#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 2.10 3.63 3.23 -2.85 -1.26 -4.05 119.74 120.53 3bpd s LYS 2 Ca 0.00 -1.67 0.00 0.00 -1.00 0.00 0.00 55.97 53.30 3bpd s LYS 2 Cb 0.00 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3bpd s LYS 2 CO 0.00 -0.92 0.00 0.41 0.10 0.00 0.00 175.35 174.94 3bpd n GLY 3 N -0.57 1.34 3.65 0.59 0.00 -1.26 -1.88 105.19 107.06 3bpd n GLY 3 Ca -0.03 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 4.20 -0.15 0.99 1.43 -1.26 -1.39 118.68 122.50 3bpd s LEU 4 Ca 0.00 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 3bpd s LEU 4 Cb 0.00 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.56 3bpd s LEU 4 CO 0.00 -0.92 -0.07 0.54 0.23 0.00 0.00 176.35 176.13 3bpd n ARG 5 N 7.03 0.97 -3.79 1.70 5.12 0.59 -1.67 116.66 126.61 3bpd n ARG 5 Ca 0.16 0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 56.01 3bpd n ARG 5 Cb 0.44 -1.32 -0.13 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.32 0.17 -0.00 5.56 3.52 -1.13 0.10 118.95 124.85 3bpd s ARG 6 Ca -0.16 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.79 3bpd s ARG 6 Cb 0.05 0.00 -0.01 0.00 -1.56 0.00 0.00 34.95 33.43 3bpd s ARG 6 CO 0.43 -0.07 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.18 3bpd s LEU 7 N 0.50 2.05 -0.30 -0.88 1.43 -0.25 -0.78 118.68 120.46 3bpd s LEU 7 Ca -0.03 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3bpd s LEU 7 Cb -0.05 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.49 3bpd s LEU 7 CO -0.02 0.16 -0.02 -0.69 0.23 0.00 0.00 176.35 176.01 3bpd s VAL 8 N -0.44 2.09 -0.15 -1.59 1.01 -0.24 -1.26 120.40 119.83 3bpd s VAL 8 Ca 0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.03 3bpd s VAL 8 Cb -0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3bpd s VAL 8 CO -0.00 -0.34 0.12 -0.76 0.00 0.00 0.00 175.10 174.11 3bpd s LEU 9 N 1.06 4.23 -0.54 3.92 1.43 0.84 -0.33 118.68 129.29 3bpd s LEU 9 Ca 0.02 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.28 3bpd s LEU 9 Cb -0.19 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3bpd s LEU 9 CO -0.08 0.32 0.62 -0.62 0.23 0.00 0.00 176.35 176.82 3bpd s ASP 10 N -0.48 6.20 -0.06 2.29 3.68 -0.18 -0.41 116.67 127.71 3bpd s ASP 10 Ca 0.12 -1.23 0.05 0.00 2.13 0.00 0.00 52.55 53.62 3bpd s ASP 10 Cb -0.12 -2.28 -0.02 0.00 -1.45 0.00 0.00 42.92 39.06 3bpd s ASP 10 CO 0.02 -0.95 -0.21 -0.69 0.13 0.00 0.00 175.17 173.46 3bpd s VAL 11 N 2.46 2.40 -0.13 1.11 1.01 0.10 0.32 120.40 127.68 3bpd s VAL 11 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3bpd s VAL 11 Cb -0.23 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3bpd s VAL 11 CO 0.08 0.57 0.04 -0.22 0.00 0.00 0.00 175.10 175.57 3bpd s LEU 12 N -0.26 3.73 0.09 3.92 2.96 -0.89 0.50 118.68 128.73 3bpd s LEU 12 Ca -0.00 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 3bpd s LEU 12 Cb -0.13 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3bpd s LEU 12 CO 0.03 0.28 0.33 -1.59 -1.32 0.00 0.00 176.35 174.08 3bpd s LYS 13 N -0.31 0.95 0.96 1.98 -2.85 -0.75 -1.45 