#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 4.18 0.00 2.46 1.43 -1.26 -4.93 118.68 120.56 3bpd s LEU 1 Ca 0.00 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 3bpd s LEU 1 Cb 0.00 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.34 3bpd s LEU 1 CO 0.00 -0.23 0.49 2.29 0.23 0.00 0.00 176.35 179.12 3bpd n LYS 2 N 4.76 0.35 0.00 1.70 2.85 -1.25 -4.19 118.16 122.38 3bpd n LYS 2 Ca -0.02 -0.77 0.00 0.00 -1.05 0.00 0.00 58.31 56.47 3bpd n LYS 2 Cb 0.50 1.03 0.00 0.00 -0.65 0.00 0.00 35.03 35.91 3bpd n LYS 2 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bpd n GLY 3 N -0.34 0.30 3.67 2.58 0.00 -1.26 -0.44 105.19 109.69 3bpd n GLY 3 Ca -0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 4.19 -0.23 0.99 1.43 -1.26 -0.68 118.68 123.12 3bpd s LEU 4 Ca 0.00 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 3bpd s LEU 4 Cb 0.00 -3.55 -0.18 0.00 0.03 0.00 0.00 46.19 42.50 3bpd s LEU 4 CO 0.00 -0.66 -0.15 0.54 0.23 0.00 0.00 176.35 176.31 3bpd n ARG 5 N 6.03 0.68 -3.73 1.70 5.12 0.14 0.00 116.66 126.61 3bpd n ARG 5 Ca 0.12 0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 56.02 3bpd n ARG 5 Cb 0.46 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.48 0.43 0.06 5.56 3.52 -0.92 -0.66 118.95 124.46 3bpd s ARG 6 Ca -0.27 0.61 0.06 0.00 -0.13 0.00 0.00 55.73 56.01 3bpd s ARG 6 Cb 0.08 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 3bpd s ARG 6 CO 0.61 -0.09 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.33 3bpd s LEU 7 N 0.60 2.23 -0.18 -0.88 1.43 -0.32 -1.08 118.68 120.48 3bpd s LEU 7 Ca -0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3bpd s LEU 7 Cb -0.05 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.44 3bpd s LEU 7 CO -0.04 0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.76 3bpd s VAL 8 N -1.00 1.78 -0.10 -1.59 1.01 -0.67 -0.25 120.40 119.58 3bpd s VAL 8 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3bpd s VAL 8 Cb -0.09 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3bpd s VAL 8 CO 0.02 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 3bpd s LEU 9 N 1.38 2.41 -0.52 3.92 1.43 0.17 -1.57 118.68 125.91 3bpd s LEU 9 Ca 0.02 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3bpd s LEU 9 Cb -0.14 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.62 3bpd s LEU 9 CO -0.10 0.20 0.85 -0.62 0.23 0.00 0.00 176.35 176.91 3bpd s ASP 10 N 0.10 6.34 -0.05 2.29 3.68 0.05 -0.85 116.67 128.24 3bpd s ASP 10 Ca -0.09 -0.37 0.06 0.00 2.13 0.00 0.00 52.55 54.28 3bpd s ASP 10 Cb -0.15 -2.40 -0.02 0.00 -1.45 0.00 0.00 42.92 38.90 3bpd s ASP 10 CO 0.06 -1.09 -0.22 -0.69 0.13 0.00 0.00 175.17 173.36 3bpd s VAL 11 N 3.57 2.37 -0.13 1.11 1.01 -0.15 0.13 120.40 128.31 3bpd s VAL 11 Ca 0.28 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3bpd s VAL 11 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3bpd s VAL 11 CO 0.19 0.58 -0.07 -0.22 0.00 0.00 0.00 175.10 175.57 3bpd s LEU 12 N -0.44 3.06 0.07 3.92 2.96 -0.41 -0.74 118.68 127.09 3bpd