#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 1.41 0.60 1.96 -2.85 -1.26 -4.14 119.74 115.45 3bpd s LYS 2 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 3bpd s LYS 2 Cb 0.00 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 3bpd s LYS 2 CO 0.00 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 175.22 3bpd n GLY 3 N -0.47 -1.83 3.67 0.59 0.00 -1.26 -1.51 105.19 104.38 3bpd n GLY 3 Ca -0.05 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 4.42 -0.05 0.99 1.43 -1.26 -1.51 118.68 122.71 3bpd s LEU 4 Ca 0.00 2.69 0.13 0.00 -1.03 0.00 0.00 54.13 55.93 3bpd s LEU 4 Cb 0.00 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.48 3bpd s LEU 4 CO 0.00 -1.03 0.24 0.54 0.23 0.00 0.00 176.35 176.32 3bpd n ARG 5 N 6.89 0.81 -3.65 1.70 5.12 0.45 -1.09 116.66 126.90 3bpd n ARG 5 Ca 0.19 -0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.89 3bpd n ARG 5 Cb 0.40 -1.33 -0.07 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 -2.80 0.77 0.06 5.56 3.52 -1.05 -1.31 118.95 123.70 3bpd s ARG 6 Ca -0.05 0.98 0.05 0.00 -0.13 0.00 0.00 55.73 56.57 3bpd s ARG 6 Cb 0.08 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 3bpd s ARG 6 CO 0.57 -0.10 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.31 3bpd s LEU 7 N 0.57 2.25 -0.25 -0.88 1.43 -0.74 -1.24 118.68 119.83 3bpd s LEU 7 Ca -0.02 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3bpd s LEU 7 Cb -0.05 -0.51 0.07 0.00 0.03 0.00 0.00 46.19 45.73 3bpd s LEU 7 CO -0.02 -0.06 -0.00 -0.69 0.23 0.00 0.00 176.35 175.80 3bpd s VAL 8 N -1.18 1.31 -0.12 -1.59 1.01 -0.50 -1.17 120.40 118.16 3bpd s VAL 8 Ca -0.02 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 3bpd s VAL 8 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3bpd s VAL 8 CO 0.02 -0.26 -0.05 -0.76 0.00 0.00 0.00 175.10 174.05 3bpd s LEU 9 N 1.47 3.22 -0.54 3.92 1.43 -0.08 -0.53 118.68 127.57 3bpd s LEU 9 Ca -0.01 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 3bpd s LEU 9 Cb -0.18 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.34 3bpd s LEU 9 CO -0.10 0.25 0.87 -0.62 0.23 0.00 0.00 176.35 176.98 3bpd s ASP 10 N -0.13 6.32 -0.00 2.29 3.68 0.10 -2.15 116.67 126.78 3bpd s ASP 10 Ca 0.02 -0.45 0.05 0.00 2.13 0.00 0.00 52.55 54.30 3bpd s ASP 10 Cb -0.13 -2.40 -0.03 0.00 -1.45 0.00 0.00 42.92 38.90 3bpd s ASP 10 CO 0.03 -1.14 -0.13 -0.69 0.13 0.00 0.00 175.17 173.37 3bpd s VAL 11 N 3.65 3.18 -0.06 1.11 1.01 -0.86 0.37 120.40 128.80 3bpd s VAL 11 Ca 0.27 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3bpd s VAL 11 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3bpd s VAL 11 CO 0.18 0.44 -0.18 -0.22 0.00 0.00 0.00 175.10 175.32 3bpd s LEU 12 N -1.19 2.48 0.11 3.92 2.96 -0.44 -1.16 118.68 125.37 3bpd s LEU 12 Ca 0.14 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 3bpd s LEU 12 Cb -0.11 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3bpd s LEU 12 CO 0.04 0.29 0.30 -1.59 -1.32 0.00 0.00 176.35 