#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt s ALA 2 N 0.00 0.86 0.13 3.04 0.00 -1.26 -5.14 121.76 119.39 2awt s ALA 2 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 2awt s ALA 2 Cb 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 2awt s ALA 2 CO 0.00 -0.34 0.66 -0.51 0.00 0.00 0.00 175.76 175.57 2awt s ASP 3 N 1.66 7.17 0.04 0.00 1.11 -1.26 -5.08 116.67 120.31 2awt s ASP 3 Ca 0.01 1.41 -0.03 0.00 0.18 0.00 0.00 52.55 54.12 2awt s ASP 3 Cb -0.13 -2.41 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2awt s ASP 3 CO -0.05 0.21 0.03 -1.83 1.18 0.00 0.00 175.17 174.72 2awt s GLU 4 N -1.28 0.53 -0.48 8.23 1.03 -1.26 -5.10 118.70 120.37 2awt s GLU 4 Ca 0.34 -0.85 0.08 0.00 0.03 0.00 0.00 54.97 54.56 2awt s GLU 4 Cb -0.20 0.20 0.27 0.00 -0.80 0.00 0.00 34.13 33.59 2awt s GLU 4 CO 0.22 -0.12 0.64 1.63 -1.33 0.00 0.00 175.26 176.31 2awt n LYS 5 N 0.77 1.49 -2.11 -4.83 5.02 -1.26 -5.09 118.16 112.16 2awt n LYS 5 Ca -0.19 -3.81 -0.43 0.00 -2.02 0.00 0.00 58.31 51.86 2awt n LYS 5 Cb 0.58 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2awt s PRO 6 N -1.88 3.69 -0.18 1.97 0.04 -1.26 -4.89 135.00 132.50 2awt s PRO 6 Ca 0.38 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 2awt s PRO 6 Cb 0.19 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 2awt s PRO 6 CO -0.08 -1.42 -0.24 1.63 0.04 0.00 0.00 177.00 176.93 2awt n LYS 7 N 7.84 0.51 -3.59 4.56 4.76 -1.26 -5.08 118.16 125.90 2awt n LYS 7 Ca 0.19 0.36 -0.07 0.00 -2.87 0.00 0.00 58.31 55.92 2awt n LYS 7 Cb 0.46 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 2awt n LYS 7 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2awt s GLU 8 N -2.58 0.43 0.00 1.97 2.12 -1.26 -5.17 118.70 114.21 2awt s GLU 8 Ca -0.25 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2awt s GLU 8 Cb 0.05 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.64 2awt s GLU 8 CO 0.38 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 2awt n GLY 9 N 0.42 1.66 3.83 -1.50 0.00 -1.26 -5.03 105.19 103.32 2awt n GLY 9 Ca -0.06 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2awt n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2awt s VAL 10 N -2.37 4.56 -0.06 1.61 -7.23 -1.26 -5.08 120.40 110.58 2awt s VAL 10 Ca 0.00 1.19 0.06 0.00 -1.81 0.00 0.00 61.98 61.42 2awt s VAL 10 Cb 0.00 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 2awt s VAL 10 CO 0.00 -0.14 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.86 2awt s LYS 11 N -2.83 2.56 0.41 4.82 3.01 -1.26 -5.14 119.74 121.32 2awt s LYS 11 Ca 0.54 -0.89 0.04 0.00 -1.01 0.00 0.00 55.97 54.65 2awt s LYS 11 Cb -0.11 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 2awt s LYS 11 CO 0.17 0.39 0.59 0.95 0.51 0.00 0.00 175.35 177.96 2awt s THR 12 N -0.18 3.67 -0.43 2.17 -4.23 -1.26 -5.08 115.64 110.31 2awt s THR 12 Ca -0.03 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2awt s THR 12 Cb -0.14 -3.30 0.20 0.00 1.34 0.00 0.00 72.50 70.60 2awt s THR 12 CO 0.04 -0.16 0.48 -0.62 -0.54 0.00 0.00 174.62 173.82 2awt n GLU 13 N -1.90 0.41 0.07 3.99 1.02 -1.26 -4.87 120.64 118.10 2awt n GLU 13 Ca 0.03 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.24 