#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 3.34 0.00 2.46 1.43 -1.26 -4.87 118.68 119.78 3bpd s LEU 1 Ca 0.00 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3bpd s LEU 1 Cb 0.00 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3bpd s LEU 1 CO 0.00 -1.90 0.06 2.29 0.23 0.00 0.00 176.35 177.03 3bpd n LYS 2 N 8.90 0.08 0.00 1.70 2.85 -1.25 -4.27 118.16 126.18 3bpd n LYS 2 Ca 0.13 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 3bpd n LYS 2 Cb 0.50 0.32 0.00 0.00 -0.65 0.00 0.00 35.03 35.20 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 -0.07 0.93 3.70 2.58 0.00 -1.26 -1.63 105.19 109.44 3bpd n GLY 3 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 4.38 -0.13 0.99 1.43 -1.26 -0.31 118.68 123.77 3bpd s LEU 4 Ca 0.00 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.75 3bpd s LEU 4 Cb 0.00 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 3bpd s LEU 4 CO 0.00 -0.92 -0.12 0.54 0.23 0.00 0.00 176.35 176.08 3bpd n ARG 5 N 5.07 0.32 -3.89 1.70 5.12 0.33 -1.36 116.66 123.95 3bpd n ARG 5 Ca 0.16 0.08 -0.11 0.00 -1.93 0.00 0.00 57.85 56.05 3bpd n ARG 5 Cb 0.39 -1.25 -0.12 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.26 0.22 0.02 5.56 3.52 -1.03 0.12 118.95 125.10 3bpd s ARG 6 Ca -0.17 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 3bpd s ARG 6 Cb 0.05 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 3bpd s ARG 6 CO 0.30 -0.04 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.18 3bpd s LEU 7 N -0.68 2.12 -0.16 -0.88 1.43 -0.04 -1.23 118.68 119.23 3bpd s LEU 7 Ca -0.08 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3bpd s LEU 7 Cb -0.05 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.01 3bpd s LEU 7 CO 0.00 -0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 175.70 3bpd s VAL 8 N -0.67 1.57 -0.09 -1.59 1.01 -0.67 -0.25 120.40 119.72 3bpd s VAL 8 Ca -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3bpd s VAL 8 Cb -0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3bpd s VAL 8 CO 0.00 0.37 -0.18 -0.76 0.00 0.00 0.00 175.10 174.53 3bpd s LEU 9 N 1.47 2.44 -0.47 3.92 1.43 0.20 -1.59 118.68 126.08 3bpd s LEU 9 Ca 0.03 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 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 0.22 0.62 -0.62 0.23 0.00 0.00 176.35 176.70 3bpd s ASP 10 N 0.01 6.27 0.02 2.29 3.68 -0.10 -0.60 116.67 128.23 3bpd s ASP 10 Ca -0.06 -0.62 0.08 0.00 2.13 0.00 0.00 52.55 54.08 3bpd s ASP 10 Cb -0.15 -2.30 -0.03 0.00 -1.45 0.00 0.00 42.92 39.00 3bpd s ASP 10 CO 0.05 -0.82 -0.23 -0.69 0.13 0.00 0.00 175.17 173.61 3bpd s VAL 11 N 2.70 2.37 -0.14 1.11 1.01 -0.16 -0.27 120.40 127.03 3bpd s VAL 11 Ca 0.18 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 3bpd s VAL 11 Cb -0.16 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3bpd s VAL 11 CO 0.15 0.44 -0.14 -0.22 0.00 0.00 0.00 175.10 175.33 3bpd s LEU 12 N -1.08 2.64 0.16 3.92 2.96 -0.75 -0.70 118.68 125.83 3bpd s LEU 12 Ca 0.12 