#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 3.52 -0.11 3.04 0.00 -1.26 -4.99 121.76 121.96 2awt s ALA 2 Ca 0.00 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.40 2awt s ALA 2 Cb 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 23.12 20.99 2awt s ALA 2 CO 0.00 0.30 0.54 -0.40 0.00 0.00 0.00 175.76 176.20 2awt n ASP 3 N 3.11 0.55 -4.76 0.00 5.68 -1.26 -4.95 116.55 114.92 2awt n ASP 3 Ca -0.17 0.25 -0.32 0.00 -0.50 0.00 0.00 54.79 54.05 2awt n ASP 3 Cb 0.53 0.50 0.09 0.00 -1.14 0.00 0.00 41.12 41.10 2awt n ASP 3 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2awt s GLU 4 N -2.77 2.22 -0.50 0.11 2.02 -1.26 -5.02 118.70 113.50 2awt s GLU 4 Ca -0.06 1.28 0.07 0.00 0.02 0.00 0.00 54.97 56.28 2awt s GLU 4 Cb 0.08 -1.89 0.24 0.00 0.10 0.00 0.00 34.13 32.67 2awt s GLU 4 CO 0.83 -1.69 0.60 1.63 0.02 0.00 0.00 175.26 176.65 2awt n LYS 5 N -3.36 1.46 -2.04 1.61 5.02 -1.26 -5.06 118.16 114.53 2awt n LYS 5 Ca 0.10 -3.85 -0.31 0.00 -2.02 0.00 0.00 58.31 52.23 2awt n LYS 5 Cb 0.53 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.66 2.58 -1.36 1.97 0.04 -1.26 -4.87 135.00 130.44 2awt s PRO 6 Ca 0.37 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.37 2awt s PRO 6 Cb 0.15 -4.82 0.10 0.00 0.04 0.00 0.00 34.50 29.96 2awt s PRO 6 CO -0.08 -3.15 2.41 1.17 0.04 0.00 0.00 177.00 177.40 2awt n LYS 7 N 8.97 4.38 -3.92 4.56 4.81 -1.26 -4.87 118.16 130.84 2awt n LYS 7 Ca 0.33 -3.30 -0.29 0.00 -0.87 0.00 0.00 58.31 54.18 2awt n LYS 7 Cb 0.49 -2.69 -0.16 0.00 0.02 0.00 0.00 35.03 32.69 2awt n LYS 7 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2awt s GLU 8 N -0.54 1.56 0.00 1.64 2.12 -1.26 -5.07 118.70 117.15 2awt s GLU 8 Ca 0.55 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.17 2awt s GLU 8 Cb 0.18 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2awt s GLU 8 CO -0.08 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 2awt n GLY 9 N 4.79 4.91 3.09 -1.50 0.00 -1.26 -5.13 105.19 110.09 2awt n GLY 9 Ca -0.12 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2awt n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 10 N -1.22 1.57 -0.11 1.61 1.01 -1.26 -5.13 120.40 116.88 2awt s VAL 10 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2awt s VAL 10 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2awt s VAL 10 CO 0.00 0.45 0.01 -0.54 0.00 0.00 0.00 175.10 175.02 2awt s LYS 11 N 0.80 3.20 0.13 2.72 3.01 -1.26 -5.11 119.74 123.22 2awt s LYS 11 Ca -0.10 -0.41 0.02 0.00 -1.01 0.00 0.00 55.97 54.47 2awt s LYS 11 Cb -0.16 -2.87 -0.04 0.00 -1.01 0.00 0.00 37.83 33.75 2awt s LYS 11 CO 0.01 0.60 -0.04 -0.08 0.51 0.00 0.00 175.35 176.35 2awt s THR 12 N -0.59 0.70 -0.10 2.17 -1.32 -1.26 -5.15 115.64 110.09 2awt s THR 12 Ca 0.10 -1.96 -0.03 0.00 -1.21 0.00 0.00 61.69 58.59 2awt s THR 12 Cb -0.12 -1.85 0.05 0.00 -1.51 0.00 0.00 72.50 69.07 2awt s THR 12 CO 0.02 -0.72 0.08 -1.83 -2.21 0.00 0.00 174.62 169.97 2awt s GLU 13 N -3.86 -0.00 -0.14 7.08 1.03 -1.26 -5.03 118.70 116.51 2awt s GLU 13 Ca 0.17 0.18 -0.12 0.00 0.03 0.00 0.00 54.97 55.23 2awt s GLU 13 Cb 0.05 -1.10 -0.06 0.00 -0.80 0.00 0.00 34.13 32.22 2awt s GLU 13 CO -0.01 -0.49 -0.26 -1.71 -1.33 0.00 0.00 175.26 171.46 2awt n ASN 14 N 5.29 1.61 -0.00 0.83 2.85 -1.26 -4.88 115.26 119.70 2awt n ASN 14 Ca -0.05 0.27 -0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2awt n ASN 14 Cb 0.50 -0.62 -0.00 0.00 1.24 0.00 0.00 39.78 40.90 2awt n ASN 14 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2awt h ASN 15 N -0.73 0.00 -2.23 1.20 -1.24 -1.97 -3.51 115.58 107.10 2awt h ASN 15 Ca -0.18 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.76 2awt h ASN 15 Cb 0.98 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 2awt h ASN 15 CO -0.11 0.00 0.04 0.47 -1.29 0.00 0.00 177.43 176.54 2awt n ASP 16 N -2.04 -0.85 -3.47 1.15 9.92 -1.26 -4.96 116.55 115.05 2awt n ASP 16 Ca -0.00 -1.78 0.01 0.00 -0.53 0.00 0.00 54.79 52.49 2awt n ASP 16 Cb 0.00 1.47 -0.03 0.00 -0.64 0.00 0.00 41.12 41.91 2awt n ASP 16 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2awt s HIS 17 N -5.13 -1.23 0.32 1.24 -3.43 0.53 -4.15 115.29 103.44 2awt s HIS 17 Ca 0.10 1.89 0.05 0.00 -0.80 0.00 0.00 55.06 56.30 2awt s HIS 17 Cb -0.01 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2awt s HIS 17 CO 0.07 -0.63 0.23 0.96 -2.00 0.00 0.00 174.74 173.37 2awt s ILE 18 N 2.81 0.09 0.04 -5.38 -4.36 0.11 -4.95 121.20 109.55 2awt s ILE 18 Ca 0.01 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 2awt s ILE 18 Cb -0.11 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2awt s ILE 18 CO -0.19 0.00 -0.25 0.21 0.24 0.00 0.00 174.94 174.96 2awt s ASN 19 N -3.37 3.29 0.00 4.36 2.47 -1.26 -3.35 114.94 117.08 2awt s ASN 19 Ca 0.38 -0.55 -0.04 0.00 0.42 0.00 0.00 52.86 53.08 2awt s ASN 19 Cb 0.03 -0.36 -0.01 0.00 -1.45 0.00 0.00 41.25 39.47 2awt s ASN 19 CO 0.23 0.26 0.07 -0.76 -3.72 0.00 0.00 177.10 173.18 2awt s LEU 20 N -1.23 1.82 -0.18 3.21 1.43 -1.14 -3.71 118.68 118.88 2awt s LEU 20 Ca 0.12 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2awt s LEU 20 Cb -0.10 0.40 0.06 0.00 0.03 0.00 0.00 46.19 46.58 2awt s LEU 20 CO 0.02 -0.29 0.08 -0.54 0.23 0.00 0.00 176.35 175.86 2awt s LYS 21 N -1.17 0.18 -0.60 1.70 1.02 -1.18 -1.39 119.74 118.30 2awt s LYS 21 Ca -0.13 -0.17 -0.21 0.00 0.02 0.00 0.00 55.97 55.49 2awt s LYS 21 Cb -0.07 -1.86 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 2awt s LYS 21 CO 0.00 -0.68 0.82 0.54 -0.92 0.00 0.00 175.35 175.12 2awt s VAL 22 N 2.08 4.58 -0.04 3.17 0.11 0.92 0.06 120.40 131.29 2awt s VAL 22 Ca 0.02 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2awt s VAL 22 Cb -0.16 -4.54 -0.01 0.00 -1.53 0.00 0.00 36.38 30.14 2awt s VAL 22 CO -0.10 -1.20 -0.21 0.00 -3.33 0.00 0.00 175.10 170.25 2awt s ALA 23 N 3.37 1.84 -0.03 1.54 0.00 -0.55 -1.08 121.76 126.86 2awt s ALA 23 Ca 0.18 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2awt s ALA 23 Cb -0.19 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2awt s ALA 23 CO 0.10 0.39 0.13 0.20 0.00 0.00 0.00 175.76 176.58 2awt s GLY 24 N -0.25 2.10 0.66 0.00 0.00 0.31 -2.73 107.32 107.42 2awt s GLY 24 Ca 0.01 -0.79 0.40 0.00 0.00 0.00 0.00 44.72 44.35 2awt s GLY 24 CO 0.01 -0.64 2.26 -1.61 0.00 0.00 0.00 173.10 173.12 2awt h GLN 25 N 4.16 0.00 0.00 2.90 4.15 -1.87 -3.12 115.11 121.33 2awt h GLN 25 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2awt h GLN 25 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2awt h GLN 25 CO 0.64 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.29 2awt n ASP 26 N -3.11 0.00 -2.69 -0.69 9.92 -1.26 -4.63 116.55 114.09 2awt n ASP 26 Ca -0.03 0.34 -0.06 0.00 -0.53 0.00 0.00 54.79 54.51 2awt n ASP 26 Cb 0.15 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.38 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2awt n GLY 27 N 2.11 0.27 3.20 0.44 0.00 -1.20 -0.30 105.19 109.71 2awt n GLY 27 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.82 1.87 -0.30 1.61 0.01 -1.18 -4.90 113.70 109.99 2awt s SER 28 Ca 0.17 -0.65 -0.19 0.00 1.31 0.00 0.00 55.95 56.59 2awt s SER 28 Cb 0.28 -0.07 0.17 0.00 0.21 0.00 0.00 66.02 66.61 2awt s SER 28 CO -0.08 -0.06 1.25 0.54 0.41 0.00 0.00 173.24 175.31 2awt s VAL 29 N -1.34 -0.03 -0.08 3.43 0.11 -1.18 -0.53 120.40 120.78 2awt s VAL 29 Ca 0.01 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 2awt s VAL 29 Cb -0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 2awt s VAL 29 CO 0.03 0.00 0.25 -0.69 -3.33 0.00 0.00 175.10 171.35 2awt s VAL 30 N 2.97 0.01 -0.06 2.04 1.01 -0.24 -4.94 120.40 121.20 2awt s VAL 30 Ca -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2awt s VAL 30 Cb -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2awt s VAL 30 CO -0.07 -0.05 0.13 -1.10 0.00 0.00 0.00 175.10 174.02 2awt s GLN 31 N -0.09 3.33 0.07 2.72 -0.21 -1.26 -0.05 119.66 124.17 2awt s GLN 31 Ca -0.02 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.09 2awt s GLN 31 Cb -0.02 -3.06 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 2awt s GLN 31 CO 0.01 0.71 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.76 2awt s PHE 32 N -1.15 0.76 -0.29 0.91 0.40 -0.49 -5.00 117.98 113.12 2awt s PHE 32 Ca 0.21 -0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 2awt s PHE 32 Cb -0.12 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 42.97 2awt s PHE 32 CO 0.11 -0.14 0.07 -1.59 0.70 0.00 0.00 175.22 174.37 2awt s LYS 33 N -2.90 3.05 0.00 0.44 -2.85 -1.26 -2.90 119.74 113.32 2awt s LYS 33 Ca 0.02 -0.88 0.06 0.00 -1.00 0.00 0.00 55.97 54.17 2awt s LYS 33 Cb -0.01 -3.35 -0.02 0.00 -2.06 0.00 0.00 37.83 32.39 2awt s LYS 33 CO -0.03 -0.45 -0.18 0.42 0.10 0.00 0.00 175.35 175.21 2awt s ILE 34 N 1.48 1.39 0.00 3.79 1.09 -1.21 -5.03 121.20 122.71 2awt s ILE 34 Ca 0.02 -0.86 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 2awt s ILE 34 Cb -0.17 -1.18 0.00 0.00 -1.06 0.00 0.00 42.46 40.05 2awt s ILE 34 CO 0.02 0.31 0.48 0.29 -0.10 0.00 0.00 174.94 175.94 2awt n LYS 35 N 2.41 0.00 0.04 2.79 5.02 -1.26 0.10 118.16 127.26 2awt n LYS 35 Ca -0.16 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2awt n LYS 35 Cb 0.54 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 2awt n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2awt n ARG 36 N -1.03 0.00 -3.60 1.97 0.63 -1.26 -0.35 116.66 113.02 2awt n ARG 36 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2awt n ARG 36 Cb 0.00 -0.17 -0.16 0.00 0.45 0.00 0.00 32.46 32.58 2awt n