2awt n GLU 13 Cb 0.58 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2awt n GLU 13 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2awt n ASN 14 N 2.39 0.20 -0.01 1.62 2.85 -1.26 -5.04 115.26 116.01 2awt n ASN 14 Ca 0.24 0.22 -0.01 0.00 -0.11 0.00 0.00 54.58 54.92 2awt n ASN 14 Cb 0.51 0.08 -0.00 0.00 1.24 0.00 0.00 39.78 41.61 2awt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2awt n ASN 15 N -3.11 0.32 -3.69 1.20 3.02 -1.26 -5.13 115.26 106.61 2awt n ASN 15 Ca 0.00 0.05 -0.06 0.00 -0.03 0.00 0.00 54.58 54.54 2awt n ASN 15 Cb 0.00 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2awt s ASP 16 N -4.59 -0.26 -0.30 6.41 1.01 -1.26 -4.95 116.67 112.73 2awt s ASP 16 Ca -0.04 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 2awt s ASP 16 Cb 0.01 0.52 0.15 0.00 1.01 0.00 0.00 42.92 44.60 2awt s ASP 16 CO 0.06 -0.93 0.68 -2.28 0.21 0.00 0.00 175.17 172.91 2awt s HIS 17 N -3.40 -1.33 0.46 4.23 5.65 -1.26 -3.73 115.29 115.92 2awt s HIS 17 Ca 0.10 2.06 0.01 0.00 0.25 0.00 0.00 55.06 57.48 2awt s HIS 17 Cb -0.02 0.71 -0.01 0.00 -1.18 0.00 0.00 32.58 32.08 2awt s HIS 17 CO -0.01 -0.68 0.05 0.44 -0.65 0.00 0.00 174.74 173.90 2awt n ILE 18 N 5.40 0.00 -4.77 0.89 -5.35 0.79 -4.95 119.36 111.38 2awt n ILE 18 Ca -0.09 -2.32 -0.26 0.00 -0.27 0.00 0.00 62.75 59.81 2awt n ILE 18 Cb 0.50 0.59 -0.16 0.00 -1.74 0.00 0.00 39.64 38.82 2awt n ILE 18 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2awt s ASN 19 N -3.61 2.11 0.03 7.28 2.47 -1.26 -3.21 114.94 118.76 2awt s ASN 19 Ca 0.07 -0.36 0.01 0.00 0.42 0.00 0.00 52.86 53.00 2awt s ASN 19 Cb 0.00 -0.88 -0.02 0.00 -1.45 0.00 0.00 41.25 38.90 2awt s ASN 19 CO 0.05 0.09 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.71 2awt s LEU 20 N 0.44 2.28 -0.18 3.21 1.02 -0.74 -2.88 118.68 121.83 2awt s LEU 20 Ca -0.13 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.39 2awt s LEU 20 Cb -0.15 0.01 0.07 0.00 0.02 0.00 0.00 46.19 46.13 2awt s LEU 20 CO 0.04 -0.30 0.11 -0.54 0.02 0.00 0.00 176.35 175.68 2awt s LYS 21 N -1.84 0.09 -0.35 1.70 1.02 -0.95 -0.48 119.74 118.92 2awt s LYS 21 Ca -0.10 -0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.61 2awt s LYS 21 Cb -0.08 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 2awt s LYS 21 CO -0.01 -0.70 0.61 0.14 -0.92 0.00 0.00 175.35 174.47 2awt s VAL 22 N 2.16 4.92 -0.05 3.17 -7.23 0.11 0.04 120.40 123.52 2awt s VAL 22 Ca 0.03 0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2awt s VAL 22 Cb -0.16 -4.05 0.01 0.00 0.56 0.00 0.00 36.38 32.74 2awt s VAL 22 CO -0.12 -0.29 -0.14 0.00 -0.31 0.00 0.00 175.10 174.25 2awt s ALA 23 N 2.64 1.30 0.26 1.32 0.00 -0.27 -0.19 121.76 126.81 2awt s ALA 23 Ca 0.23 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 2awt s ALA 23 Cb -0.15 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 2awt s ALA 23 CO 0.14 0.18 0.91 0.20 0.00 0.00 0.00 175.76 177.19 2awt s GLY 24 N 0.36 2.97 0.64 0.00 0.00 -0.45 -2.99 107.32 107.85 2awt s GLY 24 Ca -0.09 0.53 0.40 0.00 0.00 0.00 0.00 44.72 45.57 2awt s GLY 24 CO 0.03 1.04 2.24 1.46 0.00 0.00 0.00 173.10 177.87 2awt h GLN 25 N 3.82 0.00 0.00 2.90 4.20 -1.82 -3.12 115.11 