s LEU 12 Ca 0.05 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 3bpd s LEU 12 Cb -0.12 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.87 3bpd s LEU 12 CO 0.01 0.20 0.21 -1.59 -1.32 0.00 0.00 176.35 173.86 3bpd s LYS 13 N 0.19 0.79 1.06 1.98 -2.85 -0.78 -1.46 119.74 118.67 3bpd s LYS 13 Ca -0.04 -0.78 -0.14 0.00 -1.00 0.00 0.00 55.97 54.00 3bpd s LYS 13 Cb -0.14 0.32 0.22 0.00 -2.06 0.00 0.00 37.83 36.17 3bpd s LYS 13 CO 0.04 -0.24 1.10 -2.14 0.10 0.00 0.00 175.35 174.20 3bpd s PRO 14 N -3.23 -0.10 0.53 1.78 0.02 -1.26 -0.30 135.00 132.44 3bpd s PRO 14 Ca 0.00 0.32 0.35 0.00 0.02 0.00 0.00 61.00 61.69 3bpd s PRO 14 Cb 0.02 -1.69 1.62 0.00 0.02 0.00 0.00 34.50 34.47 3bpd s PRO 14 CO -0.08 -3.04 2.04 0.45 -0.33 0.00 0.00 177.00 176.04 3bpd h HIS 15 N -2.11 0.00 -4.38 6.54 3.86 -1.87 -3.42 115.15 113.76 3bpd h HIS 15 Ca -0.52 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.09 3bpd h HIS 15 Cb 1.32 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.50 3bpd h HIS 15 CO -0.38 0.00 -0.85 -1.21 0.86 0.00 0.00 177.93 176.35 3bpd s GLU 16 N -3.75 1.62 0.85 2.45 0.41 -1.26 -3.84 118.70 115.18 3bpd s GLU 16 Ca -0.01 -0.77 -0.12 0.00 -0.41 0.00 0.00 54.97 53.67 3bpd s GLU 16 Cb 0.10 -1.59 0.10 0.00 -1.78 0.00 0.00 34.13 30.96 3bpd s GLU 16 CO 0.45 0.43 1.15 -1.25 -0.49 0.00 0.00 175.26 175.55 3bpd s PRO 17 N -0.60 1.67 0.65 0.39 0.04 -1.26 -4.93 135.00 130.96 3bpd s PRO 17 Ca 0.08 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 3bpd s PRO 17 Cb -0.08 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3bpd s PRO 17 CO -0.00 -1.82 1.22 0.15 0.04 0.00 0.00 177.00 176.58 3bpd s LYS 18 N -5.40 2.64 0.54 4.56 1.02 -1.25 -4.87 119.74 116.98 3bpd s LYS 18 Ca 0.62 1.84 0.29 0.00 0.02 0.00 0.00 55.97 58.74 3bpd s LYS 18 Cb -0.13 -1.89 1.45 0.00 -0.52 0.00 0.00 37.83 36.75 3bpd s LYS 18 CO 0.51 -1.47 1.93 1.79 -0.92 0.00 0.00 175.35 177.20 3bpd h THR 19 N 0.45 0.62 0.00 2.17 1.35 -1.96 0.26 112.91 115.80 3bpd h THR 19 Ca -0.50 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 3bpd h THR 19 Cb 1.30 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3bpd h THR 19 CO 0.53 0.00 -0.17 0.16 -0.25 0.00 0.00 175.52 175.79 3bpd h ILE 20 N 0.00 0.92 -0.03 6.82 3.07 -2.00 -1.44 117.51 124.85 3bpd h ILE 20 Ca 0.35 -0.62 -0.19 0.00 1.55 0.00 0.00 64.86 65.96 3bpd h ILE 20 Cb 1.42 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 39.32 3bpd h ILE 20 CO -0.00 0.16 -0.80 0.58 -1.05 0.00 0.00 178.15 177.04 3bpd h VAL 21 N 0.00 1.43 -0.19 0.16 2.07 -0.82 -1.91 116.25 116.98 3bpd h VAL 21 Ca -0.00 -2.