ARG 36 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2awt s HIS 37 N -1.48 0.42 0.06 -0.14 -3.43 -1.26 -3.85 115.29 105.61 2awt s HIS 37 Ca 0.00 -0.68 0.01 0.00 -0.80 0.00 0.00 55.06 53.59 2awt s HIS 37 Cb 0.00 -0.87 -0.04 0.00 -1.43 0.00 0.00 32.58 30.24 2awt s HIS 37 CO 0.00 -0.67 0.14 -0.08 -2.00 0.00 0.00 174.74 172.13 2awt s THR 38 N 2.06 4.97 0.03 -5.38 -1.32 -1.26 -5.04 115.64 109.71 2awt s THR 38 Ca 0.05 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2awt s THR 38 Cb -0.16 -3.39 -0.06 0.00 -1.51 0.00 0.00 72.50 67.37 2awt s THR 38 CO -0.21 0.16 1.42 -2.16 -2.21 0.00 0.00 174.62 171.63 2awt s PRO 39 N -2.35 4.28 0.58 7.08 0.04 -1.26 -4.75 135.00 138.62 2awt s PRO 39 Ca 0.31 2.03 0.30 0.00 0.04 0.00 0.00 61.00 63.67 2awt s PRO 39 Cb -0.13 -3.51 1.43 0.00 0.04 0.00 0.00 34.50 32.34 2awt s PRO 39 CO 0.24 -0.56 1.83 -0.07 0.04 0.00 0.00 177.00 178.48 2awt h LEU 40 N 8.04 0.00 -0.41 -3.56 4.07 -1.83 -1.41 115.31 120.21 2awt h LEU 40 Ca -0.39 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.65 2awt h LEU 40 Cb 1.19 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.84 2awt h LEU 40 CO 0.90 0.00 -0.23 0.28 -1.08 0.00 0.00 178.44 178.31 2awt h SER 41 N 0.00 -0.77 -0.96 -0.43 0.02 -1.90 0.23 113.55 109.75 2awt h SER 41 Ca 0.29 0.17 0.25 0.00 -0.84 0.00 0.00 61.79 61.66 2awt h SER 41 Cb 1.49 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 64.37 2awt h SER 41 CO -0.00 -0.25 0.65 0.07 -1.14 0.00 0.00 176.83 176.15 2awt h LYS 42 N -0.15 0.23 0.10 3.45 5.09 -1.65 -0.32 116.57 123.32 2awt h LYS 42 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.92 2awt h LYS 42 Cb 0.46 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.74 2awt h LYS 42 CO -0.50 0.15 -0.05 1.25 -2.09 0.00 0.00 179.45 178.22 2awt h LEU 43 N 0.24 -0.11 -0.39 7.07 7.12 -0.73 -3.06 115.31 125.45 2awt h LEU 43 Ca 0.49 -0.48 0.08 0.00 0.13 0.00 0.00 57.88 58.10 2awt h LEU 43 Cb 1.51 0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 41.59 2awt h LEU 43 CO -0.14 0.51 -0.10 0.24 -0.13 0.00 0.00 178.44 178.83 2awt h MET 44 N -0.83 0.00 -0.13 1.25 2.86 -0.14 0.19 114.93 118.14 2awt h MET 44 Ca -0.01 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2awt h MET 44 Cb 0.58 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 2awt h MET 44 CO 0.02 0.00 -0.38 -0.22 1.06 0.00 0.00 176.91 177.39 2awt h LYS 45 N 0.00 -0.44 -0.25 1.72 1.63 -1.20 0.08 116.57 118.11 2awt h LYS 45 Ca 0.19 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2awt h LYS 45 Cb 0.29 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2awt h LYS 45 CO -0.40 -0.29 0.16 0.00 -3.45 0.00 0.00 179.45 175.46 2awt h ALA 46 N 0.23 0.31 -0.10 5.00 0.00 -1.32 -2.61 119.26 120.76 2awt h ALA 46 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2awt h ALA 46 Cb 0.60 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2awt h ALA 46 CO -0.38 -0.23 -0.42 -0.92 0.00 0.00 0.00 179.25 177.31 2awt h TYR 47 N 0.32 -1.19 -0.77 0.00 5.03 -0.03 -1.35 116.97 118.98 2awt h TYR 47 Ca 0.09 0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.60 2awt h TYR 47 Cb -0.03 0.54 -0.10 0.00 1.55 0.00 0.00 36.73 38.68 2awt