121.10 2awt h GLN 25 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2awt h GLN 25 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2awt h GLN 25 CO 0.67 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.58 2awt n ASP 26 N -2.98 0.00 -2.69 1.46 8.00 -1.26 -4.93 116.55 114.15 2awt n ASP 26 Ca -0.03 0.32 -0.06 0.00 0.71 0.00 0.00 54.79 55.73 2awt n ASP 26 Cb 0.12 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 40.99 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2awt n GLY 27 N 2.11 0.46 3.28 0.44 0.00 -1.20 -4.97 105.19 105.31 2awt n GLY 27 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2awt n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2awt s SER 28 N -0.83 2.22 -0.30 1.61 0.01 -1.18 -4.87 113.70 110.35 2awt s SER 28 Ca 0.16 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 2awt s SER 28 Cb 0.28 -0.09 0.18 0.00 0.21 0.00 0.00 66.02 66.60 2awt s SER 28 CO -0.07 -0.17 1.11 0.54 0.41 0.00 0.00 173.24 175.07 2awt s VAL 29 N -2.55 -0.30 -0.05 3.43 0.11 -1.25 -1.34 120.40 118.45 2awt s VAL 29 Ca 0.15 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 2awt s VAL 29 Cb -0.03 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2awt s VAL 29 CO 0.04 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.24 2awt s VAL 30 N 2.42 -0.02 0.03 2.04 1.01 0.73 -4.95 120.40 121.66 2awt s VAL 30 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2awt s VAL 30 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2awt s VAL 30 CO -0.16 0.04 0.14 -1.10 0.00 0.00 0.00 175.10 174.02 2awt s GLN 31 N 0.58 3.21 0.12 2.72 -0.21 -1.26 0.09 119.66 124.90 2awt s GLN 31 Ca -0.04 -0.49 -0.12 0.00 0.02 0.00 0.00 55.36 54.73 2awt s GLN 31 Cb -0.06 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 31.03 2awt s GLN 31 CO -0.03 0.62 0.31 -0.06 -2.12 0.00 0.00 175.29 174.02 2awt s PHE 32 N -1.36 0.00 -0.03 0.91 0.08 0.37 -4.98 117.98 112.96 2awt s PHE 32 Ca 0.29 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.98 2awt s PHE 32 Cb -0.12 0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.44 2awt s PHE 32 CO 0.21 -0.65 -0.06 -1.59 -0.10 0.00 0.00 175.22 173.03 2awt s LYS 33 N -3.85 0.81 0.26 0.44 -2.85 -1.26 -1.79 119.74 111.50 2awt s LYS 33 Ca 0.05 -0.18 -0.21 0.00 -1.00 0.00 0.00 55.97 54.62 2awt s LYS 33 Cb 0.03 -0.78 0.03 0.00 -2.06 0.00 0.00 37.83 35.05 2awt s LYS 33 CO -0.10 0.02 0.70 -1.50 0.10 0.00 0.00 175.35 174.57 2awt s ILE 34 N 0.50 0.00 0.10 3.79 2.07 -1.20 -4.98 121.20 121.48 2awt s ILE 34 Ca -0.07 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.35 2awt s ILE 34 Cb -0.11 -1.81 0.03 0.00 0.13 0.00 0.00 42.46 40.70 2awt s ILE 34 CO 0.00 0.00 0.06 2.29 -1.91 0.00 0.00 174.94 175.39 2awt n LYS 35 N -0.44 -2.00 -0.05 3.50 2.85 -1.24 -0.15 118.16 120.63 2awt n LYS 35 Ca -0.06 -0.10 -0.09 0.00 -1.05 0.00 0.00 58.31 57.00 2awt n LYS 35 Cb 0.60 -0.13 -0.15 0.00 -0.65 0.00 0.00 35.03 34.71 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2awt n ARG 36 N -2.16 0.65 -3.00 -1.58 0.63 -1.26 -4.43 116.66 105.51 2awt n ARG 36 Ca 0.01 0.20 -0.33 0.00 -0.92 0.00 0.00 57.85 56.81 2awt n ARG 36 Cb 0.04 -1.70 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 