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3bpd s LEU 12 Cb -0.10 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3bpd s LEU 12 CO 0.02 0.14 0.23 -1.59 -1.32 0.00 0.00 176.35 173.83 3bpd s LYS 13 N 0.52 1.11 1.04 1.98 -2.85 -0.87 -1.93 119.74 118.74 3bpd s LYS 13 Ca -0.09 -1.24 -0.14 0.00 -1.00 0.00 0.00 55.97 53.49 3bpd s LYS 13 Cb -0.16 0.35 0.21 0.00 -2.06 0.00 0.00 37.83 36.17 3bpd s LYS 13 CO 0.04 -0.39 1.12 -2.14 0.10 0.00 0.00 175.35 174.08 3bpd s PRO 14 N -3.99 0.08 0.37 1.78 0.02 -1.26 -1.25 135.00 130.75 3bpd s PRO 14 Ca 0.19 0.24 0.09 0.00 0.02 0.00 0.00 61.00 61.54 3bpd s PRO 14 Cb 0.04 -1.72 0.73 0.00 0.02 0.00 0.00 34.50 33.58 3bpd s PRO 14 CO 0.01 -2.91 1.88 0.45 -0.33 0.00 0.00 177.00 176.10 3bpd h HIS 15 N -2.01 0.25 -4.36 6.54 3.86 -1.81 -3.42 115.15 114.20 3bpd h HIS 15 Ca -0.51 -0.03 -0.70 0.00 -1.16 0.00 0.00 60.37 57.97 3bpd h HIS 15 Cb 1.32 -0.07 -0.27 0.00 1.06 0.00 0.00 27.41 29.45 3bpd h HIS 15 CO -0.46 0.40 -0.84 -1.21 0.86 0.00 0.00 177.93 176.69 3bpd s GLU 16 N -4.64 2.26 0.57 2.45 0.41 -1.26 -3.72 118.70 114.77 3bpd s GLU 16 Ca -0.05 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.49 3bpd s GLU 16 Cb 0.15 -2.18 -0.05 0.00 -1.78 0.00 0.00 34.13 30.28 3bpd s GLU 16 CO 0.74 0.58 1.07 -2.14 -0.49 0.00 0.00 175.26 175.02 3bpd s PRO 17 N -0.69 3.36 1.03 0.39 0.02 -1.26 -4.97 135.00 132.88 3bpd s PRO 17 Ca 0.11 1.34 -0.14 0.00 0.02 0.00 0.00 61.00 62.32 3bpd s PRO 17 Cb -0.10 -2.03 0.10 0.00 0.02 0.00 0.00 34.50 32.48 3bpd s PRO 17 CO -0.00 -0.79 0.41 1.63 -0.33 0.00 0.00 177.00 177.91 3bpd n LYS 18 N -1.70 -0.96 0.14 5.54 5.02 -1.24 -4.80 118.16 120.15 3bpd n LYS 18 Ca 0.10 -0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 3bpd n LYS 18 Cb 0.52 -1.89 0.19 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.88 1.42 0.00 -0.18 1.35 -1.96 -2.38 112.91 109.29 3bpd h THR 19 Ca -0.49 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 3bpd h THR 19 Cb 1.31 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3bpd h THR 19 CO 0.38 0.58 -0.03 0.16 -0.25 0.00 0.00 175.52 176.35 3bpd h ILE 20 N 0.00 0.82 -0.10 6.82 3.07 -1.99 -1.06 117.51 125.09 3bpd h ILE 20 Ca -0.01 -0.12 -0.11 0.00 1.55 0.00 0.00 64.86 66.17 3bpd h ILE 20 Cb 1.05 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 3bpd h ILE 20 CO 0.08 0.03 -0.38 0.58 -1.05 0.00 0.00 178.15 177.41 3bpd h VAL 21 N 0.00 1.39 -0.30 0.16 2.07 -1.76 -2.24 116.25 115.56 3bpd h VAL 21 Ca -0.00 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 3bpd h VAL 21 Cb 0.07 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3bpd h VAL 21 CO 0.00 0.51 0.01 -0.26 0.02 0.00 0.00 177.57 177.86 3bpd h PHE 22 N -0.01 0.47 -0.12 1.57 -1.00 -1.30 -2.23 116.94 114.32 3bpd h PHE 22 Ca -0.02 -0.04 -0.22 0.00 2.81 0.00 0.00 57.97 60.50 3bpd h PHE 22 Cb 1.02 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.45 3bpd h PHE 22 CO 0.12 0.46 -0.81 0.00 -1.61 0.00 0.00 178.31 176.47 3bpd h ALA 23 N 1.58 0.35 0.06 2.45 0.00 -1.23 -2.66 