35 3bpd s SER 89 Cb -0.11 -2.62 -0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3bpd s SER 89 CO 0.30 -0.48 0.71 -0.69 1.20 0.00 0.00 173.24 174.27 3bpd s VAL 90 N -0.27 4.87 -2.00 4.45 1.01 -1.26 -5.32 120.40 121.88 3bpd s VAL 90 Ca 0.54 1.03 0.29 0.00 0.00 0.00 0.00 61.98 63.84 3bpd s VAL 90 Cb -0.37 -4.07 0.83 0.00 0.00 0.00 0.00 36.38 32.78 3bpd s VAL 90 CO 0.41 -0.18 2.08 -1.84 0.00 0.00 0.00 175.10 175.57