2awt n ARG 36 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2awt n HIS 37 N -2.96 3.38 -4.50 -0.14 -0.00 -1.26 -3.61 115.22 106.12 2awt n HIS 37 Ca -0.23 -3.48 -0.30 0.00 0.46 0.00 0.00 57.72 54.18 2awt n HIS 37 Cb 1.09 -0.79 -0.12 0.00 -0.12 0.00 0.00 29.99 30.04 2awt n HIS 37 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2awt s THR 38 N -3.70 2.69 -0.70 3.57 -1.32 -1.26 -5.07 115.64 109.86 2awt s THR 38 Ca 0.42 -1.40 -0.26 0.00 -1.21 0.00 0.00 61.69 59.23 2awt s THR 38 Cb 0.19 -2.18 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 2awt s THR 38 CO -0.07 0.21 1.89 -2.16 -2.21 0.00 0.00 174.62 172.28 2awt s PRO 39 N -1.79 2.60 0.61 7.08 0.04 -1.26 -4.82 135.00 137.47 2awt s PRO 39 Ca 0.16 0.34 0.28 0.00 0.04 0.00 0.00 61.00 61.82 2awt s PRO 39 Cb -0.10 -4.59 1.43 0.00 0.04 0.00 0.00 34.50 31.28 2awt s PRO 39 CO 0.07 -2.93 1.84 -0.07 0.04 0.00 0.00 177.00 175.95 2awt h LEU 40 N 16.86 0.00 -0.85 -3.56 3.38 -1.93 -0.84 115.31 128.37 2awt h LEU 40 Ca -0.15 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.00 2awt h LEU 40 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2awt h LEU 40 CO 1.22 0.00 0.36 0.77 0.09 0.00 0.00 178.44 180.88 2awt h SER 41 N 0.00 0.33 -0.97 -0.43 4.64 -1.90 0.30 113.55 115.53 2awt h SER 41 Ca 0.18 0.13 0.26 0.00 -0.47 0.00 0.00 61.79 61.89 2awt h SER 41 Cb 1.20 0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 2awt h SER 41 CO -0.00 0.06 0.66 0.07 -0.87 0.00 0.00 176.83 176.76 2awt h LYS 42 N 0.45 0.20 -0.03 4.77 2.10 -1.55 -0.09 116.57 122.41 2awt h LYS 42 Ca 0.50 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 59.05 2awt h LYS 42 Cb 0.86 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.15 2awt h LYS 42 CO -0.47 0.13 -0.33 1.25 -2.00 0.00 0.00 179.45 178.03 2awt h LEU 43 N 0.20 0.35 0.09 7.07 7.12 -0.58 -2.82 115.31 126.75 2awt h LEU 43 Ca 0.50 -0.71 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2awt h LEU 43 Cb 1.59 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.59 2awt h LEU 43 CO -0.12 1.01 -0.26 -0.03 -0.13 0.00 0.00 178.44 178.90 2awt h MET 44 N -0.28 -0.39 -0.84 1.25 4.05 -0.79 0.28 114.93 118.22 2awt h MET 44 Ca -0.03 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.58 2awt h MET 44 Cb 1.03 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 31.81 2awt h MET 44 CO 0.07 -0.26 0.38 -0.22 0.23 0.00 0.00 176.91 177.11 2awt h LYS 45 N -0.40 0.48 -0.52 0.39 1.63 -1.56 -0.35 116.57 116.24 2awt h LYS 45 Ca -0.01 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2awt h LYS 45 Cb 0.39 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 2awt h LYS 45 CO -0.13 0.32 0.34 0.00 -3.45 0.00 0.00 179.45 176.54 2awt h ALA 46 N 1.60 0.66 -0.05 5.00 0.00 -1.14 -2.74 119.26 122.59 2awt h ALA 46 Ca 0.48 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2awt h ALA 46 Cb 0.78 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2awt h ALA 46 CO -0.43 0.10 -0.45 -0.92 0.00 0.00 0.00 179.25 177.55 2awt h TYR 47 N 0.70 -1.31 -0.72 0.00 5.03 0.13 -1.55 116.97 119.26 2awt h TYR 47 Ca 0.19 0.05 0.15 0.00 2.58 0.00 0.00 58.73 61.69 2awt h TYR 47 Cb -0.08 0.58 -0.10 0.00 1.55 