119.26 119.81 3bpd h ALA 23 Ca 0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3bpd h ALA 23 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bpd h ALA 23 CO 0.01 0.71 -0.03 -0.07 0.00 0.00 0.00 179.25 179.86 3bpd h LEU 24 N 0.46 -0.07 -0.82 0.00 3.38 -1.11 -1.18 115.31 115.97 3bpd h LEU 24 Ca -0.06 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3bpd h LEU 24 Cb 1.43 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 3bpd h LEU 24 CO 0.16 0.07 0.37 0.11 0.09 0.00 0.00 178.44 179.24 3bpd h LYS 25 N -0.20 1.19 -0.24 1.13 1.79 -1.49 -2.02 116.57 116.74 3bpd h LYS 25 Ca -0.01 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.12 3bpd h LYS 25 Cb 0.17 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3bpd h LYS 25 CO 0.01 0.93 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.78 3bpd h LEU 26 N 1.17 0.67 -1.76 2.94 3.38 -1.45 -2.82 115.31 117.44 3bpd h LEU 26 Ca 0.28 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3bpd h LEU 26 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3bpd h LEU 26 CO -0.03 1.04 -0.09 0.77 0.09 0.00 0.00 178.44 180.21 3bpd h SER 27 N 0.49 0.00 -0.09 -0.43 4.64 -0.86 -2.64 113.55 114.66 3bpd h SER 27 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3bpd h SER 27 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3bpd h SER 27 CO 0.09 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 3bpd n GLU 28 N -3.35 1.47 -2.72 4.77 1.02 -0.79 -4.78 120.64 116.26 3bpd n GLU 28 Ca -0.01 -0.70 -0.38 0.00 -0.02 0.00 0.00 57.16 56.05 3bpd n GLU 28 Cb 0.28 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.67 4.43 0.26 -4.62 1.43 -1.00 -4.98 118.68 112.52 3bpd s LEU 29 Ca 0.33 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 55.06 3bpd s LEU 29 Cb 0.17 -3.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 3bpd s LEU 29 CO 0.27 -0.05 1.32 -1.61 0.23 0.00 0.00 176.35 176.51 3bpd s GLU 30 N -1.79 4.38 0.00 1.70 2.02 -1.26 -2.53 118.70 121.22 3bpd s GLU 30 Ca 0.48 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.60 3bpd s GLU 30 Cb -0.22 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.87 3bpd s GLU 30 CO 0.28 -0.23 0.00 0.09 0.02 0.00 0.00 175.26 175.42 3bpd n ASN 31 N 1.88 0.00 -4.70 -0.19 3.02 -1.26 -4.91 115.26 109.10 3bpd n ASN 31 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 3bpd n ASN 31 Cb 0.42 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.58 5.01 -0.06 2.41 1.01 -1.05 -1.68 120.40 123.46 3bpd s VAL 32 Ca 0.00 1.43 0.14 0.00 0.00 0.00 0.00 61.98 63.55 3bpd s VAL 32 Cb 0.00 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.13 3bpd s VAL 32 CO 0.00 0.19 0.69 0.47 0.00 0.00 0.00 175.10 176.45 3bpd n ASP 33 N 4.25 0.85 -3.63 3.32 8.00 0.40 -4.91 116.55 124.84 3bpd n ASP 33 Ca -0.00 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.90 3bpd n ASP 33 Cb 0.51 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 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 -5.04 -0.38 -0.08 0.44 0.00 -1.17 -5.03 