119.74 118.26 3bpd s LYS 13 Ca 0.08 -0.71 -0.12 0.00 -1.00 0.00 0.00 55.97 54.22 3bpd s LYS 13 Cb -0.12 0.41 0.16 0.00 -2.06 0.00 0.00 37.83 36.22 3bpd s LYS 13 CO 0.02 -0.34 1.10 -2.14 0.10 0.00 0.00 175.35 174.09 3bpd s PRO 14 N -3.48 0.78 0.55 1.78 0.02 -1.26 -0.67 135.00 132.72 3bpd s PRO 14 Ca 0.01 0.60 0.24 0.00 0.02 0.00 0.00 61.00 61.87 3bpd s PRO 14 Cb 0.02 -1.77 1.53 0.00 0.02 0.00 0.00 34.50 34.29 3bpd s PRO 14 CO -0.09 -2.51 2.17 0.45 -0.33 0.00 0.00 177.00 176.68 3bpd h HIS 15 N -1.74 0.00 -4.00 6.54 3.86 -1.87 -3.42 115.15 114.53 3bpd h HIS 15 Ca -0.52 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.00 3bpd h HIS 15 Cb 1.31 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.49 3bpd h HIS 15 CO 0.34 0.04 -0.86 -2.00 0.86 0.00 0.00 177.93 176.31 3bpd s GLU 16 N -4.70 2.59 0.71 2.45 2.56 -1.26 -3.88 118.70 117.17 3bpd s GLU 16 Ca -0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 54.97 53.97 3bpd s GLU 16 Cb 0.15 -2.22 0.04 0.00 2.00 0.00 0.00 34.13 34.10 3bpd s GLU 16 CO 0.60 0.41 1.05 -1.25 -0.56 0.00 0.00 175.26 175.52 3bpd s PRO 17 N -0.22 2.48 0.89 4.30 0.04 -1.26 -4.92 135.00 136.31 3bpd s PRO 17 Ca -0.01 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.00 3bpd s PRO 17 Cb -0.13 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.44 3bpd s PRO 17 CO 0.03 -1.16 1.12 1.63 0.04 0.00 0.00 177.00 178.67 3bpd n LYS 18 N -2.97 -0.27 0.26 4.56 5.02 -1.25 -4.88 118.16 118.62 3bpd n LYS 18 Ca 0.07 -0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3bpd n LYS 18 Cb 0.59 -2.36 0.68 0.00 -0.02 0.00 0.00 35.03 33.92 3bpd n LYS 18 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3bpd h THR 19 N -1.60 0.91 -0.22 -0.18 1.35 -1.95 -1.61 112.91 109.62 3bpd h THR 19 Ca -0.44 -0.08 0.01 0.00 -0.55 0.00 0.00 66.41 65.36 3bpd h THR 19 Cb 1.28 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3bpd h THR 19 CO 0.42 0.02 0.15 0.40 -0.25 0.00 0.00 175.52 176.26 3bpd h ILE 20 N 0.00 1.03 -0.05 6.82 2.04 -2.00 -0.26 117.51 125.09 3bpd h ILE 20 Ca -0.00 -0.08 -0.20 0.00 1.00 0.00 0.00 64.86 65.57 3bpd h ILE 20 Cb 0.04 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3bpd h ILE 20 CO 0.00 0.04 -0.81 0.58 0.00 0.00 0.00 178.15 177.96 3bpd h VAL 21 N 0.25 1.39 0.05 1.67 2.07 -1.64 -2.15 116.25 117.89 3bpd h VAL 21 Ca 0.09 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 3bpd h VAL 21 Cb 0.04 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3bpd h VAL 21 CO -0.02 0.68 -0.02 -0.26 0.02 0.00 0.00 177.57 177.97 3bpd h PHE 22 N 0.26 -0.06 -0.94 1.57 -1.00 -1.06 -0.13 116.94 115.59 3bpd h PHE 22 Ca -0.05 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.76 3bpd h PHE 22 Cb 1.42 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.94 3bpd h PHE 22 CO 0.05 0.21 0.61 0.00 -1.61 0.00 0.00 178.31 177.57 3bpd h ALA 23 N 0.62 1.24 0.79 2.45 0.00 -1.19 0.22 119.26 123.39 3bpd h ALA 23 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3bpd h ALA 23 Cb 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3bpd