0.00 0.00 36.73 38.68 2awt h TYR 47 CO -0.04 -0.51 0.22 0.00 -1.32 0.00 0.00 178.16 176.51 2awt h GLU 49 N 0.33 0.44 0.00 0.00 4.81 -0.98 0.24 114.58 119.42 2awt h GLU 49 Ca 0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2awt h GLU 49 Cb 0.65 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2awt h GLU 49 CO -0.45 0.29 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.00 2awt h ARG 50 N 0.46 0.00 -2.30 1.92 9.65 -0.37 -3.43 114.38 120.31 2awt h ARG 50 Ca 0.55 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.83 2awt h ARG 50 Cb 1.29 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.46 2awt h ARG 50 CO -0.26 0.00 -0.73 0.00 2.80 0.00 0.00 179.97 181.78 2awt n GLN 51 N -2.56 1.86 -1.82 0.20 10.64 -0.31 -5.00 117.38 120.38 2awt n GLN 51 Ca -0.00 -4.22 -0.42 0.00 -1.83 0.00 0.00 57.00 50.52 2awt n GLN 51 Cb 0.01 -1.99 -0.00 0.00 -0.86 0.00 0.00 30.24 27.41 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2awt n GLY 52 N 1.27 4.48 0.09 2.61 0.00 0.85 -4.54 105.19 109.96 2awt n GLY 52 Ca 0.26 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 2awt n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2awt h LEU 53 N 9.47 0.00 -7.41 0.99 3.38 -1.94 -3.47 115.31 116.33 2awt h LEU 53 Ca 0.55 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.34 2awt h LEU 53 Cb 0.62 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.09 2awt h LEU 53 CO 1.84 0.68 -0.46 -0.44 0.09 0.00 0.00 178.44 180.15 2awt s SER 54 N -5.88 -0.26 0.00 -0.43 0.01 -1.26 -4.98 113.70 100.89 2awt s SER 54 Ca -0.03 0.51 0.13 0.00 1.31 0.00 0.00 55.95 57.87 2awt s SER 54 Cb 0.08 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.80 2awt s SER 54 CO 0.81 -0.13 0.79 1.15 0.41 0.00 0.00 173.24 176.27 2awt n MET 55 N 3.63 1.52 -0.00 12.44 0.00 -1.26 -3.98 117.12 129.47 2awt n MET 55 Ca -0.19 -0.90 0.02 0.00 0.00 0.00 0.00 57.70 56.63 2awt n MET 55 Cb 0.55 -1.19 -0.03 0.00 0.00 0.00 0.00 33.22 32.55 2awt n MET 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2awt n ARG 56 N 0.13 0.46 -0.04 3.17 0.63 -1.26 -4.72 116.66 115.04 2awt n ARG 56 Ca 0.06 -0.04 -0.22 0.00 -0.92 0.00 0.00 57.85 56.74 2awt n ARG 56 Cb 0.28 -1.11 -0.13 0.00 0.45 0.00 0.00 32.46 31.96 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2awt n GLN 57 N -1.71 0.69 -1.62 -0.14 3.00 -1.26 -4.86 117.38 111.49 2awt n GLN 57 Ca -0.01 0.32 -0.43 0.00 -0.01 0.00 0.00 57.00 56.87 2awt n GLN 57 Cb 0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 30.24 28.70 2awt n GLN 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2awt n ILE 58 N -3.72 0.46 -3.64 5.09 2.08 -1.20 -4.34 119.36 114.08 2awt n ILE 58 Ca -0.35 -0.38 -0.08 0.00 0.56 0.00 0.00 62.75 62.50 2awt n ILE 58 Cb 0.95 -2.51 -0.07 0.00 -0.75 0.00 0.00 39.64 37.25 2awt n ILE 58 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2awt s ARG 59 N 5.88 0.72 -0.11 0.38 0.52 -1.26 -4.94 118.95 120.13 2awt s ARG 59 Ca 0.98 1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 57.10 2awt s ARG 59 Cb -0.36 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.24 2awt s ARG 59 CO 0.37 -0.15 1.38 -0.06 0.02 0.00 0.00 175.30 176.87 2awt s PHE 60 N 1.54 2.62 -0.01 -0.53 0.08 -1.26 -4.11 117.98 116.32 2awt s PHE 60 Ca -0.09 0.77 -0.06 0.00 0.12 0.00 0.00 56.93 57.67 2awt s PHE 60 Cb -0.05 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 2awt s PHE 60 CO -0.18 -2.36 0.11 0.50 -0.10 0.00 0.00 175.22 173.19 2awt s ARG 61 N 3.45 0.39 0.51 0.44 3.00 0.10 -2.31 118.95 124.53 2awt s ARG 61 Ca 0.61 -0.31 0.04 0.00 -1.00 0.00 0.00 55.73 55.07 2awt s ARG 61 Cb -0.26 0.16 0.00 0.00 0.00 0.00 0.00 34.95 34.85 2awt s ARG 61 CO 0.20 -0.09 0.22 -0.59 0.00 0.00 0.00 175.30 175.05 2awt s PHE 62 N -1.10 1.91 -1.10 5.12 -0.71 -1.21 -0.31 117.98 120.58 2awt s PHE 62 Ca -0.12 -0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 54.82 2awt s PHE 62 Cb -0.07 -1.82 -0.07 0.00 -1.21 0.00 0.00 43.02 39.85 2awt s PHE 62 CO 0.01 -0.09 2.25 -3.47 -1.34 0.00 0.00 175.22 172.57 2awt n ASP 63 N -1.48 4.91 0.00 1.98 2.03 -1.26 -3.07 116.55 119.65 2awt n ASP 63 Ca -0.08 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2awt n ASP 63 Cb 0.65 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 64 N 3.97 0.10 0.00 0.27 0.00 -1.26 -5.16 105.19 103.11 2awt n GLY 64 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2awt n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLN 65 N -0.88 0.00 -2.26 1.61 10.64 -1.18 -5.16 117.38 120.17 2awt n GLN 65 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 2awt n GLN 65 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2awt n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2awt s PRO 66 N -2.00 4.32 0.36 2.61 0.04 -1.26 -3.29 135.00 135.78 2awt s PRO 66 Ca 0.00 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 2awt s PRO 66 Cb 0.00 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 2awt s PRO 66 CO 0.00 -0.14 0.95 0.42 0.04 0.00 0.00 177.00 178.27 2awt s ILE 67 N -1.23 4.28 0.00 0.56 1.01 -0.98 -4.99 121.20 119.85 2awt s ILE 67 Ca 0.51 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.85 2awt s ILE 67 Cb -0.35 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2awt s ILE 67 CO 0.45 -0.03 0.00 0.59 0.00 0.00 0.00 174.94 175.95 2awt n ASN 68 N 0.11 0.00 -0.04 3.58 3.02 -1.26 -4.88 115.26 115.79 2awt n ASN 68 Ca 0.04 -0.96 0.02 0.00 -0.03 0.00 0.00 54.58 53.65 2awt n ASN 68 Cb 0.52 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 2awt n ASN 68 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2awt n GLU 69 N -0.96 0.67 -1.08 3.52 0.28 -1.26 -4.32 120.64 117.48 2awt n GLU 69 Ca 0.00 -0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 56.75 2awt n GLU 69 Cb 0.00 -1.54 0.17 0.00 1.43 0.00 0.00 31.44 31.50 2awt n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2awt n THR 70 N -2.49 2.88 -4.01 3.84 5.66 -1.26 -4.90 114.28 114.00 2awt n THR 70 Ca -0.16 -2.60 -0.22 0.00 -3.05 0.00 0.00 64.05 58.02 2awt n THR 70 Cb 0.82 -0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 69.04 2awt n THR 70 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2awt s ASP 71 N -2.13 4.89 0.08 1.09 1.11 -1.26 -5.15 116.67 115.29 2awt s ASP 71 Ca 0.51 -0.68 0.01 0.00 0.18 0.00 0.00 52.55 52.57 2awt s ASP 71 Cb 0.44 -0.82 -0.04 0.00 1.07 0.00 0.00 42.92 43.58 2awt s ASP 71 CO 0.03 -0.31 -0.05 0.42 1.18 0.00 0.00 175.17 176.44 2awt s THR 72 N -2.38 0.50 0.29 -1.27 -4.23 -1.26 -4.81 115.64 102.47 2awt s THR 72 Ca 0.39 -1.