107.32 96.07 3bpd s GLY 34 Ca -0.04 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 3bpd s GLY 34 CO 0.82 0.17 0.18 0.14 0.00 0.00 0.00 173.10 174.41 3bpd s VAL 35 N -2.53 -0.04 -0.18 1.40 1.01 -1.26 -2.15 120.40 116.65 3bpd s VAL 35 Ca 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3bpd s VAL 35 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 3bpd s VAL 35 CO -0.03 0.06 -0.12 0.21 0.00 0.00 0.00 175.10 175.21 3bpd s ASN 36 N 1.04 3.81 -0.19 3.32 3.84 -0.05 -4.98 114.94 121.72 3bpd s ASN 36 Ca -0.08 -0.47 -0.01 0.00 0.21 0.00 0.00 52.86 52.52 3bpd s ASN 36 Cb -0.10 -1.61 0.01 0.00 -0.55 0.00 0.00 41.25 39.00 3bpd s ASN 36 CO -0.06 0.04 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.51 3bpd s ILE 37 N 1.11 2.49 -0.13 -5.21 1.01 -1.26 -0.56 121.20 118.65 3bpd s ILE 37 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3bpd s ILE 37 Cb -0.14 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3bpd s ILE 37 CO -0.04 0.49 -0.01 -2.28 0.00 0.00 0.00 174.94 173.11 3bpd s HIS 38 N 1.35 3.11 -0.49 3.97 5.65 -0.33 -4.97 115.29 123.58 3bpd s HIS 38 Ca 0.05 -0.05 -0.26 0.00 0.25 0.00 0.00 55.06 55.05 3bpd s HIS 38 Cb -0.14 -1.91 0.03 0.00 -1.18 0.00 0.00 32.58 29.38 3bpd s HIS 38 CO -0.10 0.18 0.96 -1.17 -0.65 0.00 0.00 174.74 173.97 3bpd s LEU 39 N -0.11 3.96 -0.12 8.88 2.96 -1.26 -1.04 118.68 131.95 3bpd s LEU 39 Ca 0.04 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 3bpd s LEU 39 Cb -0.13 -3.15 -0.25 0.00 0.50 0.00 0.00 46.19 43.16 3bpd s LEU 39 CO 0.02 -1.12 0.84 0.28 -1.32 0.00 0.00 176.35 175.05 3bpd h SER 40 N 9.16 -0.00 -4.76 3.68 0.02 -0.60 -3.49 113.55 117.57 3bpd h SER 40 Ca -0.24 -0.90 -0.04 0.00 -0.84 0.00 0.00 61.79 59.77 3bpd h SER 40 Cb 1.07 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.42 3bpd h SER 40 CO 1.05 0.90 0.22 -0.70 -1.14 0.00 0.00 176.83 177.17 3bpd s GLU 41 N -2.55 0.98 -0.09 3.45 2.12 -0.78 -4.97 118.70 116.86 3bpd s GLU 41 Ca -0.18 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.50 3bpd s GLU 41 Cb -0.02 0.46 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 3bpd s GLU 41 CO 0.68 -0.28 -0.08 0.42 -0.54 0.00 0.00 175.26 175.45 3bpd s ILE 42 N -0.96 3.54 0.22 -3.70 1.01 -1.26 0.09 121.20 120.14 3bpd s ILE 42 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3bpd s ILE 42 Cb -0.01 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 3bpd s ILE 42 CO 0.08 0.57 0.04 0.47 0.00 0.00 0.00 174.94 176.09 3bpd n ASP 43 N 2.63 1.87 -0.09 3.58 9.92 -0.50 -4.99 116.55 128.96 3bpd n ASP 43 Ca -0.18 -2.05 -0.06 0.00 -0.53 0.00 0.00 54.79 51.97 3bpd n ASP 43 Cb 0.53 0.33 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 3bpd n ASP 43 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3bpd h GLN 44 N 0.00 -0.05 0.00 -1.24 4.20 -2.03 -3.32 115.11 112.67 3bpd h GLN 44 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3bpd h GLN 44 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3bpd h GLN 44 CO 0.29 -0.03 -0.22 0.00 -0.67 0.00 