174.07 3bpd s LYS 13 N -0.39 0.98 0.89 1.98 -2.85 -0.91 -1.09 119.74 118.35 3bpd s LYS 13 Ca 0.04 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 54.02 3bpd s LYS 13 Cb -0.12 0.41 0.12 0.00 -2.06 0.00 0.00 37.83 36.18 3bpd s LYS 13 CO 0.02 -0.35 1.11 -2.14 0.10 0.00 0.00 175.35 174.09 3bpd s PRO 14 N -3.85 1.34 0.53 1.78 0.02 -1.26 -1.28 135.00 132.28 3bpd s PRO 14 Ca 0.05 0.48 0.25 0.00 0.02 0.00 0.00 61.00 61.80 3bpd s PRO 14 Cb 0.03 -1.85 1.46 0.00 0.02 0.00 0.00 34.50 34.17 3bpd s PRO 14 CO -0.10 -2.10 2.11 0.45 -0.33 0.00 0.00 177.00 177.03 3bpd h HIS 15 N -1.43 0.00 -3.55 6.54 3.86 -1.86 -3.42 115.15 115.29 3bpd h HIS 15 Ca -0.50 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.04 3bpd h HIS 15 Cb 1.31 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.51 3bpd h HIS 15 CO 0.36 0.09 -0.78 -1.21 0.86 0.00 0.00 177.93 177.25 3bpd s GLU 16 N -4.44 3.09 0.53 2.45 0.41 -1.26 -3.31 118.70 116.17 3bpd s GLU 16 Ca -0.04 -0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 53.70 3bpd s GLU 16 Cb 0.14 -2.52 -0.06 0.00 -1.78 0.00 0.00 34.13 29.91 3bpd s GLU 16 CO 0.60 0.33 0.94 -1.25 -0.49 0.00 0.00 175.26 175.39 3bpd s PRO 17 N 0.03 3.74 0.53 0.39 0.04 -1.26 -4.92 135.00 133.54 3bpd s PRO 17 Ca -0.05 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 61.48 3bpd s PRO 17 Cb -0.14 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 3bpd s PRO 17 CO 0.04 -0.33 0.90 1.63 0.04 0.00 0.00 177.00 179.29 3bpd n LYS 18 N -2.05 0.99 -0.23 4.56 5.02 -1.21 -4.80 118.16 120.44 3bpd n LYS 18 Ca 0.05 0.37 0.25 0.00 -2.02 0.00 0.00 58.31 56.96 3bpd n LYS 18 Cb 0.54 -2.04 0.62 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.81 0.59 -0.16 -0.18 1.35 -1.95 0.12 112.91 113.49 3bpd h THR 19 Ca -0.47 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 65.36 3bpd h THR 19 Cb 1.36 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3bpd h THR 19 CO 0.52 0.04 0.11 0.16 -0.25 0.00 0.00 175.52 176.10 3bpd h ILE 20 N 0.20 0.94 0.76 6.82 3.07 -1.99 0.30 117.51 127.61 3bpd h ILE 20 Ca 0.47 -0.01 -0.04 0.00 1.55 0.00 0.00 64.86 66.83 3bpd h ILE 20 Cb 1.51 0.90 0.01 0.00 -0.27 0.00 0.00 36.82 38.97 3bpd h ILE 20 CO -0.11 0.01 -0.36 0.58 -1.05 0.00 0.00 178.15 177.22 3bpd h VAL 21 N 0.04 0.00 -0.55 0.16 2.07 -1.08 -1.11 116.25 115.78 3bpd h VAL 21 Ca 0.07 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.55 3bpd h VAL 21 Cb 0.25 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.91 3bpd h VAL 21 CO -0.00 0.00 -0.37 -0.26 0.02 0.00 0.00 177.57 176.95 3bpd h PHE 22 N -1.16 -1.06 -0.81 1.57 -1.00 -1.41 0.25 116.94 113.32 3bpd h PHE 22 Ca -0.10 0.07 0.16 0.00 2.81 0.00 0.00 57.97 60.90 3bpd h PHE 22 Cb 0.78 0.54 -0.15 0.00 3.61 0.00 0.00 35.95 40.73 3bpd h PHE 22 CO 0.02 -0.40 -0.24 0.00 -1.61 0.00 0.00 178.31 176.08 3bpd h ALA 23 N 0.80 0.42 0.49 2.45 0.00 -0.89 -1.19 119.26 121.35 3bpd h ALA 23 Ca 0.20 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3bpd