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.21 2awt s THR 72 Cb -0.04 -1.57 0.10 0.00 1.34 0.00 0.00 72.50 72.34 2awt s THR 72 CO 0.24 -0.90 1.78 1.55 -0.54 0.00 0.00 174.62 176.75 2awt h PRO 73 N 3.11 0.00 -0.67 3.99 0.13 -1.91 -3.16 132.00 133.49 2awt h PRO 73 Ca -0.35 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.91 2awt h PRO 73 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2awt h PRO 73 CO 0.64 0.39 0.20 0.00 -0.23 0.00 0.00 178.00 179.01 2awt h ALA 74 N 1.61 0.87 -0.65 -0.56 0.00 -1.95 0.12 119.26 118.70 2awt h ALA 74 Ca -0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2awt h ALA 74 Cb 0.79 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2awt h ALA 74 CO 0.05 -0.26 0.13 0.94 0.00 0.00 0.00 179.25 180.11 2awt n GLN 75 N -5.07 4.34 -0.01 0.00 -0.06 -1.20 -4.10 117.38 111.28 2awt n GLN 75 Ca 0.11 -3.08 0.01 0.00 -2.00 0.00 0.00 57.00 52.04 2awt n GLN 75 Cb 0.37 -2.24 -0.03 0.00 -4.06 0.00 0.00 30.24 24.27 2awt n GLN 75 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2awt n LEU 76 N 0.27 0.00 -2.74 1.69 -0.00 0.32 -4.99 117.00 111.55 2awt n LEU 76 Ca 0.34 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.15 2awt n LEU 76 Cb 1.28 0.03 0.04 0.00 -0.00 0.00 0.00 43.42 44.78 2awt n LEU 76 CO 0.38 0.03 0.08 -0.62 -0.00 0.00 0.00 177.39 177.25 2awt n GLU 77 N -1.81 -5.02 -2.10 1.96 1.02 -0.49 -4.92 120.64 109.28 2awt n GLU 77 Ca -0.02 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.47 2awt n GLU 77 Cb 0.28 -5.31 0.03 0.00 -0.02 0.00 0.00 31.44 26.42 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt n MET 78 N -3.76 3.15 -1.34 3.49 0.00 -1.25 -4.97 117.12 112.44 2awt n MET 78 Ca -0.06 -3.82 0.00 0.00 0.00 0.00 0.00 57.70 53.83 2awt n MET 78 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.52 2awt n MET 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2awt n GLU 79 N -0.47 2.49 -3.26 3.17 4.71 -1.26 -4.48 120.64 121.54 2awt n GLU 79 Ca 0.51 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.49 2awt n GLU 79 Cb 0.30 0.00 0.07 0.00 -1.01 0.00 0.00 31.44 30.80 2awt n GLU 79 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2awt n ASP 80 N -0.85 -3.63 -3.05 1.62 2.03 -1.26 -3.16 116.55 108.26 2awt n ASP 80 Ca 0.00 -0.47 -0.14 0.00 0.52 0.00 0.00 54.79 54.70 2awt n ASP 80 Cb 0.00 -4.20 0.08 0.00 -0.72 0.00 0.00 41.12 36.28 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2awt n GLU 81 N -3.80 -5.56 -1.50 -0.67 1.02 -1.14 -5.00 120.64 103.99 2awt n GLU 81 Ca -0.12 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.43 2awt n GLU 81 Cb 0.60 -5.34 0.21 0.00 -0.02 0.00 0.00 31.44 26.88 2awt n GLU 81 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2awt s ASP 82 N -4.14 2.08 -0.16 1.62 -4.77 -1.14 -4.89 116.67 105.27 2awt s ASP 82 Ca 0.00 0.48 -0.02 0.00 -3.30 0.00 0.00 52.55 49.71 2awt s ASP 82 Cb -0.00 -0.64 0.05 0.00 -1.09 0.00 0.00 42.92 41.24 2awt s ASP 82 CO 0.62 -3.39 0.02 -0.89 0.70 0.00 0.00 175.17 172.22 2awt s THR 83 N -3.44 0.56 -0.05 2.11 2.01 -1.26 -2.24 115.64 113.33 