h TYR 47 CO -0.07 -0.48 0.28 0.00 -1.32 0.00 0.00 178.16 176.57 2awt h GLU 49 N 0.39 0.61 0.00 0.00 4.81 -0.86 0.28 114.58 119.80 2awt h GLU 49 Ca 0.43 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 2awt h GLU 49 Cb 0.71 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2awt h GLU 49 CO -0.45 0.40 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.85 2awt h ARG 50 N 0.62 0.00 -2.36 1.92 9.65 -0.49 -3.44 114.38 120.29 2awt h ARG 50 Ca 0.57 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.86 2awt h ARG 50 Cb 1.09 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.27 2awt h ARG 50 CO -0.35 0.04 -0.86 1.04 2.80 0.00 0.00 179.97 182.65 2awt n GLN 51 N -4.68 1.16 -2.00 0.20 1.13 0.70 -5.02 117.38 108.87 2awt n GLN 51 Ca -0.05 -3.76 -0.42 0.00 -1.94 0.00 0.00 57.00 50.83 2awt n GLN 51 Cb 0.16 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.74 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2awt n GLY 52 N 1.81 4.59 0.01 1.08 0.00 0.96 -4.39 105.19 109.24 2awt n GLY 52 Ca 0.25 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.50 2awt n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2awt n LEU 53 N 5.05 0.00 -2.77 0.99 -0.00 -1.26 -4.87 117.00 114.14 2awt n LEU 53 Ca 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.44 2awt n LEU 53 Cb 0.38 0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.82 2awt n LEU 53 CO 0.86 0.01 0.13 -0.44 -0.00 0.00 0.00 177.39 177.95 2awt s SER 54 N -3.32 -1.43 0.22 1.45 0.01 -1.26 -4.99 113.70 104.38 2awt s SER 54 Ca -0.04 -1.69 0.19 0.00 1.31 0.00 0.00 55.95 55.72 2awt s SER 54 Cb 0.07 1.87 0.03 0.00 0.21 0.00 0.00 66.02 68.20 2awt s SER 54 CO 0.45 -0.05 1.16 0.00 0.41 0.00 0.00 173.24 175.21 2awt h MET 55 N 5.03 0.00 0.00 12.44 -0.00 -1.89 -2.65 114.93 127.86 2awt h MET 55 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.65 2awt h MET 55 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.69 2awt h MET 55 CO 0.01 0.20 -2.09 2.89 -0.00 0.00 0.00 176.91 177.92 2awt n ARG 56 N -2.93 0.67 0.02 -0.10 1.85 -1.26 -4.39 116.66 110.52 2awt n ARG 56 Ca -0.02 -0.14 -0.13 0.00 -1.00 0.00 0.00 57.85 56.56 2awt n ARG 56 Cb 0.68 -1.53 -0.14 0.00 -1.05 0.00 0.00 32.46 30.42 2awt n ARG 56 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2awt h GLN 57 N 0.00 0.13 -6.06 2.89 5.75 -1.95 -3.45 115.11 112.42 2awt h GLN 57 Ca -0.16 -0.22 -0.56 0.00 -0.15 0.00 0.00 58.65 57.55 2awt h GLN 57 Cb 1.36 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.94 2awt h GLN 57 CO 0.01 0.88 0.22 0.42 -2.65 0.00 0.00 178.83 177.71 2awt s ILE 58 N -2.61 4.97 0.39 2.39 1.01 -1.00 -4.80 121.20 121.54 2awt s ILE 58 Ca -0.09 1.59 0.04 0.00 0.00 0.00 0.00 60.65 62.19 2awt s ILE 58 Cb 0.08 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2awt s ILE 58 CO 0.82 0.17 0.15 -0.13 0.00 0.00 0.00 174.94 175.95 2awt s ARG 59 N 1.26 1.87 0.00 2.79 1.81 -1.23 -4.84 118.95 120.61 2awt s ARG 59 Ca 0.40 -2.13 -0.02 0.00 -1.72 0.00 0.00 55.73 52.26 2awt s ARG 59 Cb -0.18 -0.42 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 2awt s ARG 59 CO 0.18 -0.50 0.17 -0.06 -0.68 0.00 0.00 175.30 174.41 2awt s PHE 60 N -3.28 