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.06 3bpd h VAL 21 Cb 0.34 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3bpd h VAL 21 CO 0.02 0.70 -0.25 -0.26 0.02 0.00 0.00 177.57 177.80 3bpd h PHE 22 N 0.18 0.63 0.02 1.57 -1.00 -1.30 -2.23 116.94 114.81 3bpd h PHE 22 Ca -0.04 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.54 3bpd h PHE 22 Cb 1.40 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.83 3bpd h PHE 22 CO 0.04 0.90 -0.01 0.00 -1.61 0.00 0.00 178.31 177.62 3bpd h ALA 23 N 0.62 -0.03 0.47 2.45 0.00 -1.28 -0.84 119.26 120.65 3bpd h ALA 23 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3bpd h ALA 23 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3bpd h ALA 23 CO 0.06 -0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 178.51 3bpd h LEU 24 N -0.07 -0.54 -0.66 0.00 3.38 -1.40 -0.24 115.31 115.78 3bpd h LEU 24 Ca -0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3bpd h LEU 24 Cb 0.06 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3bpd h LEU 24 CO 0.01 -0.39 0.30 0.50 0.09 0.00 0.00 178.44 178.94 3bpd h LYS 25 N -0.64 0.49 -0.32 1.13 1.63 -1.36 -1.48 116.57 116.03 3bpd h LYS 25 Ca -0.06 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 3bpd h LYS 25 Cb 0.49 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 3bpd h LYS 25 CO 0.11 0.33 -0.35 -0.07 -3.45 0.00 0.00 179.45 176.01 3bpd h LEU 26 N 0.51 0.77 -1.13 5.20 3.38 -1.04 -2.75 115.31 120.24 3bpd h LEU 26 Ca 0.33 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bpd h LEU 26 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bpd h LEU 26 CO -0.29 1.05 0.00 0.77 0.09 0.00 0.00 178.44 180.06 3bpd h SER 27 N 0.61 0.00 -0.04 -0.43 4.64 -0.26 -2.50 113.55 115.56 3bpd h SER 27 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3bpd h SER 27 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3bpd h SER 27 CO 0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 3bpd n GLU 28 N -2.63 1.32 -2.46 4.77 1.02 -0.63 -4.81 120.64 117.22 3bpd n GLU 28 Ca 0.01 -0.47 -0.38 0.00 -0.02 0.00 0.00 57.16 56.30 3bpd n GLU 28 Cb 0.25 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.78 4.28 0.14 -4.62 1.43 -0.94 -4.96 118.68 112.23 3bpd s LEU 29 Ca 0.36 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 3bpd s LEU 29 Cb 0.18 -3.97 0.07 0.00 0.03 0.00 0.00 46.19 42.50 3bpd s LEU 29 CO 0.29 -0.43 1.11 1.21 0.23 0.00 0.00 176.35 178.76 3bpd n GLU 30 N 0.36 -0.24 -2.23 1.70 2.13 -1.26 -2.41 120.64 118.69 3bpd n GLU 30 Ca 0.03 1.10 -0.27 0.00 0.66 0.00 0.00 57.16 58.68 3bpd n GLU 30 Cb 0.47 -1.62 0.01 0.00 0.27 0.00 0.00 31.44 30.57 3bpd n GLU 30 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3bpd n ASN 31 N -4.98 5.04 -4.41 4.31 2.04 -1.26 -4.98 115.26 111.01 3bpd n ASN 31 Ca 0.05 -3.74 -0.35 0.00 -0.44 0.00 0.00 54.58 50.09 3bpd n ASN 31 Cb 0.24 -0.46 -0.13 0.00 -2.53 0.00 0.00 39.78 36.90 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3bpd s VAL 32 N -5.13 3.90 0.01 3.53 1.01 -1.01 -1.63 120.40 121.08 3bpd s VAL 32 Ca 0.50 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 62.27 3bpd s VAL 32 Cb 0.41 -2.79 -0.19 0.00 0.00 0.00 0.00 36.38 33.82 3bpd s VAL 32 CO -0.10 0.40 1.03 0.44 0.00 0.00 0.00 175.10 176.86 3bpd h ASP 33 N 7.91 0.00 -5.00 3.32 3.32 -0.73 -3.46 116.42 121.77 3bpd h ASP 33 Ca -0.38 0.00 0.22 0.00 0.02 0.00 0.00 57.03 56.89 3bpd h ASP 33 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 