h ALA 23 CO 0.01 0.49 -0.38 1.25 0.00 0.00 0.00 179.25 180.62 3bpd h LEU 24 N 1.19 -0.90 -0.92 0.00 5.85 -1.27 0.97 115.31 120.23 3bpd h LEU 24 Ca 0.37 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.21 3bpd h LEU 24 Cb -0.01 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3bpd h LEU 24 CO -0.12 -0.57 0.56 0.50 -0.34 0.00 0.00 178.44 178.48 3bpd h LYS 25 N -1.21 0.94 -0.22 1.25 1.63 -0.88 -2.63 116.57 115.45 3bpd h LYS 25 Ca -0.11 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 3bpd h LYS 25 Cb 0.81 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 3bpd h LYS 25 CO 0.18 0.62 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.65 3bpd h LEU 26 N 0.96 0.45 -1.31 5.20 3.38 -0.91 -2.91 115.31 120.18 3bpd h LEU 26 Ca 0.43 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bpd h LEU 26 Cb 0.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3bpd h LEU 26 CO -0.22 0.74 0.04 -1.54 0.09 0.00 0.00 178.44 177.55 3bpd n SER 27 N -4.56 0.51 -0.47 -0.43 3.41 0.33 -1.18 113.62 111.22 3bpd n SER 27 Ca -0.04 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 3bpd n SER 27 Cb 0.31 -0.78 0.37 0.00 -0.26 0.00 0.00 64.21 63.85 3bpd n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bpd n GLU 28 N -2.20 1.45 -1.19 4.33 1.02 -1.07 -4.85 120.64 118.15 3bpd n GLU 28 Ca -0.01 -0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 55.86 3bpd n GLU 28 Cb 0.07 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.20 3.05 0.00 -4.62 1.43 -0.33 -4.97 118.68 111.04 3bpd s LEU 29 Ca 0.31 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3bpd s LEU 29 Cb 0.20 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.88 3bpd s LEU 29 CO 0.41 -2.28 0.65 1.21 0.23 0.00 0.00 176.35 176.57 3bpd n GLU 30 N -3.52 0.00 -0.62 1.70 4.07 -1.26 -3.31 120.64 117.70 3bpd n GLU 30 Ca 0.10 0.45 -0.09 0.00 -0.06 0.00 0.00 57.16 57.56 3bpd n GLU 30 Cb 0.52 -1.15 0.03 0.00 -0.06 0.00 0.00 31.44 30.79 3bpd n GLU 30 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3bpd n ASN 31 N -1.34 5.22 -4.42 4.31 3.02 -1.26 -4.88 115.26 115.92 3bpd n ASN 31 Ca 0.00 -2.70 -0.35 0.00 -0.03 0.00 0.00 54.58 51.50 3bpd n ASN 31 Cb 0.00 -0.95 -0.13 0.00 -0.61 0.00 0.00 39.78 38.09 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bpd s VAL 32 N -1.23 3.95 0.04 2.41 1.01 -1.21 -1.26 120.40 124.12 3bpd s VAL 32 Ca 0.17 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 3bpd s VAL 32 Cb 0.14 -2.81 -0.32 0.00 0.00 0.00 0.00 36.38 33.39 3bpd s VAL 32 CO 0.01 0.40 1.02 0.44 0.00 0.00 0.00 175.10 176.97 3bpd h ASP 33 N 7.79 0.65 -4.88 3.32 3.32 -0.63 -3.47 116.42 122.52 3bpd h ASP 33 Ca -0.38 -0.72 0.17 0.00 0.02 0.00 0.00 57.03 56.12 3bpd h ASP 33 Cb 1.17 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 3bpd h ASP 33 CO 0.60 1.57 0.56 -0.83 -1.72 0.00 0.00 179.24 179.42 3bpd s GLY 34 N -4.68 -0.37 -0.03 2.75 0.00 -1.05 -5.03 107.32 98.91 3bpd s GLY 34 Ca -0.08 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 3bpd s GLY 34 CO 0.91 0.25 0.06 