3.51 -0.15 -0.53 0.40 -1.26 -1.15 117.98 115.52 2awt s PHE 60 Ca 0.27 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.79 2awt s PHE 60 Cb 0.03 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.79 2awt s PHE 60 CO 0.17 0.63 0.39 0.50 0.70 0.00 0.00 175.22 177.61 2awt s ARG 61 N -1.99 0.45 0.14 0.44 3.52 0.21 -3.84 118.95 117.88 2awt s ARG 61 Ca 0.28 0.57 0.10 0.00 -0.13 0.00 0.00 55.73 56.54 2awt s ARG 61 Cb -0.13 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 2awt s ARG 61 CO 0.19 -0.06 -0.20 0.12 -0.81 0.00 0.00 175.30 174.54 2awt s PHE 62 N 0.32 2.46 -0.82 5.12 5.36 -1.17 -2.10 117.98 127.14 2awt s PHE 62 Ca -0.01 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.59 2awt s PHE 62 Cb -0.03 -1.28 -0.11 0.00 -0.34 0.00 0.00 43.02 41.25 2awt s PHE 62 CO -0.01 0.41 2.58 -3.47 -1.46 0.00 0.00 175.22 173.27 2awt n ASP 63 N 0.66 5.69 0.00 6.13 2.03 -1.26 -3.06 116.55 126.74 2awt n ASP 63 Ca -0.15 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.80 2awt n ASP 63 Cb 0.54 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 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 3.35 0.07 3.37 0.27 0.00 -1.26 -5.16 105.19 105.83 2awt n GLY 64 Ca 0.50 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 2awt n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2awt s GLN 65 N -0.89 1.17 0.90 1.61 -1.52 -1.17 -5.17 119.66 114.58 2awt s GLN 65 Ca 0.00 -0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 52.73 2awt s GLN 65 Cb 0.00 0.53 0.13 0.00 -0.22 0.00 0.00 33.01 33.45 2awt s GLN 65 CO 0.00 -0.49 1.09 -1.25 -0.25 0.00 0.00 175.29 174.40 2awt s PRO 66 N -3.71 1.24 -0.03 2.91 0.04 -1.26 -3.06 135.00 131.12 2awt s PRO 66 Ca 0.02 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 2awt s PRO 66 Cb 0.00 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2awt s PRO 66 CO -0.12 -2.25 0.03 0.42 0.04 0.00 0.00 177.00 175.12 2awt s ILE 67 N -2.93 -0.04 0.00 0.56 1.01 -1.25 -4.85 121.20 113.70 2awt s ILE 67 Ca 0.63 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2awt s ILE 67 Cb -0.18 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.17 2awt s ILE 67 CO 0.57 0.12 0.00 0.59 0.00 0.00 0.00 174.94 176.22 2awt n ASN 68 N 4.44 1.17 0.12 3.58 4.13 -1.26 -4.49 115.26 122.95 2awt n ASN 68 Ca -0.22 -0.96 0.04 0.00 1.68 0.00 0.00 54.58 55.12 2awt n ASN 68 Cb 0.50 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.76 2awt n ASN 68 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2awt h GLU 69 N 0.00 0.00 -0.94 3.52 -0.00 -2.01 -3.27 114.58 111.88 2awt h GLU 69 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.03 2awt h GLU 69 Cb 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 28.75 28.55 2awt h GLU 69 CO 0.00 0.33 0.42 -2.37 -0.00 0.00 0.00 179.01 177.38 2awt n THR 70 N -3.07 2.63 -4.75 -1.06 5.66 -1.26 -4.66 114.28 107.77 2awt n THR 70 Ca -0.01 -1.43 -0.33 0.00 -3.05 0.00 0.00 64.05 59.24 2awt n THR 70 Cb 0.71 -0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.77 4.03 0.10 1.09 1.11 -1.24 -5.17 116.67 115.83 2awt s ASP 71 Ca 0.44 -1.68 -0.12 0.00 0.18 0.00 0.00 52.55 51.37 2awt s ASP 71 Cb 0.37 0.59 0.02 0.00 1.07 0.00 