h ALA 23 Cb 0.56 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3bpd h ALA 23 CO -0.66 -0.46 -0.24 -0.07 0.00 0.00 0.00 179.25 177.82 3bpd h LEU 24 N -0.02 -0.56 -1.15 0.00 -0.00 0.71 -0.30 115.31 113.99 3bpd h LEU 24 Ca 0.37 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 3bpd h LEU 24 Cb 0.60 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 3bpd h LEU 24 CO -0.84 -0.37 0.61 0.11 -0.00 0.00 0.00 178.44 177.95 3bpd h LYS 25 N -0.73 0.00 0.02 1.13 1.79 -0.53 0.20 116.57 118.46 3bpd h LYS 25 Ca -0.07 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.03 3bpd h LYS 25 Cb 0.51 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 3bpd h LYS 25 CO 0.11 0.00 -2.36 1.28 -1.08 0.00 0.00 179.45 177.40 3bpd n LEU 26 N -2.71 2.14 0.27 2.94 4.77 -0.49 -4.19 117.00 119.72 3bpd n LEU 26 Ca -0.01 -0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3bpd n LEU 26 Cb 0.64 -0.56 0.72 0.00 -2.33 0.00 0.00 43.42 41.89 3bpd n LEU 26 CO 0.08 0.80 1.07 0.77 -1.33 0.00 0.00 177.39 178.77 3bpd h SER 27 N 0.01 0.00 -0.42 -1.43 4.64 0.12 -1.83 113.55 114.63 3bpd h SER 27 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3bpd h SER 27 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 3bpd h SER 27 CO -0.03 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 3bpd n GLU 28 N -4.27 2.00 -1.65 4.77 1.02 -0.52 -4.78 120.64 117.20 3bpd n GLU 28 Ca -0.03 -1.55 -0.30 0.00 -0.02 0.00 0.00 57.16 55.26 3bpd n GLU 28 Cb 0.11 -1.34 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 -1.02 2.86 0.02 -4.62 1.43 -0.69 -4.99 118.68 111.66 3bpd s LEU 29 Ca 0.29 1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 54.49 3bpd s LEU 29 Cb 0.15 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 3bpd s LEU 29 CO 0.20 -1.60 0.85 -0.70 0.23 0.00 0.00 176.35 175.33 3bpd s GLU 30 N -5.17 4.54 0.00 1.70 2.12 -1.26 -3.56 118.70 117.07 3bpd s GLU 30 Ca 0.59 1.21 0.00 0.00 0.36 0.00 0.00 54.97 57.13 3bpd s GLU 30 Cb -0.13 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3bpd s GLU 30 CO 0.54 0.12 0.00 0.09 -0.54 0.00 0.00 175.26 175.47 3bpd n ASN 31 N 3.34 -2.13 -4.47 -1.70 3.02 -1.26 -4.91 115.26 107.14 3bpd n ASN 31 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.15 3bpd n ASN 31 Cb 0.50 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 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 -2.00 5.12 -0.77 2.41 1.01 -1.23 -1.06 120.40 123.88 3bpd s VAL 32 Ca 0.00 -0.53 0.25 0.00 0.00 0.00 0.00 61.98 61.70 3bpd s VAL 32 Cb 0.00 -3.76 0.25 0.00 0.00 0.00 0.00 36.38 32.86 3bpd s VAL 32 CO 0.00 -0.17 1.76 0.47 0.00 0.00 0.00 175.10 177.16 3bpd n ASP 33 N 5.11 0.49 0.00 3.32 8.00 0.12 -4.89 116.55 128.70 3bpd n ASP 33 Ca -0.12 0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3bpd n ASP 33 Cb 0.48 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3bpd n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bpd n GLY 34 N 0.90 2.53 3.15 0.44 0.00 -1.12 -5.01 