0.14 0.00 0.00 0.00 173.10 174.46 3bpd s VAL 35 N -3.02 -0.06 -0.24 1.40 1.01 -1.26 -2.01 120.40 116.22 3bpd s VAL 35 Ca 0.08 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3bpd s VAL 35 Cb -0.01 -0.12 0.05 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 0.00 175.10 175.22 3bpd s ASN 36 N 1.09 4.13 -0.27 3.32 3.84 -0.35 -4.99 114.94 121.72 3bpd s ASN 36 Ca -0.09 -1.21 -0.08 0.00 0.21 0.00 0.00 52.86 51.69 3bpd s ASN 36 Cb -0.13 -1.54 -0.02 0.00 -0.55 0.00 0.00 41.25 39.02 3bpd s ASN 36 CO -0.04 -0.14 0.09 -0.63 -2.79 0.00 0.00 177.10 173.59 3bpd s ILE 37 N 1.15 4.36 -0.20 -5.21 1.01 -1.26 -0.87 121.20 120.18 3bpd s ILE 37 Ca -0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3bpd s ILE 37 Cb -0.18 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3bpd s ILE 37 CO -0.07 0.26 0.07 -2.28 0.00 0.00 0.00 174.94 172.92 3bpd s HIS 38 N 1.61 3.21 -0.41 3.97 5.65 -0.20 -4.96 115.29 124.16 3bpd s HIS 38 Ca 0.06 -0.02 -0.28 0.00 0.25 0.00 0.00 55.06 55.07 3bpd s HIS 38 Cb -0.16 -2.12 0.02 0.00 -1.18 0.00 0.00 32.58 29.15 3bpd s HIS 38 CO 0.04 0.05 1.08 -1.17 -0.65 0.00 0.00 174.74 174.09 3bpd s LEU 39 N 0.64 3.80 -0.13 8.88 2.96 -1.26 -0.53 118.68 133.05 3bpd s LEU 39 Ca 0.03 0.65 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 3bpd s LEU 39 Cb -0.13 -3.49 -0.26 0.00 0.50 0.00 0.00 46.19 42.81 3bpd s LEU 39 CO 0.02 -1.07 0.69 0.28 -1.32 0.00 0.00 176.35 174.94 3bpd h SER 40 N 8.75 0.14 -4.68 3.68 0.02 -1.50 -3.48 113.55 116.48 3bpd h SER 40 Ca -0.22 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 59.88 3bpd h SER 40 Cb 1.06 -0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 3bpd h SER 40 CO 1.07 1.22 0.39 -0.70 -1.14 0.00 0.00 176.83 177.68 3bpd s GLU 41 N -2.31 0.91 -0.13 3.45 2.12 -1.00 -5.00 118.70 116.74 3bpd s GLU 41 Ca -0.20 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 54.99 3bpd s GLU 41 Cb -0.00 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.83 3bpd s GLU 41 CO 0.71 -0.36 -0.13 0.42 -0.54 0.00 0.00 175.26 175.36 3bpd s ILE 42 N -2.51 1.45 0.00 -3.70 1.01 -1.26 -0.56 121.20 115.63 3bpd s ILE 42 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3bpd s ILE 42 Cb -0.01 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3bpd s ILE 42 CO -0.04 0.44 0.00 0.47 0.00 0.00 0.00 174.94 175.80 3bpd n ASP 43 N 4.60 0.31 0.12 3.58 9.92 -0.22 -5.00 116.55 129.86 3bpd n ASP 43 Ca -0.17 -0.41 0.12 0.00 -0.53 0.00 0.00 54.79 53.80 3bpd n ASP 43 Cb 0.50 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.46 3bpd n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bpd n GLN 44 N -0.35 0.19 0.00 -1.24 6.02 -1.26 -4.05 117.38 116.69 3bpd n GLN 44 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 3bpd n GLN 44 Cb 0.00 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.42 3bpd n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bpd n ALA 45 N -1.76 0.91 -2.96 -1.58 0.00 -1.26 -5.09 120.51 108.77 3bpd n ALA 45 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3bpd n ALA 45 