#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m42 n PRO 2 N 0.00 -2.08 0.00 -0.41 -0.04 -1.26 -4.83 135.00 126.39 1m42 n PRO 2 Ca 0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1m42 n PRO 2 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1m42 n PRO 2 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1m42 n LYS 3 N -4.23 0.00 -1.94 0.54 4.76 -1.26 -4.75 118.16 111.28 1m42 n LYS 3 Ca 0.16 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 1m42 n LYS 3 Cb 0.58 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 1m42 n LYS 3 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1m42 s LEU 4 N 0.00 4.35 0.00 -0.35 1.98 -1.26 -0.32 118.68 123.08 1m42 s LEU 4 Ca 0.00 2.38 0.00 0.00 -2.89 0.00 0.00 54.13 53.62 1m42 s LEU 4 Cb 0.00 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.31 1m42 s LEU 4 CO 0.00 -0.92 0.00 0.52 -1.89 0.00 0.00 176.35 174.06 1m42 n VAL 5 N 5.19 0.00 -4.29 1.68 0.31 -1.03 -4.92 118.33 115.28 1m42 n VAL 5 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.34 1m42 n VAL 5 Cb 0.42 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 1m42 n VAL 5 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1m42 s SER 6 N -4.69 1.49 0.29 4.52 0.01 -0.79 -5.04 113.70 109.49 1m42 s SER 6 Ca 0.00 -1.23 -0.18 0.00 1.31 0.00 0.00 55.95 55.85 1m42 s SER 6 Cb 0.00 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1m42 s SER 6 CO 0.00 -0.57 0.68 -0.94 0.41 0.00 0.00 173.24 172.82 1m42 s SER 7 N -3.26 -0.16 -0.44 2.44 1.04 -1.26 -0.16 113.70 111.90 1m42 s SER 7 Ca 0.28 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 56.00 1m42 s SER 7 Cb 0.06 0.72 0.18 0.00 0.10 0.00 0.00 66.02 67.08 1m42 s SER 7 CO 0.08 -1.36 0.46 0.41 0.98 0.00 0.00 173.24 173.81 1m42 n THR 8 N -0.46 -0.85 0.00 2.02 -1.04 0.49 -4.95 114.28 109.50 1m42 n THR 8 Ca -0.04 -2.76 0.00 0.00 -2.04 0.00 0.00 64.05 59.21 1m42 n THR 8 Cb 0.60 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1m42 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1m42 n PRO 9 N 2.78 0.00 0.00 -2.82 -0.04 -1.23 -0.70 135.00 132.98 1m42 n PRO 9 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1m42 n PRO 9 Cb 0.51 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1m42 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m42 n ALA 10 N -1.74 0.00 -1.53 0.55 0.00 -1.26 -4.61 120.51 111.91 1m42 n ALA 10 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1m42 n ALA 10 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1m42 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m42 n GLU 11 N 0.00 0.44 -2.82 0.00 1.02 -1.26 -0.91 120.64 117.12 1m42 n GLU 11 Ca 0.00 -0.26 -0.21 0.00 -0.02 0.00 0.00 57.16 56.67 1m42 n GLU 11 Cb 0.00 -2.56 0.01 0.00 -0.02 0.00 0.00 31.44 28.87 1m42 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m42 n GLY 12 N 6.23 -0.51 3.64 0.62 0.00 -0.01 -4.95 105.19 110.22 1m42 n GLY 12 Ca 0.53 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 1m42 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m42 s SER 13 N -2.43 6.62 -0.27 1.61 0.01 -0.09 -4.87 113.70 114.29 1m42 s SER 13 Ca 0.19 1.63 -0.00 0.00 1.31 0.00 0.00 55.95 59.08 1m42 s SER 13 Cb -0.09 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.65 1m42 s SER 13 CO 0.24 -1.05 -0.06 -1.61 0.41 0.00 0.00 173.24 171.17 1m42 s GLU 14 N 4.18 2.50 0.00 12.44 2.02 -1.26 -0.62 118.70 137.97 1m42 s GLU 14 Ca 0.64 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1m42 s GLU 14 Cb -0.23 