105.19 106.07 3bpd n GLY 34 Ca 0.05 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 3bpd n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpd s VAL 35 N -2.00 0.82 -0.07 1.61 1.01 -1.26 -2.15 120.40 118.35 3bpd s VAL 35 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 3bpd s VAL 35 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3bpd s VAL 35 CO 0.00 -0.57 0.07 0.21 0.00 0.00 0.00 175.10 174.81 3bpd s ASN 36 N -2.36 1.37 -0.24 3.32 3.84 -0.54 -4.99 114.94 115.33 3bpd s ASN 36 Ca 0.03 -0.05 -0.05 0.00 0.21 0.00 0.00 52.86 53.00 3bpd s ASN 36 Cb -0.03 -0.14 -0.01 0.00 -0.55 0.00 0.00 41.25 40.53 3bpd s ASN 36 CO -0.01 -0.27 0.01 -0.63 -2.79 0.00 0.00 177.10 173.41 3bpd s ILE 37 N 2.17 3.66 -0.17 -5.21 1.01 -1.26 -0.24 121.20 121.16 3bpd s ILE 37 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3bpd s ILE 37 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3bpd s ILE 37 CO -0.04 0.31 0.09 -2.28 0.00 0.00 0.00 174.94 173.01 3bpd s HIS 38 N 1.50 3.33 -0.27 3.97 5.65 0.60 -4.91 115.29 125.15 3bpd s HIS 38 Ca 0.05 0.21 -0.24 0.00 0.25 0.00 0.00 55.06 55.32 3bpd s HIS 38 Cb -0.15 -2.07 -0.00 0.00 -1.18 0.00 0.00 32.58 29.18 3bpd s HIS 38 CO -0.01 0.28 0.82 -1.17 -0.65 0.00 0.00 174.74 174.01 3bpd s LEU 39 N 0.13 4.07 -0.09 8.88 2.96 -1.26 -0.07 118.68 133.29 3bpd s LEU 39 Ca 0.06 0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 54.78 3bpd s LEU 39 Cb -0.12 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 3bpd s LEU 39 CO 0.00 -0.57 -0.10 0.28 -1.32 0.00 0.00 176.35 174.63 3bpd h SER 40 N 7.90 0.00 -5.06 3.68 0.02 -1.28 -3.48 113.55 115.34 3bpd h SER 40 Ca -0.24 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3bpd h SER 40 Cb 1.09 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 3bpd h SER 40 CO 0.88 0.49 -0.46 -0.70 -1.14 0.00 0.00 176.83 175.90 3bpd s GLU 41 N -1.78 0.61 0.00 3.45 2.12 -1.09 -4.98 118.70 117.03 3bpd s GLU 41 Ca -0.08 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.71 3bpd s GLU 41 Cb 0.01 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 3bpd s GLU 41 CO 0.12 -0.16 -0.23 0.42 -0.54 0.00 0.00 175.26 174.87 3bpd s ILE 42 N -2.29 2.34 0.24 -3.70 1.01 -1.26 0.89 121.20 118.43 3bpd s ILE 42 Ca -0.07 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.45 3bpd s ILE 42 Cb -0.03 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3bpd s ILE 42 CO -0.03 0.48 0.07 0.47 0.00 0.00 0.00 174.94 175.94 3bpd n ASP 43 N 2.09 1.32 0.24 3.58 9.92 0.15 -4.97 116.55 128.88 3bpd n ASP 43 Ca -0.16 -2.25 0.10 0.00 -0.53 0.00 0.00 54.79 51.94 3bpd n ASP 43 Cb 0.52 0.54 0.54 0.00 -0.64 0.00 0.00 41.12 42.08 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 0.00 0.00 -1.24 4.20 -2.04 -3.33 115.11 112.70 3bpd h GLN 44 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3bpd h GLN 44 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3bpd h GLN 44 CO 0.30 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.46 