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3bpd n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bpd s THR 46 N 0.00 0.00 0.01 0.00 -4.23 -1.26 -3.63 115.64 106.53 3bpd s THR 46 Ca 0.00 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3bpd s THR 46 Cb 0.00 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 3bpd s THR 46 CO 0.00 0.00 0.03 -1.61 -0.54 0.00 0.00 174.62 172.50 3bpd s GLU 47 N -3.21 0.30 -0.22 3.99 2.02 0.16 -1.06 118.70 120.68 3bpd s GLU 47 Ca 0.29 -0.41 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 3bpd s GLU 47 Cb -0.00 0.11 -0.01 0.00 0.10 0.00 0.00 34.13 34.33 3bpd s GLU 47 CO 0.18 -0.06 -0.05 -0.80 0.02 0.00 0.00 175.26 174.55 3bpd s ASN 48 N -1.11 4.27 0.19 -0.19 0.01 0.28 -1.81 114.94 116.58 3bpd s ASN 48 Ca -0.12 -0.39 0.11 0.00 -0.71 0.00 0.00 52.86 51.75 3bpd s ASN 48 Cb -0.07 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 3bpd s ASN 48 CO -0.00 -0.01 -0.23 0.27 -1.51 0.00 0.00 177.10 175.62 3bpd s ILE 49 N 1.43 2.27 -0.38 0.60 -4.36 0.18 -1.19 121.20 119.74 3bpd s ILE 49 Ca 0.05 -2.03 -0.08 0.00 -0.26 0.00 0.00 60.65 58.33 3bpd s ILE 49 Cb -0.14 -2.08 0.06 0.00 1.25 0.00 0.00 42.46 41.55 3bpd s ILE 49 CO -0.03 -0.16 0.19 -0.75 0.24 0.00 0.00 174.94 174.43 3bpd s LYS 50 N -2.72 2.60 -0.24 0.37 2.47 0.31 0.01 119.74 122.53 3bpd s LYS 50 Ca 0.20 -1.33 -0.11 0.00 -1.56 0.00 0.00 55.97 53.17 3bpd s LYS 50 Cb -0.07 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.60 3bpd s LYS 50 CO 0.09 -0.83 0.17 0.42 0.16 0.00 0.00 175.35 175.36 3bpd s ILE 51 N 1.42 5.35 -0.27 5.43 1.01 0.46 -1.03 121.20 133.56 3bpd s ILE 51 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 3bpd s ILE 51 Cb -0.21 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3bpd s ILE 51 CO 0.03 0.33 0.00 -0.89 0.00 0.00 0.00 174.94 174.41 3bpd s THR 52 N 1.15 3.31 -0.15 2.92 2.01 -0.05 -0.12 115.64 124.71 3bpd s THR 52 Ca 0.08 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3bpd s THR 52 Cb -0.14 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 3bpd s THR 52 CO 0.05 0.11 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.40 3bpd s ILE 53 N 1.38 3.56 -0.10 1.82 1.01 -0.39 -1.21 121.20 127.27 3bpd s ILE 53 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3bpd s ILE 53 Cb -0.17 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3bpd s ILE 53 CO -0.01 0.50 -0.21 -0.22 0.00 0.00 0.00 174.94 174.99 3bpd s LEU 54 N 0.43 2.25 0.00 2.97 2.96 -0.85 -1.09 118.68 125.35 3bpd s LEU 54 Ca -0.06 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3bpd s LEU 54 Cb -0.15 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3bpd s LEU 54 CO 0.04 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 3bpd n GLY 55 N 3.38 1.38 3.04 7.98 0.00 0.11 0.15 105.19 121.24 3bpd n GLY 55 Ca -0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 1.68 1.79 -0.80 1.61 3.04 -0.39 -4.21 114.94 117.67 3bpd s ASN 56 Ca 0.00 -0.30 -0.00 0.00 0.04 0.00 0.00 52.86 52.60 3bpd s ASN 56 Cb 0.00 -0.76 0.00 0.00 -1.54 0.00 0.00 