3bpd h ASP 33 CO 0.60 0.91 0.66 -0.83 -1.72 0.00 0.00 179.24 178.86 3bpd s GLY 34 N -4.84 -0.35 -0.00 2.75 0.00 -1.03 -5.01 107.32 98.83 3bpd s GLY 34 Ca -0.01 0.86 -0.01 0.00 0.00 0.00 0.00 44.72 45.56 3bpd s GLY 34 CO 0.81 0.25 0.01 0.14 0.00 0.00 0.00 173.10 174.31 3bpd s VAL 35 N -2.81 0.03 -0.08 1.40 1.01 -1.26 -1.24 120.40 117.45 3bpd s VAL 35 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3bpd s VAL 35 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.30 3bpd s VAL 35 CO -0.04 -0.14 -0.06 0.21 0.00 0.00 0.00 175.10 175.07 3bpd s ASN 36 N -0.41 1.72 -0.22 3.32 3.84 -0.12 -4.99 114.94 118.07 3bpd s ASN 36 Ca -0.05 -0.22 -0.01 0.00 0.21 0.00 0.00 52.86 52.80 3bpd s ASN 36 Cb -0.03 -0.68 0.02 0.00 -0.55 0.00 0.00 41.25 40.02 3bpd s ASN 36 CO -0.00 -0.09 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.48 3bpd s ILE 37 N 1.38 2.62 -0.19 -5.21 1.01 -1.26 -0.82 121.20 118.72 3bpd s ILE 37 Ca -0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3bpd s ILE 37 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3bpd s ILE 37 CO -0.03 0.31 0.02 -2.28 0.00 0.00 0.00 174.94 172.95 3bpd s HIS 38 N 1.31 3.09 -0.17 3.97 5.65 -0.68 -4.96 115.29 123.50 3bpd s HIS 38 Ca 0.01 -0.28 -0.29 0.00 0.25 0.00 0.00 55.06 54.76 3bpd s HIS 38 Cb -0.16 -2.07 -0.00 0.00 -1.18 0.00 0.00 32.58 29.17 3bpd s HIS 38 CO -0.07 -0.10 1.10 -1.17 -0.65 0.00 0.00 174.74 173.85 3bpd s LEU 39 N 0.77 4.16 -0.17 8.88 2.96 -1.26 -1.03 118.68 132.99 3bpd s LEU 39 Ca 0.01 1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 55.27 3bpd s LEU 39 Cb -0.14 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 3bpd s LEU 39 CO 0.02 -0.64 0.30 0.28 -1.32 0.00 0.00 176.35 175.00 3bpd h SER 40 N 7.55 0.14 -3.24 3.68 0.02 0.61 -3.48 113.55 118.83 3bpd h SER 40 Ca -0.25 -0.66 0.02 0.00 -0.84 0.00 0.00 61.79 60.06 3bpd h SER 40 Cb 1.10 -0.05 -0.22 0.00 0.14 0.00 0.00 62.40 63.37 3bpd h SER 40 CO 0.94 1.58 0.15 -0.70 -1.14 0.00 0.00 176.83 177.66 3bpd s GLU 41 N -2.42 0.68 -0.22 3.45 2.12 -1.01 -4.97 118.70 116.33 3bpd s GLU 41 Ca -0.26 1.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.99 3bpd s GLU 41 Cb 0.06 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 3bpd s GLU 41 CO 0.65 -0.12 0.14 0.42 -0.54 0.00 0.00 175.26 175.82 3bpd s ILE 42 N 1.10 5.36 0.51 -3.70 1.01 -1.26 -0.52 121.20 123.69 3bpd s ILE 42 Ca -0.06 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.84 3bpd s ILE 42 Cb -0.05 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3bpd s ILE 42 CO -0.12 0.39 0.49 -1.81 0.00 0.00 0.00 174.94 173.88 3bpd s ASP 43 N 0.75 4.89 0.54 3.58 1.11 0.15 -5.00 116.67 122.69 3bpd s ASP 43 Ca 0.08 -0.98 0.25 0.00 0.18 0.00 0.00 52.55 52.07 3bpd s ASP 43 Cb -0.12 0.05 1.52 0.00 1.07 0.00 0.00 42.92 45.44 3bpd s ASP 43 CO 0.02 -1.01 2.15 0.06 1.18 0.00 0.00 175.17 177.57 3bpd h GLN 44 N 0.71 0.00 0.00 8.23 3.07 -2.03 -3.28 115.11 121.81 3bpd h GLN 44 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.37 3bpd h