0.00 42.92 44.97 2awt s ASP 71 CO 0.09 -0.89 0.29 0.42 1.18 0.00 0.00 175.17 176.27 2awt s THR 72 N -2.92 0.11 0.17 -1.27 -4.23 -1.26 -4.64 115.64 101.60 2awt s THR 72 Ca 0.05 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2awt s THR 72 Cb 0.01 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 2awt s THR 72 CO 0.03 -0.48 1.52 1.55 -0.54 0.00 0.00 174.62 176.70 2awt h PRO 73 N 2.59 0.79 -0.15 3.99 0.13 -1.87 -2.96 132.00 134.52 2awt h PRO 73 Ca -0.34 -0.41 0.04 0.00 -0.87 0.00 0.00 66.00 64.42 2awt h PRO 73 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2awt h PRO 73 CO 0.51 1.04 0.18 0.00 -0.23 0.00 0.00 178.00 179.51 2awt h ALA 74 N 0.90 1.74 -0.41 -0.56 0.00 -1.87 0.28 119.26 119.33 2awt h ALA 74 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2awt h ALA 74 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2awt h ALA 74 CO 0.09 -0.26 0.00 0.94 0.00 0.00 0.00 179.25 180.02 2awt n GLN 75 N -3.74 3.31 -0.02 0.00 -0.06 -1.12 -3.76 117.38 111.99 2awt n GLN 75 Ca 0.01 -2.04 0.00 0.00 -2.00 0.00 0.00 57.00 52.97 2awt n GLN 75 Cb 0.30 -1.89 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2awt n LEU 76 N 0.53 0.08 -3.86 1.69 4.32 0.97 -4.98 117.00 115.75 2awt n LEU 76 Ca 0.18 -0.12 -0.25 0.00 -0.02 0.00 0.00 56.01 55.80 2awt n LEU 76 Cb 0.79 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.60 2awt n LEU 76 CO 0.20 0.03 -0.11 -0.62 -1.22 0.00 0.00 177.39 175.67 2awt n GLU 77 N -0.02 -4.27 -3.56 3.23 1.02 -1.05 -4.92 120.64 111.08 2awt n GLU 77 Ca 0.00 0.52 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 2awt n GLU 77 Cb 0.50 -4.96 -0.06 0.00 -0.02 0.00 0.00 31.44 26.90 2awt n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2awt s MET 78 N -6.34 3.22 0.00 3.49 -1.94 -1.17 -5.01 119.30 111.55 2awt s MET 78 Ca 0.13 -2.83 0.00 0.00 -1.71 0.00 0.00 55.69 51.29 2awt s MET 78 Cb -0.07 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.71 2awt s MET 78 CO 0.85 -1.24 0.00 0.39 -0.01 0.00 0.00 175.02 175.01 2awt n GLU 79 N 3.15 0.00 -3.42 2.03 1.02 -1.26 -4.79 120.64 117.37 2awt n GLU 79 Ca 0.15 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 2awt n GLU 79 Cb 0.40 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.90 2awt n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2awt n ASP 80 N -2.00 -3.72 -2.86 1.62 2.03 -1.26 -2.54 116.55 107.81 2awt n ASP 80 Ca 0.00 -0.55 -0.18 0.00 0.52 0.00 0.00 54.79 54.58 2awt n ASP 80 Cb 0.00 -4.82 0.06 0.00 -0.72 0.00 0.00 41.12 35.64 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 -4.27 -6.02 -0.23 -0.67 1.02 -1.24 -5.00 120.64 104.22 2awt n GLU 81 Ca -0.16 0.63 -0.12 0.00 -0.02 0.00 0.00 57.16 57.50 2awt n GLU 81 Cb 0.62 -5.08 0.11 0.00 -0.02 0.00 0.00 31.44 27.06 2awt n GLU 81 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2awt n ASP 82 N -1.99 -2.19 -3.51 1.62 2.03 -1.05 -4.85 116.55 106.60 2awt n ASP 82 Ca -0.01 -0.53 -0.21 0.00 0.52 0.00 0.00 54.79 54.56 2awt n ASP 82 Cb 0.55 -0.39 -0.14 0.00 -0.72 0.00 0.00 41.12 40.43 2awt n ASP 82 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2awt s THR 83 N -1.58 -0.25 -0.19 5.18 2.01 -1.26 -3.12 115.64 116.43 