41.25 38.95 3bpd s ASN 56 CO 0.00 0.05 0.64 -3.20 -3.04 0.00 0.00 177.10 171.55 3bpd n ASN 57 N 3.68 -5.91 -4.74 -4.21 2.85 -0.79 -4.65 115.26 101.48 3bpd n ASN 57 Ca -0.22 -0.65 -0.40 0.00 -0.11 0.00 0.00 54.58 53.20 3bpd n ASN 57 Cb 0.52 -3.00 -0.05 0.00 1.24 0.00 0.00 39.78 38.49 3bpd n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3bpd s LEU 58 N -4.66 4.45 -0.48 1.20 1.43 -0.67 -4.81 118.68 115.13 3bpd s LEU 58 Ca 0.01 1.46 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 3bpd s LEU 58 Cb -0.00 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 43.01 3bpd s LEU 58 CO 0.84 0.01 0.72 -0.62 0.23 0.00 0.00 176.35 177.53 3bpd s ASP 59 N -0.03 6.31 0.08 2.29 3.68 -1.26 -4.55 116.67 123.18 3bpd s ASP 59 Ca 0.39 -0.48 -0.24 0.00 2.13 0.00 0.00 52.55 54.35 3bpd s ASP 59 Cb -0.21 -2.34 -0.16 0.00 -1.45 0.00 0.00 42.92 38.76 3bpd s ASP 59 CO 0.23 -0.93 1.68 0.22 0.13 0.00 0.00 175.17 176.50 3bpd h TYR 60 N 9.02 -0.06 -0.78 -5.34 3.20 -1.99 -1.94 116.97 119.08 3bpd h TYR 60 Ca -0.26 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.72 3bpd h TYR 60 Cb 1.09 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.30 3bpd h TYR 60 CO 0.78 0.01 0.41 0.93 -1.64 0.00 0.00 178.16 178.65 3bpd h GLU 61 N -0.12 0.64 -0.80 1.82 4.39 -1.98 0.48 114.58 119.01 3bpd h GLU 61 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3bpd h GLU 61 Cb 0.10 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3bpd h GLU 61 CO 0.01 0.42 0.51 0.37 -1.16 0.00 0.00 179.01 179.17 3bpd h GLN 62 N 0.66 1.07 -0.16 2.33 4.15 -1.92 0.23 115.11 121.46 3bpd h GLN 62 Ca 0.40 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 3bpd h GLN 62 Cb 0.45 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 3bpd h GLN 62 CO -0.29 0.73 -0.09 0.82 -1.93 0.00 0.00 178.83 178.06 3bpd h ILE 63 N 1.09 1.32 0.00 2.39 2.04 -0.25 -1.64 117.51 122.47 3bpd h ILE 63 Ca 0.29 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3bpd h ILE 63 Cb -0.09 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3bpd h ILE 63 CO -0.06 0.34 -0.01 0.50 0.00 0.00 0.00 178.15 178.92 3bpd h LYS 64 N 0.02 0.00 -0.01 2.37 3.64 0.14 -1.47 116.57 121.25 3bpd h LYS 64 Ca 0.03 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 3bpd h LYS 64 Cb 0.58 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3bpd h LYS 64 CO 0.03 0.01 -0.95 0.78 -2.27 0.00 0.00 179.45 177.05 3bpd h GLY 65 N 0.04 0.58 0.83 5.01 0.00 -0.15 -1.40 103.07 107.99 3bpd h GLY 65 Ca -0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.32 3bpd h GLY 65 CO 0.00 0.87 0.02 -2.08 0.00 0.00 0.00 176.54 175.35 3bpd h VAL 66 N 0.30 1.24 -0.53 4.60 2.07 -0.34 -1.36 116.25 122.22 3bpd h VAL 66 Ca -0.09 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3bpd h VAL 66 Cb 1.58 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 3bpd h VAL 66 CO 0.17 0.24 0.31 0.40 0.02 0.00 0.00 177.57 178.72 3bpd h ILE 67 N 0.12 1.17 -0.40 4.57 2.04 -1.35 -2.95 117.51 120.71 3bpd h ILE 67 Ca 0.06 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 