GLN 44 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3bpd h GLN 44 CO 0.53 0.06 0.00 0.00 0.09 0.00 0.00 178.83 179.52 3bpd n ALA 45 N -2.37 1.05 -4.20 0.06 0.00 -1.26 -5.06 120.51 108.74 3bpd n ALA 45 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 3bpd n ALA 45 Cb 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.47 0.00 -4.00 0.00 -2.24 -1.24 -3.46 114.28 102.87 3bpd n THR 46 Ca 0.00 -2.31 -0.09 0.00 -2.27 0.00 0.00 64.05 59.38 3bpd n THR 46 Cb 0.01 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 3bpd n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bpd s GLU 47 N -3.27 0.48 -0.25 -0.78 2.02 0.59 0.30 118.70 117.80 3bpd s GLU 47 Ca 0.38 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 3bpd s GLU 47 Cb 0.02 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.45 3bpd s GLU 47 CO 0.27 -0.10 -0.06 -0.80 0.02 0.00 0.00 175.26 174.59 3bpd s ASN 48 N -2.08 4.31 0.18 -0.19 0.01 0.32 -1.87 114.94 115.61 3bpd s ASN 48 Ca -0.06 -0.87 0.10 0.00 -0.71 0.00 0.00 52.86 51.33 3bpd s ASN 48 Cb -0.02 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 3bpd s ASN 48 CO -0.05 -0.13 -0.22 0.27 -1.51 0.00 0.00 177.10 175.47 3bpd s ILE 49 N 1.33 2.11 -0.31 0.60 -4.36 0.08 0.12 121.20 120.77 3bpd s ILE 49 Ca 0.00 -1.96 -0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3bpd s ILE 49 Cb -0.17 -1.98 0.04 0.00 1.25 0.00 0.00 42.46 41.61 3bpd s ILE 49 CO -0.04 -0.19 0.05 -0.75 0.24 0.00 0.00 174.94 174.25 3bpd s LYS 50 N -2.66 2.58 -0.35 0.37 2.20 -0.20 -0.98 119.74 120.70 3bpd s LYS 50 Ca 0.18 -1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 54.47 3bpd s LYS 50 Cb -0.07 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3bpd s LYS 50 CO 0.08 -0.62 0.24 0.42 -0.36 0.00 0.00 175.35 175.12 3bpd s ILE 51 N 1.34 5.21 -0.25 5.43 1.01 -0.03 -1.68 121.20 132.22 3bpd s ILE 51 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 3bpd s ILE 51 Cb -0.19 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3bpd s ILE 51 CO 0.01 -0.06 0.13 -0.89 0.00 0.00 0.00 174.94 174.13 3bpd s THR 52 N 1.70 4.91 -0.12 2.92 2.01 -0.00 0.46 115.64 127.52 3bpd s THR 52 Ca 0.06 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.11 3bpd s THR 52 Cb -0.18 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 3bpd s THR 52 CO 0.10 0.31 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.51 3bpd s ILE 53 N 1.49 2.35 -0.02 1.82 1.01 0.65 -0.94 121.20 127.57 3bpd s ILE 53 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3bpd s ILE 53 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3bpd s ILE 53 CO 0.07 0.55 -0.09 -0.22 0.00 0.00 0.00 174.94 175.24 3bpd s LEU 54 N 0.46 3.03 0.00 2.97 2.96 -0.37 -1.17 118.68 126.56 3bpd s LEU 54 Ca -0.14 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3bpd s LEU 54 Cb -0.17 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3bpd s LEU 54 CO 0.06 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 3bpd n GLY 55 N 1.88 -0.98 3.24 7.98 0.00 0.16 0.03 105.19 117.51 