3bpd n ALA 45 N -1.70 0.14 -2.61 3.87 0.00 -1.26 -5.12 120.51 113.83 3bpd n ALA 45 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3bpd n ALA 45 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.68 1.23 0.10 0.00 -4.23 -1.25 -2.92 115.64 107.90 3bpd s THR 46 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3bpd s THR 46 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3bpd s THR 46 CO 0.00 0.00 0.02 -1.83 -0.54 0.00 0.00 174.62 172.27 3bpd s GLU 47 N -3.80 0.81 -0.12 3.99 -1.05 -0.40 0.31 118.70 118.44 3bpd s GLU 47 Ca 0.23 -1.36 0.01 0.00 -0.15 0.00 0.00 54.97 53.70 3bpd s GLU 47 Cb 0.05 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 3bpd s GLU 47 CO 0.12 -0.19 -0.14 -0.80 0.95 0.00 0.00 175.26 175.20 3bpd s ASN 48 N -3.01 3.91 0.20 0.83 0.01 0.26 -2.13 114.94 115.02 3bpd s ASN 48 Ca 0.17 -0.34 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 3bpd s ASN 48 Cb 0.08 -1.51 -0.05 0.00 0.41 0.00 0.00 41.25 40.17 3bpd s ASN 48 CO -0.03 0.18 -0.02 0.27 -1.51 0.00 0.00 177.10 175.99 3bpd s ILE 49 N 0.24 0.99 -0.27 0.60 -4.36 -0.31 -0.75 121.20 117.34 3bpd s ILE 49 Ca -0.10 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 3bpd s ILE 49 Cb -0.16 -2.21 0.07 0.00 1.25 0.00 0.00 42.46 41.42 3bpd s ILE 49 CO 0.06 -0.43 -0.01 -0.54 0.24 0.00 0.00 174.94 174.25 3bpd s LYS 50 N -3.85 1.49 -0.24 0.37 -0.14 0.89 -2.02 119.74 116.24 3bpd s LYS 50 Ca 0.25 -1.19 -0.15 0.00 -1.36 0.00 0.00 55.97 53.52 3bpd s LYS 50 Cb 0.05 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3bpd s LYS 50 CO 0.06 -0.72 0.38 0.42 -0.76 0.00 0.00 175.35 174.74 3bpd s ILE 51 N 1.32 5.18 -0.26 2.17 1.01 -0.91 -0.29 121.20 129.42 3bpd s ILE 51 Ca -0.01 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 3bpd s ILE 51 Cb -0.19 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.60 3bpd s ILE 51 CO -0.09 0.19 -0.04 -0.89 0.00 0.00 0.00 174.94 174.11 3bpd s THR 52 N 1.77 2.99 -0.13 2.92 2.01 0.67 -0.90 115.64 124.97 3bpd s THR 52 Ca 0.17 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3bpd s THR 52 Cb -0.15 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3bpd s THR 52 CO 0.09 0.16 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.50 3bpd s ILE 53 N 1.34 3.83 -0.11 1.82 1.01 -0.32 -1.47 121.20 127.29 3bpd s ILE 53 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3bpd s ILE 53 Cb -0.17 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.66 3bpd s ILE 53 CO -0.03 0.52 -0.19 -0.22 0.00 0.00 0.00 174.94 175.02 3bpd s LEU 54 N 0.06 1.91 0.00 2.97 2.96 -0.92 -1.79 118.68 123.87 3bpd s LEU 54 Ca -0.01 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3bpd s LEU 54 Cb -0.14 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.31 3bpd s LEU 54 CO 0.03 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 3bpd n GLY 55 N 4.01 1.38 3.17 7.98 0.00 -0.42 0.12 105.19 121.43 3bpd n GLY 55 Ca -0.20 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 