2awt s THR 83 Ca 0.27 -0.24 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 2awt s THR 83 Cb -0.04 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 2awt s THR 83 CO 0.21 -0.31 0.63 -0.63 -0.69 0.00 0.00 174.62 173.84 2awt s ILE 84 N 2.26 5.02 0.32 1.82 1.01 0.11 -4.93 121.20 126.82 2awt s ILE 84 Ca 0.06 1.21 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 2awt s ILE 84 Cb -0.16 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2awt s ILE 84 CO -0.17 0.13 0.95 -1.81 0.00 0.00 0.00 174.94 174.04 2awt s ASP 85 N 1.15 7.33 0.34 3.58 1.01 -0.89 -1.48 116.67 127.70 2awt s ASP 85 Ca 0.29 1.86 0.09 0.00 0.71 0.00 0.00 52.55 55.50 2awt s ASP 85 Cb -0.16 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 2awt s ASP 85 CO 0.11 -0.08 0.05 0.54 0.21 0.00 0.00 175.17 176.00 2awt s VAL 86 N -1.60 2.74 -0.35 -1.27 0.11 -1.10 -0.62 120.40 118.31 2awt s VAL 86 Ca 0.50 -1.90 -0.04 0.00 -2.93 0.00 0.00 61.98 57.61 2awt s VAL 86 Cb -0.19 -2.85 0.06 0.00 -1.53 0.00 0.00 36.38 31.88 2awt s VAL 86 CO 0.24 -0.20 0.12 0.12 -3.33 0.00 0.00 175.10 172.05 2awt s PHE 87 N -2.49 3.35 -0.23 1.54 2.19 -0.30 -4.35 117.98 117.70 2awt s PHE 87 Ca 0.35 -1.82 -0.10 0.00 0.33 0.00 0.00 56.93 55.70 2awt s PHE 87 Cb -0.01 -2.54 -0.05 0.00 -1.31 0.00 0.00 43.02 39.12 2awt s PHE 87 CO 0.20 -0.83 0.13 -1.14 1.83 0.00 0.00 175.22 175.41 2awt s GLN 88 N 1.30 4.02 -0.78 10.12 0.74 -1.26 -3.57 119.66 130.23 2awt s GLN 88 Ca 0.00 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.14 2awt s GLN 88 Cb -0.21 -3.44 0.28 0.00 1.10 0.00 0.00 33.01 30.74 2awt s GLN 88 CO -0.00 0.10 1.05 0.94 -0.55 0.00 0.00 175.29 176.83 2awt n GLN 89 N 4.12 3.34 -4.74 1.67 0.00 -1.26 -5.03 117.38 115.49 2awt n GLN 89 Ca -0.16 -4.67 -0.33 0.00 -0.00 0.00 0.00 57.00 51.85 2awt n GLN 89 Cb 0.52 -2.34 -0.07 0.00 0.00 0.00 0.00 30.24 28.35 2awt n GLN 89 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2awt s GLN 90 N -2.79 2.23 0.10 3.69 -0.21 -1.26 -5.05 119.66 116.36 2awt s GLN 90 Ca 0.38 -2.43 0.18 0.00 0.02 0.00 0.00 55.36 53.52 2awt s GLN 90 Cb 0.14 -1.54 -0.10 0.00 1.00 0.00 0.00 33.01 32.50 2awt s GLN 90 CO 0.00 -0.42 0.89 1.15 -2.12 0.00 0.00 175.29 174.80 2awt h THR 91 N 1.26 0.40 -3.67 -0.19 2.02 -2.07 -3.47 112.91 107.18 2awt h THR 91 Ca -0.44 -1.78 -0.30 0.00 0.77 0.00 0.00 66.41 64.66 2awt h THR 91 Cb 1.33 1.93 -0.17 0.00 -1.74 0.00 0.00 68.15 69.50 2awt h THR 91 CO 0.72 0.23 -0.72 -0.83 0.37 0.00 0.00 175.52 175.29 2awt s GLY 92 N -4.69 0.87 -0.27 2.16 0.00 -1.26 -5.16 107.32 98.97 2awt s GLY 92 Ca -0.02 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.17 2awt s GLY 92 CO 0.80 -1.36 0.84 -0.32 0.00 0.00 0.00 173.10 173.06 2awt s GLY 93 N -2.71 -0.39 -0.15 0.20 0.00 -1.26 -5.00 107.32 98.01 2awt s GLY 93 Ca 0.09 2.28 -0.04 0.00 0.00 0.00 0.00 44.72 47.06 2awt s GLY 93 CO -0.01 1.79 0.06 0.14 0.00 0.00 0.00 173.10 175.08 2awt s VAL 94 N 0.33 0.12 -2.83 1.40 1.01 -1.12 -4.94 120.40 114.37 2awt s VAL 94 Ca 0.01 -0.15 0.25 0.00 0.00 0.00 0.00 61.98 62.09 2awt s VAL 94 Cb -0.05 -0.63 0.31 0.00 0.00 0.00 0.00 36.38 36.01 2awt s VAL 94 CO -0.02 -0.14 1.43 0.00 0.00 0.00 0.00 175.10 176.37