3bpd n GLY 55 Ca -0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 3.03 -1.18 1.61 3.04 -0.65 -4.35 114.94 112.44 3bpd s ASN 56 Ca 0.00 -0.52 -0.31 0.00 0.04 0.00 0.00 52.86 52.07 3bpd s ASN 56 Cb 0.00 -1.03 0.04 0.00 -1.54 0.00 0.00 41.25 38.72 3bpd s ASN 56 CO 0.00 0.21 0.69 -3.20 -3.04 0.00 0.00 177.10 171.76 3bpd n ASN 57 N 3.16 -4.31 -4.77 -4.21 5.15 0.41 -4.76 115.26 105.94 3bpd n ASN 57 Ca -0.18 -1.25 -0.39 0.00 -0.60 0.00 0.00 54.58 52.15 3bpd n ASN 57 Cb 0.52 -1.80 -0.01 0.00 -0.53 0.00 0.00 39.78 37.95 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 -7.18 4.27 -0.58 1.20 1.43 0.10 -4.76 118.68 113.16 3bpd s LEU 58 Ca 0.45 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.94 3bpd s LEU 58 Cb -0.24 -3.87 0.12 0.00 0.03 0.00 0.00 46.19 42.23 3bpd s LEU 58 CO 0.96 -0.70 0.60 -0.62 0.23 0.00 0.00 176.35 176.81 3bpd s ASP 59 N -0.80 6.22 0.15 2.29 3.68 -1.26 -4.50 116.67 122.45 3bpd s ASP 59 Ca 0.55 -1.70 -0.19 0.00 2.13 0.00 0.00 52.55 53.33 3bpd s ASP 59 Cb -0.36 -2.25 0.04 0.00 -1.45 0.00 0.00 42.92 38.90 3bpd s ASP 59 CO 0.47 -0.95 1.67 0.22 0.13 0.00 0.00 175.17 176.71 3bpd h TYR 60 N 8.95 -0.28 -0.23 -5.34 3.20 -1.98 0.50 116.97 121.79 3bpd h TYR 60 Ca -0.27 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 3bpd h TYR 60 Cb 1.09 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3bpd h TYR 60 CO 0.79 -0.18 0.03 0.93 -1.64 0.00 0.00 178.16 178.09 3bpd h GLU 61 N -0.07 0.34 -0.17 1.82 4.39 -1.98 0.48 114.58 119.39 3bpd h GLU 61 Ca 0.15 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 3bpd h GLU 61 Cb 0.29 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3bpd h GLU 61 CO -0.34 0.34 -0.29 0.37 -1.16 0.00 0.00 179.01 177.94 3bpd h GLN 62 N 0.33 0.50 -0.66 2.33 4.15 -1.71 -0.20 115.11 119.86 3bpd h GLN 62 Ca 0.08 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.13 3bpd h GLN 62 Cb 0.18 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3bpd h GLN 62 CO 0.00 0.91 0.17 0.82 -1.93 0.00 0.00 178.83 178.80 3bpd h ILE 63 N 0.14 1.25 -0.47 2.39 2.04 -0.31 -1.71 117.51 120.85 3bpd h ILE 63 Ca 0.01 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3bpd h ILE 63 Cb 0.87 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3bpd h ILE 63 CO 0.07 0.35 0.24 0.50 0.00 0.00 0.00 178.15 179.30 3bpd h LYS 64 N 0.98 0.66 0.23 2.37 3.64 0.03 -2.35 116.57 122.14 3bpd h LYS 64 Ca 0.21 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3bpd h LYS 64 Cb 0.33 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3bpd h LYS 64 CO -0.00 0.54 -0.23 0.78 -2.27 0.00 0.00 179.45 178.27 3bpd h GLY 65 N 0.61 -0.51 0.24 5.01 0.00 -0.49 -0.01 103.07 107.92 3bpd h GLY 65 Ca 0.16 0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.89 3bpd h GLY 65 CO -0.02 -0.21 0.34 -2.08 0.00 0.00 0.00 176.54 174.57 3bpd h VAL 66 N -0.49 0.72 -0.59 4.60 2.07 -1.25 0.31 116.25 121.61 3bpd h VAL 66 Ca -0.00 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3bpd h VAL 66 Cb 0.46 