0.00 178.83 178.19 3bpd n ALA 45 N -2.68 1.95 -4.43 3.87 0.00 -1.26 -5.03 120.51 112.92 3bpd n ALA 45 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 3bpd n ALA 45 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.08 0.00 -3.77 0.00 -2.24 -1.25 -2.75 114.28 103.18 3bpd n THR 46 Ca 0.00 -1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 59.81 3bpd n THR 46 Cb 0.00 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 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 -3.32 0.69 -0.19 -0.78 2.02 -0.38 -1.41 118.70 115.33 3bpd s GLU 47 Ca 0.07 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 3bpd s GLU 47 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.54 3bpd s GLU 47 CO 0.05 -0.19 -0.12 -0.80 0.02 0.00 0.00 175.26 174.21 3bpd s ASN 48 N -1.49 3.75 0.21 -0.19 0.01 0.11 -2.04 114.94 115.30 3bpd s ASN 48 Ca -0.12 -0.49 0.09 0.00 -0.71 0.00 0.00 52.86 51.63 3bpd s ASN 48 Cb -0.04 -1.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 3bpd s ASN 48 CO 0.03 0.02 -0.17 0.27 -1.51 0.00 0.00 177.10 175.73 3bpd s ILE 49 N 1.22 1.95 -0.17 0.60 -4.36 0.12 0.19 121.20 120.76 3bpd s ILE 49 Ca 0.02 -2.19 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 3bpd s ILE 49 Cb -0.14 -2.06 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3bpd s ILE 49 CO -0.06 -0.47 -0.12 -0.54 0.24 0.00 0.00 174.94 173.99 3bpd s LYS 50 N -3.40 3.28 -0.17 0.37 -0.14 -0.21 -0.99 119.74 118.49 3bpd s LYS 50 Ca 0.23 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 54.10 3bpd s LYS 50 Cb -0.03 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 3bpd s LYS 50 CO 0.09 -0.00 -0.06 0.42 -0.76 0.00 0.00 175.35 175.03 3bpd s ILE 51 N 0.90 3.50 -0.22 2.17 1.01 0.23 -1.18 121.20 127.60 3bpd s ILE 51 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3bpd s ILE 51 Cb -0.15 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.80 3bpd s ILE 51 CO -0.01 0.48 -0.10 -0.89 0.00 0.00 0.00 174.94 174.42 3bpd s THR 52 N 0.70 2.67 -0.18 2.92 2.01 0.28 0.63 115.64 124.66 3bpd s THR 52 Ca -0.03 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 3bpd s THR 52 Cb -0.15 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3bpd s THR 52 CO 0.02 0.33 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.56 3bpd s ILE 53 N 1.33 3.13 -0.07 1.82 1.01 0.66 -0.87 121.20 128.21 3bpd s ILE 53 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3bpd s ILE 53 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 3bpd s ILE 53 CO -0.07 0.47 -0.01 -0.22 0.00 0.00 0.00 174.94 175.11 3bpd s LEU 54 N 1.05 3.50 0.00 2.97 2.96 -0.91 -0.86 118.68 127.39 3bpd s LEU 54 Ca -0.00 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bpd s LEU 54 Cb -0.15 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3bpd s LEU 54 CO -0.01 0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 3bpd n GLY 55 N 2.00 -1.50 3.43 7.98 0.00 0.12 -0.45 105.19 116.76 3bpd n GLY 55 Ca -0.18 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.02 4.08 -1.34 1.61 3.84 -0.68 -4.12 114.94 115.31 3bpd s ASN 56 Ca 0.00 -0.25 -0.21 0.00 0.21 0.00 0.00 52.86 52.60 3bpd s ASN 56 Cb 0.00 -1.30 0.03 0.00 -0.55 0.00 0.00 41.25 39.43 3bpd s ASN 56 CO 0.00 0.25 0.40 -3.20 -2.79 0.00 0.00 177.10 171.76 3bpd n ASN 57 N 2.98 -2.04 -4.76 -4.21 5.15 -0.46 -4.81 115.26 107.11 3bpd n ASN 57 Ca -0.18 -1.29 -0.36 0.00 -0.60 0.00 0.00 54.58 52.14 3bpd n ASN 57 Cb 0.52 -1.