2.00 2.18 -1.48 1.61 3.04 -0.22 -4.42 114.94 117.65 3bpd s ASN 56 Ca 0.00 -0.34 -0.04 0.00 0.04 0.00 0.00 52.86 52.51 3bpd s ASN 56 Cb 0.00 -0.35 0.01 0.00 -1.54 0.00 0.00 41.25 39.36 3bpd s ASN 56 CO 0.00 0.21 0.17 -3.20 -3.04 0.00 0.00 177.10 171.23 3bpd n ASN 57 N 2.78 0.05 -4.62 -4.21 5.15 -0.57 -4.79 115.26 109.05 3bpd n ASN 57 Ca -0.16 -1.23 -0.36 0.00 -0.60 0.00 0.00 54.58 52.23 3bpd n ASN 57 Cb 0.53 -1.89 0.07 0.00 -0.53 0.00 0.00 39.78 37.97 3bpd n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3bpd n LEU 58 N -4.60 3.66 -4.17 1.20 4.77 -0.25 -4.84 117.00 112.77 3bpd n LEU 58 Ca -0.30 0.72 -0.37 0.00 -0.03 0.00 0.00 56.01 56.03 3bpd n LEU 58 Cb 0.68 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.25 3bpd n LEU 58 CO 0.82 -1.96 -0.19 -0.62 -1.33 0.00 0.00 177.39 174.11 3bpd s ASP 59 N -1.49 5.28 0.02 -1.43 3.68 -1.26 -4.53 116.67 116.94 3bpd s ASP 59 Ca 0.75 -1.71 -0.07 0.00 2.13 0.00 0.00 52.55 53.65 3bpd s ASP 59 Cb -0.37 -1.85 -0.03 0.00 -1.45 0.00 0.00 42.92 39.22 3bpd s ASP 59 CO 0.48 -0.48 1.11 0.22 0.13 0.00 0.00 175.17 176.64 3bpd h TYR 60 N 8.14 -0.30 -0.79 -5.34 3.20 -1.99 -0.80 116.97 119.09 3bpd h TYR 60 Ca -0.18 0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.93 3bpd h TYR 60 Cb 1.06 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 3bpd h TYR 60 CO 0.58 -0.14 0.80 0.93 -1.64 0.00 0.00 178.16 178.70 3bpd h GLU 61 N -0.20 0.00 0.27 1.82 5.08 -1.98 0.30 114.58 119.87 3bpd h GLU 61 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3bpd h GLU 61 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3bpd h GLU 61 CO -0.02 0.00 -0.13 0.37 -1.00 0.00 0.00 179.01 178.23 3bpd h GLN 62 N 0.00 -0.35 -0.46 2.33 4.15 -1.82 -0.69 115.11 118.27 3bpd h GLN 62 Ca 0.37 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.90 3bpd h GLN 62 Cb 1.97 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 29.66 3bpd h GLN 62 CO -0.00 -0.09 0.02 0.82 -1.93 0.00 0.00 178.83 177.64 3bpd h ILE 63 N -1.03 0.66 -0.82 2.39 2.04 0.64 0.17 117.51 121.56 3bpd h ILE 63 Ca -0.04 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.86 3bpd h ILE 63 Cb 0.42 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3bpd h ILE 63 CO 0.06 0.02 0.47 0.50 0.00 0.00 0.00 178.15 179.21 3bpd h LYS 64 N 0.13 0.78 0.03 2.37 3.64 -0.62 -1.99 116.57 120.92 3bpd h LYS 64 Ca 0.23 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3bpd h LYS 64 Cb 0.34 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3bpd h LYS 64 CO -0.37 0.52 -0.10 0.78 -2.27 0.00 0.00 179.45 178.01 3bpd h GLY 65 N 0.81 -0.14 0.47 5.01 0.00 0.86 0.27 103.07 110.34 3bpd h GLY 65 Ca 0.39 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.92 3bpd h GLY 65 CO -0.23 -0.10 0.37 -2.08 0.00 0.00 0.00 176.54 174.50 3bpd h VAL 66 N -0.18 0.85 -0.35 4.60 2.07 -0.49 0.67 116.25 123.41 3bpd h VAL 66 Ca 0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3bpd h VAL 66 Cb 0.21 