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3bpd h VAL 66 CO -0.05 0.10 0.00 0.40 0.02 0.00 0.00 177.57 178.04 3bpd h ILE 67 N 0.52 1.27 -0.10 4.57 2.04 -1.04 -3.21 117.51 121.56 3bpd h ILE 67 Ca 0.41 -1.14 -0.22 0.00 1.00 0.00 0.00 64.86 64.91 3bpd h ILE 67 Cb 0.58 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3bpd h ILE 67 CO -0.36 0.41 -0.81 -0.33 0.00 0.00 0.00 178.15 177.06 3bpd h GLU 68 N 0.93 0.62 -2.02 2.37 5.08 0.27 -1.13 114.58 120.70 3bpd h GLU 68 Ca 0.17 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3bpd h GLU 68 Cb 0.55 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3bpd h GLU 68 CO 0.03 1.16 0.01 -0.25 -1.00 0.00 0.00 179.01 178.96 3bpd n ASP 69 N -3.88 0.93 0.00 1.42 8.00 0.95 -4.10 116.55 119.87 3bpd n ASP 69 Ca -0.07 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3bpd n ASP 69 Cb 0.76 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 1.94 0.75 3.96 0.44 0.00 -1.17 -5.10 105.19 106.00 3bpd n GLY 71 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 1.71 0.01 -0.02 0.00 -0.44 -4.57 107.32 103.76 3bpd s GLY 72 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3bpd s GLY 72 CO 0.00 -0.89 -0.04 0.54 0.00 0.00 0.00 173.10 172.71 3bpd s VAL 73 N -2.77 0.31 -0.37 1.40 0.11 -0.53 -3.62 120.40 114.93 3bpd s VAL 73 Ca 0.55 -0.47 -0.24 0.00 -2.93 0.00 0.00 61.98 58.89 3bpd s VAL 73 Cb -0.10 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3bpd s VAL 73 CO 0.39 -0.11 0.81 -0.63 -3.33 0.00 0.00 175.10 172.23 3bpd s ILE 74 N -0.57 4.70 0.08 7.04 1.01 -1.26 -1.29 121.20 130.91 3bpd s ILE 74 Ca -0.04 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 3bpd s ILE 74 Cb -0.05 -4.24 -0.26 0.00 0.01 0.00 0.00 42.46 37.92 3bpd s ILE 74 CO -0.00 -0.48 1.16 0.45 0.00 0.00 0.00 174.94 176.07 3bpd h HIS 75 N 8.53 0.36 -2.22 3.97 3.86 0.78 -3.48 115.15 126.93 3bpd h HIS 75 Ca -0.24 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 58.74 3bpd h HIS 75 Cb 1.09 -0.01 -0.17 0.00 1.06 0.00 0.00 27.41 29.38 3bpd h HIS 75 CO 0.80 1.21 0.37 -1.54 0.86 0.00 0.00 177.93 179.63 3bpd s SER 76 N -7.02 -0.48 -0.51 2.45 1.04 -1.10 -5.00 113.70 103.09 3bpd s SER 76 Ca -0.03 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 3bpd s SER 76 Cb 0.08 0.45 0.13 0.00 0.10 0.00 0.00 66.02 66.78 3bpd s SER 76 CO 0.87 -0.64 0.41 -0.69 0.98 0.00 0.00 173.24 174.16 3bpd s VAL 77 N -2.37 4.49 0.13 5.02 1.01 -1.26 -0.77 120.40 126.64 3bpd s VAL 77 Ca -0.01 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.20 3bpd s VAL 77 Cb -0.01 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.24 3bpd s VAL 77 CO -0.03 -0.81 1.29 0.44 0.00 0.00 0.00 175.10 175.98 3bpd h ASP 78 N 8.48 0.18 -3.83 3.32 3.32 -1.67 -3.46 116.42 122.76 3bpd h ASP 78 Ca -0.21 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 3bpd h ASP 78 Cb 1.07 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.31 3bpd h ASP 78 CO 0.89 1.08 -0.37 -0.70 -1.72 0.00 0.00 179.24 178.42 3bpd s GLU 79 N -2.87 0.35 -0.04 3.56 2.12 -1.23 -4.97 118.70 115.61 