3bpd h ILE 67 Cb 0.35 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3bpd h ILE 67 CO 0.01 0.18 -0.18 -0.33 0.00 0.00 0.00 178.15 177.82 3bpd h GLU 68 N 0.72 0.77 -1.97 2.37 5.08 -1.20 -0.42 114.58 119.92 3bpd h GLU 68 Ca 0.19 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3bpd h GLU 68 Cb 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3bpd h GLU 68 CO -0.03 0.89 0.00 -0.25 -1.00 0.00 0.00 179.01 178.62 3bpd n ASP 69 N -4.13 0.78 0.00 1.42 8.00 -0.52 -4.07 116.55 118.04 3bpd n ASP 69 Ca 0.01 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3bpd n ASP 69 Cb 0.41 -0.16 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 1.71 -0.57 3.95 0.44 0.00 -1.19 -5.11 105.19 104.42 3bpd n GLY 71 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.12 1.52 0.01 -0.02 0.00 -0.17 -4.42 107.32 104.12 3bpd s GLY 72 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.72 3bpd s GLY 72 CO 0.00 -0.86 -0.04 0.54 0.00 0.00 0.00 173.10 172.74 3bpd s VAL 73 N -2.51 0.26 -0.23 1.40 0.11 -0.53 -3.42 120.40 115.49 3bpd s VAL 73 Ca 0.47 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.83 3bpd s VAL 73 Cb -0.10 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 3bpd s VAL 73 CO 0.38 -0.12 0.79 -0.63 -3.33 0.00 0.00 175.10 172.19 3bpd s ILE 74 N -0.57 4.87 -0.05 7.04 1.01 -1.26 -2.09 121.20 130.15 3bpd s ILE 74 Ca -0.04 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.04 3bpd s ILE 74 Cb -0.04 -4.09 -0.29 0.00 0.01 0.00 0.00 42.46 38.05 3bpd s ILE 74 CO -0.00 -0.03 0.64 0.45 0.00 0.00 0.00 174.94 176.00 3bpd h HIS 75 N 7.63 0.58 -2.53 3.97 3.86 -0.51 -3.49 115.15 124.66 3bpd h HIS 75 Ca -0.25 -0.42 0.02 0.00 -1.16 0.00 0.00 60.37 58.56 3bpd h HIS 75 Cb 1.11 -0.02 -0.15 0.00 1.06 0.00 0.00 27.41 29.41 3bpd h HIS 75 CO 0.74 1.61 0.32 -1.54 0.86 0.00 0.00 177.93 179.92 3bpd s SER 76 N -7.11 -0.50 -0.41 2.45 1.04 -1.16 -5.00 113.70 103.01 3bpd s SER 76 Ca -0.15 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 3bpd s SER 76 Cb 0.06 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.74 3bpd s SER 76 CO 0.83 -0.76 0.26 -0.69 0.98 0.00 0.00 173.24 173.86 3bpd s VAL 77 N -3.01 4.56 -0.23 5.02 1.01 -1.26 -1.01 120.40 125.47 3bpd s VAL 77 Ca 0.00 -1.11 0.19 0.00 0.00 0.00 0.00 61.98 61.06 3bpd s VAL 77 Cb -0.01 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.77 3bpd s VAL 77 CO -0.08 -0.41 1.25 0.44 0.00 0.00 0.00 175.10 176.31 3bpd h ASP 78 N 8.48 0.00 -3.82 3.32 3.32 -1.05 -3.47 116.42 123.20 3bpd h ASP 78 Ca -0.25 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3bpd h ASP 78 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 3bpd h ASP 78 CO 0.74 0.29 0.10 -0.70 -1.72 0.00 0.00 179.24 177.95 3bpd s GLU 79 N -3.10 0.81 0.00 3.56 2.12 -1.22 -4.96 118.70 115.91 3bpd s GLU 79 Ca 0.02 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.40 3bpd s GLU 79 Cb 0.08 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.82 3bpd s GLU 79 CO 0.75 -0.11 -0.07 0.08 -0.54 0.00 0.00 175.26 175.37 3bpd s VAL 80 N 