2awt s THR 83 Ca 0.72 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 2awt s THR 83 Cb -0.07 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2awt s THR 83 CO 0.54 -0.07 0.60 -0.63 -0.69 0.00 0.00 174.62 174.37 2awt s ILE 84 N 1.86 5.02 -0.10 1.82 1.09 0.11 -4.93 121.20 126.07 2awt s ILE 84 Ca 0.01 1.24 -0.12 0.00 -1.10 0.00 0.00 60.65 60.67 2awt s ILE 84 Cb -0.16 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.26 2awt s ILE 84 CO -0.07 0.35 0.30 -1.81 -0.10 0.00 0.00 174.94 173.60 2awt s ASP 85 N 0.30 6.55 -0.02 3.58 1.01 0.57 -1.11 116.67 127.55 2awt s ASP 85 Ca 0.32 0.66 0.01 0.00 0.71 0.00 0.00 52.55 54.24 2awt s ASP 85 Cb -0.17 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.59 2awt s ASP 85 CO 0.16 0.25 -0.02 -0.69 0.21 0.00 0.00 175.17 175.08 2awt s VAL 86 N -0.42 0.26 0.04 -1.27 1.01 -1.16 0.02 120.40 118.88 2awt s VAL 86 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2awt s VAL 86 Cb -0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2awt s VAL 86 CO 0.07 0.11 0.33 0.12 0.00 0.00 0.00 175.10 175.73 2awt s PHE 87 N 0.38 3.58 0.00 5.22 5.36 -1.26 -2.64 117.98 128.62 2awt s PHE 87 Ca -0.04 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2awt s PHE 87 Cb -0.07 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 2awt s PHE 87 CO -0.01 0.57 0.00 1.04 -1.46 0.00 0.00 175.22 175.36 2awt n GLN 88 N 1.03 0.83 -3.15 10.12 3.00 -1.26 -3.24 117.38 124.70 2awt n GLN 88 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.93 2awt n GLN 88 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.76 2awt n GLN 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2awt s GLN 89 N -1.91 0.54 -0.19 -1.09 -0.21 -1.26 -4.99 119.66 110.56 2awt s GLN 89 Ca 0.00 0.92 -0.08 0.00 0.02 0.00 0.00 55.36 56.22 2awt s GLN 89 Cb 0.00 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.47 2awt s GLN 89 CO 0.00 -0.63 0.08 -0.65 -2.12 0.00 0.00 175.29 171.97 2awt s GLN 90 N 2.86 4.02 -0.18 2.91 1.11 -1.26 -4.80 119.66 124.33 2awt s GLN 90 Ca 0.19 -0.32 0.03 0.00 0.01 0.00 0.00 55.36 55.27 2awt s GLN 90 Cb -0.14 -3.27 -0.22 0.00 -1.01 0.00 0.00 33.01 28.36 2awt s GLN 90 CO -0.21 0.26 0.13 2.41 0.01 0.00 0.00 175.29 177.89 2awt n THR 91 N 3.60 1.59 -2.02 -0.19 -1.04 -1.26 -4.70 114.28 110.25 2awt n THR 91 Ca -0.16 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 2awt n THR 91 Cb 0.52 -1.34 -0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2awt n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2awt n GLY 92 N 2.01 0.64 0.00 3.41 0.00 -1.26 -5.12 105.19 104.88 2awt n GLY 92 Ca -0.36 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2awt n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLY 93 N 0.02 4.04 2.89 -0.02 0.00 -1.26 -5.16 105.19 105.70 2awt n GLY 93 Ca -0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2awt n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awt s VAL 94 N 0.41 0.01 -2.60 1.61 0.11 -1.26 -4.99 120.40 113.69 2awt s VAL 94 Ca 0.00 -0.09 0.27 0.00 -2.93 0.00 0.00 61.98 59.23 2awt s VAL 94 Cb 0.00 -0.05 0.48 0.00 -1.53 0.00 0.00 36.38 35.28 2awt s VAL 94 CO 0.00 -0.05 1.65 0.00 -3.33 0.00 0.00 175.10 173.36