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.23 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 -7.45 3.75 -0.47 1.20 1.43 -0.62 -4.83 118.68 111.69 3bpd s LEU 58 Ca 0.30 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 3bpd s LEU 58 Cb -0.17 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.67 3bpd s LEU 58 CO 0.98 -1.47 0.37 -0.62 0.23 0.00 0.00 176.35 175.83 3bpd s ASP 59 N -1.46 5.84 0.14 2.29 3.68 -1.26 -4.59 116.67 121.31 3bpd s ASP 59 Ca 0.74 -1.74 -0.24 0.00 2.13 0.00 0.00 52.55 53.45 3bpd s ASP 59 Cb -0.31 -2.07 -0.00 0.00 -1.45 0.00 0.00 42.92 39.09 3bpd s ASP 59 CO 0.35 -0.69 1.63 0.22 0.13 0.00 0.00 175.17 176.81 3bpd h TYR 60 N 8.57 -0.72 -0.83 -5.34 3.20 -1.98 0.30 116.97 120.17 3bpd h TYR 60 Ca -0.24 0.04 0.15 0.00 3.14 0.00 0.00 58.73 61.81 3bpd h TYR 60 Cb 1.08 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 39.64 3bpd h TYR 60 CO 0.65 -0.35 0.54 0.93 -1.64 0.00 0.00 178.16 178.30 3bpd h GLU 61 N -0.32 0.52 -0.26 1.82 4.39 -1.98 0.78 114.58 119.53 3bpd h GLU 61 Ca 0.11 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3bpd h GLU 61 Cb 0.49 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3bpd h GLU 61 CO -0.35 0.34 -0.35 0.37 -1.16 0.00 0.00 179.01 177.87 3bpd h GLN 62 N 0.53 0.70 -0.30 2.33 4.15 -1.63 -0.85 115.11 120.04 3bpd h GLN 62 Ca 0.41 -0.40 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 3bpd h GLN 62 Cb 0.82 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 3bpd h GLN 62 CO -0.16 1.02 -0.11 0.82 -1.93 0.00 0.00 178.83 178.47 3bpd h ILE 63 N 0.43 1.29 -0.32 2.39 2.04 0.10 -1.63 117.51 121.81 3bpd h ILE 63 Ca 0.03 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 3bpd h ILE 63 Cb 0.93 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3bpd h ILE 63 CO 0.08 0.38 -0.04 0.50 0.00 0.00 0.00 178.15 179.07 3bpd h LYS 64 N 0.37 0.51 -0.44 2.37 3.64 0.46 -2.45 116.57 121.02 3bpd h LYS 64 Ca 0.07 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3bpd h LYS 64 Cb 0.61 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3bpd h LYS 64 CO 0.04 0.57 -0.19 0.78 -2.27 0.00 0.00 179.45 178.38 3bpd h GLY 65 N 0.86 0.99 1.42 5.01 0.00 -0.89 0.05 103.07 110.52 3bpd h GLY 65 Ca 0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 3bpd h GLY 65 CO 0.02 0.80 0.00 -2.08 0.00 0.00 0.00 176.54 175.27 3bpd h VAL 66 N 0.74 1.23 -0.27 4.60 2.07 -1.04 -1.33 116.25 122.25 3bpd h VAL 66 Ca 0.10 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3bpd h VAL 66 Cb 0.76 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3bpd h VAL 66 CO 0.06 0.33 -0.04 