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3bpd h VAL 66 CO -0.08 0.11 0.11 0.40 0.02 0.00 0.00 177.57 178.14 3bpd h ILE 67 N 0.63 1.21 0.00 4.57 2.04 -0.81 -3.05 117.51 122.09 3bpd h ILE 67 Ca 0.36 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 3bpd h ILE 67 Cb 0.38 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3bpd h ILE 67 CO -0.27 0.23 -0.52 -0.33 0.00 0.00 0.00 178.15 177.27 3bpd h GLU 68 N 0.42 0.00 -2.03 2.37 5.08 -0.46 0.18 114.58 120.15 3bpd h GLU 68 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3bpd h GLU 68 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3bpd h GLU 68 CO -0.00 0.52 0.01 -0.25 -1.00 0.00 0.00 179.01 178.28 3bpd n ASP 69 N -3.83 2.19 -0.26 1.42 8.00 0.18 -4.24 116.55 120.02 3bpd n ASP 69 Ca -0.01 -1.59 0.05 0.00 0.71 0.00 0.00 54.79 53.94 3bpd n ASP 69 Cb 0.54 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.84 -0.19 3.77 0.44 0.00 -1.22 -5.09 105.19 104.75 3bpd n GLY 71 Ca 0.01 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.29 2.83 -0.03 -0.02 0.00 0.65 -4.46 107.32 105.00 3bpd s GLY 72 Ca 0.09 0.87 0.03 0.00 0.00 0.00 0.00 44.72 45.71 3bpd s GLY 72 CO 0.23 1.36 -0.10 0.14 0.00 0.00 0.00 173.10 174.74 3bpd s VAL 73 N -1.49 0.85 -0.42 1.40 1.01 -0.25 -3.37 120.40 118.13 3bpd s VAL 73 Ca 0.57 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 3bpd s VAL 73 Cb -0.28 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3bpd s VAL 73 CO 0.35 0.27 0.72 -0.63 0.00 0.00 0.00 175.10 175.80 3bpd s ILE 74 N 0.21 4.75 0.02 2.22 1.01 -1.26 -1.32 121.20 126.83 3bpd s ILE 74 Ca -0.04 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 3bpd s ILE 74 Cb -0.09 -4.23 -0.31 0.00 0.01 0.00 0.00 42.46 37.83 3bpd s ILE 74 CO 0.01 -0.58 0.92 0.45 0.00 0.00 0.00 174.94 175.74 3bpd h HIS 75 N 8.80 0.71 -2.10 3.97 3.86 -0.45 -3.49 115.15 126.46 3bpd h HIS 75 Ca -0.25 -0.52 0.04 0.00 -1.16 0.00 0.00 60.37 58.48 3bpd h HIS 75 Cb 1.09 -0.03 -0.18 0.00 1.06 0.00 0.00 27.41 29.35 3bpd h HIS 75 CO 0.77 1.49 0.39 -1.54 0.86 0.00 0.00 177.93 179.90 3bpd s SER 76 N -7.30 -0.47 -0.63 2.45 1.04 -1.11 -4.99 113.70 102.69 3bpd s SER 76 Ca -0.09 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.53 3bpd s SER 76 Cb 0.06 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.77 3bpd s SER 76 CO 0.89 -0.58 0.53 -0.69 0.98 0.00 0.00 173.24 174.37 3bpd s VAL 77 N -2.11 4.81 0.20 5.02 1.01 -1.26 0.03 120.40 128.09 3bpd s VAL 77 Ca -0.02 -2.15 -0.05 0.00 0.00 0.00 0.00 61.98 59.77 3bpd s VAL 77 Cb -0.01 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3bpd s VAL 77 CO -0.02 -0.90 1.57 0.44 0.00 0.00 0.00 175.10 176.19 3bpd h ASP 78 N 8.09 0.76 -3.91 3.32 3.32 -1.18 -3.46 116.42 123.37 3bpd h ASP 78 Ca -0.09 -0.33 -0.19 0.00 0.02 0.00 0.00 57.03 56.44 3bpd h ASP 78 Cb 1.05 -0.21 -0.26 0.00 0.22 0.00 0.00 39.33 40.12 3bpd h ASP 78 CO 0.84 1.05 -0.57 -0.70 -1.72 0.00 0.00 179.24 178.13 3bpd s GLU 79 N -4.37 0.17 -0.04 3.56 2.12 -1.07 -4.96 