3bpd s GLU 79 Ca -0.01 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.76 3bpd s GLU 79 Cb 0.09 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.66 3bpd s GLU 79 CO 0.84 -0.04 -0.10 0.08 -0.54 0.00 0.00 175.26 175.49 3bpd s VAL 80 N 0.17 0.91 -0.05 3.70 1.01 -1.26 -1.67 120.40 123.21 3bpd s VAL 80 Ca -0.00 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3bpd s VAL 80 Cb -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3bpd s VAL 80 CO 0.00 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 3bpd s VAL 81 N 0.33 1.40 -0.01 2.92 1.01 -0.24 -4.97 120.40 120.84 3bpd s VAL 81 Ca -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 3bpd s VAL 81 Cb -0.11 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3bpd s VAL 81 CO 0.01 0.41 0.20 0.00 0.00 0.00 0.00 175.10 175.72 3bpd s ALA 82 N 0.14 -0.50 0.00 5.51 0.00 -1.26 0.28 121.76 125.93 3bpd s ALA 82 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3bpd s ALA 82 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3bpd s ALA 82 CO 0.03 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3bpd n GLY 83 N 1.56 0.33 0.09 0.00 0.00 0.15 -4.80 105.19 102.52 3bpd n GLY 83 Ca -0.21 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.40 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 0.00 0.13 -6.08 1.61 1.57 -1.90 -3.31 116.57 108.59 3bpd h LYS 84 Ca 0.00 -0.19 -0.64 0.00 -1.87 0.00 0.00 60.65 57.95 3bpd h LYS 84 Cb 0.00 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3bpd h LYS 84 CO 0.00 1.03 -0.58 0.42 -0.57 0.00 0.00 179.45 179.75 3bpd s ILE 85 N -2.60 4.74 -0.27 1.86 -1.09 -1.26 -4.88 121.20 117.69 3bpd s ILE 85 Ca -0.17 -0.59 -0.26 0.00 -2.23 0.00 0.00 60.65 57.41 3bpd s ILE 85 Cb -0.01 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3bpd s ILE 85 CO 0.74 0.20 0.90 -0.63 -1.23 0.00 0.00 174.94 174.92 3bpd s ILE 86 N -1.35 4.74 -0.09 2.92 1.09 -1.26 -4.78 121.20 122.46 3bpd s ILE 86 Ca 0.28 1.56 -0.04 0.00 -1.10 0.00 0.00 60.65 61.35 3bpd s ILE 86 Cb -0.12 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 3bpd s ILE 86 CO 0.21 -0.22 0.08 -0.69 -0.10 0.00 0.00 174.94 174.22 3bpd s VAL 87 N 3.09 4.97 0.06 2.92 1.01 -1.26 -5.11 120.40 126.08 3bpd s VAL 87 Ca 0.38 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3bpd s VAL 87 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3bpd s VAL 87 CO 0.10 0.59 0.08 -1.61 0.00 0.00 0.00 175.10 174.26 3bpd s GLU 88 N -1.05 2.94 0.52 2.72 0.41 -1.26 -4.95 118.70 118.03 3bpd s GLU 88 Ca 0.15 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 53.86 3bpd s GLU 88 Cb -0.12 -2.77 -0.06 0.00 -1.78 0.00 0.00 34.13 29.41 3bpd s GLU 88 CO 0.04 0.59 1.25 0.45 -0.49 0.00 0.00 175.26 177.10 3bpd s SER 89 N -2.23 5.64 0.00 -0.19 0.15 -1.26 -5.25 113.70 110.55 3bpd s SER 89 Ca 0.28 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.67 3bpd s SER 89 Cb -0.12 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.75 3bpd s SER 89 CO 0.20 -1.30 1.21 0.52 1.20 0.00 0.00 173.24 175.08