0.40 0.02 0.00 0.00 177.57 178.34 3bpd h ILE 67 N 0.67 1.27 -0.14 4.57 2.04 -1.16 -3.18 117.51 121.58 3bpd h ILE 67 Ca 0.13 -1.03 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 3bpd h ILE 67 Cb 0.41 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3bpd h ILE 67 CO 0.02 0.32 -0.47 -0.33 0.00 0.00 0.00 178.15 177.69 3bpd h GLU 68 N 0.26 0.36 -1.98 2.37 5.08 -0.81 0.97 114.58 120.84 3bpd h GLU 68 Ca 0.07 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3bpd h GLU 68 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3bpd h GLU 68 CO 0.02 0.76 0.00 -0.25 -1.00 0.00 0.00 179.01 178.54 3bpd n ASP 69 N -3.98 1.06 -0.24 1.42 8.00 -0.52 -3.99 116.55 118.29 3bpd n ASP 69 Ca -0.02 -1.20 0.02 0.00 0.71 0.00 0.00 54.79 54.30 3bpd n ASP 69 Cb 0.54 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 1.79 0.65 3.98 0.44 0.00 -1.16 -5.11 105.19 105.77 3bpd n GLY 71 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.09 1.32 -0.02 -0.02 0.00 0.32 -4.30 107.32 103.54 3bpd s GLY 72 Ca 0.06 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.50 3bpd s GLY 72 CO 0.01 -1.28 -0.06 0.54 0.00 0.00 0.00 173.10 172.30 3bpd s VAL 73 N -2.04 0.54 -0.40 1.40 0.11 -0.81 -3.59 120.40 115.61 3bpd s VAL 73 Ca 0.37 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 3bpd s VAL 73 Cb -0.09 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3bpd s VAL 73 CO 0.30 0.18 0.97 -0.63 -3.33 0.00 0.00 175.10 172.58 3bpd s ILE 74 N 0.22 4.51 0.03 7.04 1.01 -1.26 -1.80 121.20 130.94 3bpd s ILE 74 Ca -0.03 1.16 0.10 0.00 0.00 0.00 0.00 60.65 61.88 3bpd s ILE 74 Cb -0.07 -4.40 -0.19 0.00 0.01 0.00 0.00 42.46 37.82 3bpd s ILE 74 CO -0.00 -0.65 1.07 0.45 0.00 0.00 0.00 174.94 175.81 3bpd h HIS 75 N 8.66 0.00 -1.63 3.97 3.86 -1.00 -3.48 115.15 125.53 3bpd h HIS 75 Ca -0.23 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3bpd h HIS 75 Cb 1.07 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.32 3bpd h HIS 75 CO 0.86 0.93 0.49 -1.54 0.86 0.00 0.00 177.93 179.53 3bpd s SER 76 N -6.44 -0.42 -0.46 2.45 1.04 -1.12 -5.01 113.70 103.74 3bpd s SER 76 Ca -0.01 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 3bpd s SER 76 Cb 0.09 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.66 3bpd s SER 76 CO 0.81 -0.37 0.36 -0.69 0.98 0.00 0.00 173.24 174.34 3bpd s VAL 77 N -1.03 4.97 -0.06 5.02 1.01 -1.26 -0.93 120.40 128.12 3bpd s VAL 77 Ca -0.03 -1.15 0.13 0.00 0.00 0.00 0.00 61.98 60.93 3bpd s VAL 77 Cb -0.01 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3bpd s VAL 77 CO 0.02 -0.56 1.27 0.44 0.00 0.00 0.00 175.10 176.27 3bpd h ASP 78 N 8.66 0.00 -4.09 3.32 3.32 -1.67 -3.47 116.42 122.50 3bpd h ASP 78 Ca -0.27 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 3bpd h ASP 78 Cb 1.10 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 3bpd h ASP 78 CO 0.85 0.69 -0.16 -0.70 -1.72 0.00 0.00 179.24 178.20 3bpd s GLU 79 N -2.86 0.59 -0.02 3.56 2.12 -1.18 -4.98 118.70 115.93 3bpd s GLU 79 Ca 0.02 