118.70 114.11 3bpd s GLU 79 Ca -0.09 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 3bpd s GLU 79 Cb 0.12 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.62 3bpd s GLU 79 CO 0.84 -0.03 0.02 0.08 -0.54 0.00 0.00 175.26 175.64 3bpd s VAL 80 N -0.10 0.11 -0.01 3.70 1.01 -1.26 -1.42 120.40 122.43 3bpd s VAL 80 Ca -0.02 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3bpd s VAL 80 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3bpd s VAL 80 CO 0.00 0.17 -0.25 -0.69 0.00 0.00 0.00 175.10 174.33 3bpd s VAL 81 N 1.51 2.13 0.02 2.92 1.01 -0.37 -5.00 120.40 122.62 3bpd s VAL 81 Ca -0.03 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 3bpd s VAL 81 Cb -0.13 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3bpd s VAL 81 CO -0.03 0.54 0.40 0.00 0.00 0.00 0.00 175.10 176.01 3bpd s ALA 82 N -0.65 -0.99 0.00 5.51 0.00 -1.26 -0.41 121.76 123.95 3bpd s ALA 82 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3bpd s ALA 82 Cb -0.10 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3bpd s ALA 82 CO -0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3bpd n GLY 83 N 0.79 0.39 0.07 0.00 0.00 -0.57 -4.78 105.19 101.09 3bpd n GLY 83 Ca -0.19 -2.30 -0.08 0.00 0.00 0.00 0.00 46.02 43.45 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 3.69 0.00 -6.76 1.61 1.57 -1.90 -3.37 116.57 111.42 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 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 3bpd h LYS 84 CO 0.00 0.83 -0.81 0.42 -0.57 0.00 0.00 179.45 179.31 3bpd s ILE 85 N -2.67 2.74 -0.70 1.86 -1.09 -1.26 -4.94 121.20 115.14 3bpd s ILE 85 Ca -0.01 -1.55 -0.26 0.00 -2.23 0.00 0.00 60.65 56.60 3bpd s ILE 85 Cb 0.09 -2.25 0.04 0.00 -1.58 0.00 0.00 42.46 38.76 3bpd s ILE 85 CO 0.82 0.10 1.18 -0.63 -1.23 0.00 0.00 174.94 175.18 3bpd s ILE 86 N -1.13 3.92 -0.19 2.92 -1.09 -1.26 -4.77 121.20 119.60 3bpd s ILE 86 Ca 0.17 0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.67 3bpd s ILE 86 Cb -0.10 -4.83 -0.03 0.00 -1.58 0.00 0.00 42.46 35.92 3bpd s ILE 86 CO 0.09 -1.68 0.53 -0.69 -1.23 0.00 0.00 174.94 171.96 3bpd s VAL 87 N 5.18 5.10 0.28 2.92 1.01 -1.26 -5.06 120.40 128.58 3bpd s VAL 87 Ca 0.32 0.98 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 3bpd s VAL 87 Cb -0.10 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 3bpd s VAL 87 CO 0.15 0.18 0.60 -1.61 0.00 0.00 0.00 175.10 174.42 3bpd s GLU 88 N 1.59 3.77 0.28 2.72 0.41 -1.26 -4.91 118.70 121.30 3bpd s GLU 88 Ca 0.25 0.27 -0.29 0.00 -0.41 0.00 0.00 54.97 54.78 3bpd s GLU 88 Cb -0.15 -2.59 -0.10 0.00 -1.78 0.00 0.00 34.13 29.51 3bpd s GLU 88 CO 0.10 0.22 1.18 0.45 -0.49 0.00 0.00 175.26 176.72 3bpd s SER 89 N -2.70 7.08 0.00 -0.19 0.15 -1.26 -5.23 113.70 111.55 3bpd s SER 89 Ca 0.48 2.39 0.29 0.00 0.70 0.00 0.00 55.95 59.81 3bpd s SER 89 Cb -0.11 -2.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.81 3bpd s SER 89 CO 0.25 -0.30 1.85 0.52 1.20 0.00 0.00 173.24 176.75