0.60 0.57 -0.04 3.70 1.01 -1.26 -1.08 120.40 123.90 3bpd s VAL 80 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3bpd s VAL 80 Cb -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3bpd s VAL 80 CO -0.03 0.08 -0.14 -0.69 0.00 0.00 0.00 175.10 174.32 3bpd s VAL 81 N -0.34 1.20 0.05 2.92 1.01 0.04 -4.96 120.40 120.32 3bpd s VAL 81 Ca 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3bpd s VAL 81 Cb -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3bpd s VAL 81 CO -0.00 0.36 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 3bpd s ALA 82 N 0.17 0.40 0.00 5.51 0.00 -1.26 -0.30 121.76 126.28 3bpd s ALA 82 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3bpd s ALA 82 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3bpd s ALA 82 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3bpd n GLY 83 N 0.28 -1.46 0.18 0.00 0.00 -0.49 -4.74 105.19 98.96 3bpd n GLY 83 Ca -0.15 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.60 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 3.97 0.37 -6.21 1.61 1.57 -1.90 -3.38 116.57 112.59 3bpd h LYS 84 Ca 0.00 -0.27 -0.68 0.00 -1.87 0.00 0.00 60.65 57.82 3bpd h LYS 84 Cb 0.00 0.05 -0.19 0.00 0.08 0.00 0.00 32.23 32.17 3bpd h LYS 84 CO 0.00 0.89 -0.71 0.42 -0.57 0.00 0.00 179.45 179.49 3bpd s ILE 85 N -3.75 3.61 -0.54 1.86 1.01 -1.26 -4.90 121.20 117.23 3bpd s ILE 85 Ca -0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 3bpd s ILE 85 Cb 0.11 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3bpd s ILE 85 CO 0.82 0.54 1.42 -0.63 0.00 0.00 0.00 174.94 177.09 3bpd s ILE 86 N -0.86 3.80 -0.23 2.92 -1.09 -1.26 -4.82 121.20 119.67 3bpd s ILE 86 Ca 0.14 0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 59.12 3bpd s ILE 86 Cb -0.11 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 3bpd s ILE 86 CO 0.03 -1.09 0.35 -0.69 -1.23 0.00 0.00 174.94 172.31 3bpd s VAL 87 N 6.00 5.22 0.39 2.92 1.01 -1.26 -5.08 120.40 129.60 3bpd s VAL 87 Ca 0.54 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 3bpd s VAL 87 Cb -0.11 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3bpd s VAL 87 CO 0.26 0.24 0.69 -1.61 0.00 0.00 0.00 175.10 174.68 3bpd s GLU 88 N 1.47 3.63 0.00 2.72 0.41 -1.26 -4.95 118.70 120.73 3bpd s GLU 88 Ca 0.16 0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 3bpd s GLU 88 Cb -0.15 -2.49 -0.05 0.00 -1.78 0.00 0.00 34.13 29.66 3bpd s GLU 88 CO 0.08 0.00 1.33 0.45 -0.49 0.00 0.00 175.26 176.63 3bpd s SER 89 N -3.54 6.92 -0.80 -0.19 0.15 -1.26 -4.96 113.70 110.01 3bpd s SER 89 Ca 0.47 2.05 -0.26 0.00 0.70 0.00 0.00 55.95 58.91 3bpd s SER 89 Cb -0.10 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3bpd s SER 89 CO 0.36 -0.65 1.29 -0.69 1.20 0.00 0.00 173.24 174.74 3bpd s VAL 90 N 2.11 3.83 -2.00 4.45 1.01 -1.26 -5.32 120.40 123.22 3bpd s VAL 90 Ca 0.61 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.74 3bpd s VAL 90 Cb -0.30 -4.93 0.28 0.00 0.00 0.00 0.00 36.38 31.43 3bpd s VAL 90 CO 0.26 -1.84 1.03 -1.84 0.00 0.00 0.00 175.10 172.71