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.88 3bpd s GLU 79 Cb 0.08 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.78 3bpd s GLU 79 CO 0.78 -0.09 0.02 0.08 -0.54 0.00 0.00 175.26 175.51 3bpd s VAL 80 N -0.01 -0.02 -0.08 3.70 1.01 -1.26 -1.67 120.40 122.06 3bpd s VAL 80 Ca -0.02 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.15 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 0.02 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.33 3bpd s VAL 81 N 0.87 1.54 0.07 2.92 1.01 -0.37 -4.98 120.40 121.47 3bpd s VAL 81 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3bpd s VAL 81 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3bpd s VAL 81 CO -0.02 0.45 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 3bpd s ALA 82 N 0.55 0.82 0.00 5.51 0.00 -1.26 0.12 121.76 127.50 3bpd s ALA 82 Ca -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3bpd s ALA 82 Cb -0.17 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3bpd s ALA 82 CO 0.06 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3bpd n GLY 83 N 0.71 0.58 0.05 0.00 0.00 0.58 -4.78 105.19 102.33 3bpd n GLY 83 Ca -0.17 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.64 3bpd n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bpd n LYS 84 N 0.00 0.66 -5.23 1.61 5.02 -1.26 -3.88 118.16 115.08 3bpd n LYS 84 Ca 0.00 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 3bpd n LYS 84 Cb 0.00 -1.56 -0.17 0.00 -0.02 0.00 0.00 35.03 33.28 3bpd n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bpd s ILE 85 N -3.15 2.07 -0.09 -0.18 -1.09 -1.26 -4.94 121.20 112.55 3bpd s ILE 85 Ca -0.08 -1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 57.02 3bpd s ILE 85 Cb 0.11 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 3bpd s ILE 85 CO 0.87 0.56 1.55 -0.63 -1.23 0.00 0.00 174.94 176.06 3bpd s ILE 86 N 0.20 3.77 -0.15 2.92 1.09 -1.26 -4.86 121.20 122.92 3bpd s ILE 86 Ca -0.15 0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 60.30 3bpd s ILE 86 Cb -0.17 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 3bpd s ILE 86 CO 0.08 -0.10 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.11 3bpd s VAL 87 N 3.97 4.03 0.09 2.92 1.01 -1.26 -5.10 120.40 126.06 3bpd s VAL 87 Ca 0.68 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 3bpd s VAL 87 Cb -0.30 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 3bpd s VAL 87 CO 0.26 0.50 0.46 -1.61 0.00 0.00 0.00 175.10 174.70 3bpd s GLU 88 N 0.24 3.87 0.46 2.72 0.41 -1.26 -4.95 118.70 120.19 3bpd s GLU 88 Ca -0.02 0.34 -0.25 0.00 -0.41 0.00 0.00 54.97 54.64 3bpd s GLU 88 Cb -0.14 -3.02 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 3bpd s GLU 88 CO 0.02 0.55 1.36 0.45 -0.49 0.00 0.00 175.26 177.16 3bpd s SER 89 N -1.62 5.91 0.00 -0.19 0.15 -1.26 -5.26 113.70 111.43 3bpd s SER 89 Ca 0.33 2.77 0.31 0.00 0.70 0.00 0.00 55.95 60.06 3bpd s SER 89 Cb -0.15 -2.64 1.70 0.00 -1.71 0.00 0.00 66.02 63.22 3bpd s SER 89 CO 0.18 -1.14 2.11 0.52 1.20 0.00 0.00 173.24 176.11