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1m42 s GLU 14 CO 0.24 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1m42 n GLY 15 N 4.58 0.33 3.47 -1.39 0.00 -0.16 -4.94 105.19 107.07 1m42 n GLY 15 Ca -0.15 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1m42 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m42 s ALA 16 N 0.00 -1.51 0.14 4.61 0.00 -1.22 -0.85 121.76 122.93 1m42 s ALA 16 Ca 0.00 1.28 -0.34 0.00 0.00 0.00 0.00 51.96 52.89 1m42 s ALA 16 Cb 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 23.12 22.64 1m42 s ALA 16 CO 0.00 -0.32 1.17 0.00 0.00 0.00 0.00 175.76 176.60 1m42 n ALA 17 N 1.57 -1.18 -1.77 0.00 0.00 -1.26 -4.74 120.51 113.14 1m42 n ALA 17 Ca -0.18 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 1m42 n ALA 17 Cb 0.56 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 1m42 n ALA 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1m42 s PRO 18 N -0.17 4.21 0.20 0.00 0.04 -1.26 -4.94 135.00 133.07 1m42 s PRO 18 Ca 0.77 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 1m42 s PRO 18 Cb -0.92 -2.87 0.13 0.00 0.04 0.00 0.00 34.50 30.88 1m42 s PRO 18 CO 0.52 -0.22 1.83 0.00 0.04 0.00 0.00 177.00 179.16 1m42 h ALA 19 N 3.01 0.89 -2.93 8.56 0.00 -1.92 -3.46 119.26 123.41 1m42 h ALA 19 Ca -0.49 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1m42 h ALA 19 Cb 1.23 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1m42 h ALA 19 CO 0.64 0.38 0.08 -1.59 0.00 0.00 0.00 179.25 178.76 1m42 s LYS 20 N -5.94 1.65 -0.25 0.00 -2.85 -1.26 -4.67 119.74 106.42 1m42 s LYS 20 Ca -0.13 -1.07 0.02 0.00 -1.00 0.00 0.00 55.97 53.79 1m42 s LYS 20 Cb 0.14 0.55 0.06 0.00 -2.06 0.00 0.00 37.83 36.53 1m42 s LYS 20 CO 0.78 -0.73 -0.06 0.42 0.10 0.00 0.00 175.35 175.87 1m42 s ILE 21 N -3.95 1.81 -0.11 3.79 1.01 0.34 -4.76 121.20 119.32 1m42 s ILE 21 Ca 0.15 -1.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 1m42 s ILE 21 Cb -0.03 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1m42 s ILE 21 CO 0.06 -0.13 0.23 -1.61 0.00 0.00 0.00 174.94 173.49 1m42 s GLU 22 N 1.25 3.80 -0.06 2.79 2.02 0.12 -0.36 118.70 128.26 1m42 s GLU 22 Ca -0.05 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 1m42 s GLU 22 Cb -0.19 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 30.79 1m42 s GLU 22 CO -0.06 0.60 -0.01 -0.51 0.02 0.00 0.00 175.26 175.29 1m42 s LEU 23 N -0.58 0.78 -0.22 1.80 1.43 0.03 -0.38 118.68 121.55 1m42 s LEU 23 Ca 0.16 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1m42 s LEU 23 Cb -0.13 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.71 1m42 s LEU 23 CO 0.05 -0.16 -0.09 -1.00 0.23 0.00 0.00 176.35 175.38 1m42 s HIS 24 N 1.69 2.56 -0.05 0.29 3.76 0.78 -0.43 115.29 123.89 1m42 s HIS 24 Ca 0.01 -1.76 -0.04 0.00 -0.15 0.00 0.00 55.06 53.12 1m42 s HIS 24 Cb -0.13 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 1m42 s HIS 24 CO -0.04 -0.78 0.15 -0.06 -0.85 0.00 0.00 174.74 173.16 1m42 s PHE 25 N 1.35 3.52 0.07 1.40 0.08 -0.40 -1.88 117.98 122.11 1m42 s PHE 25 Ca -0.04 0.39 -0.17 0.00 0.12 0.00 0.00 56.93 57.23 1m42 s PHE 25 Cb -0.18 -1.85 -0.13 0.00 -0.57 0.00 0.00 43.02 40.29 1m42 s PHE 25 CO -0.07 0.66 1.33 0.77 -0.10 0.00 0.00 175.22 177.80 1m42 h SER 26 N 4.29 0.65 -3.52 1.36 0.02 -0.99 -3.44 113.55 111.93 1m42 h SER 26 Ca -0.51 -0.55 -0.52 0.00 -0.84 0.00 0.00 61.79 59.37 1m42 h SER 26 Cb 1.20 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1m42 h SER 26 CO 0.64 1.08 0.42 -0.70 -1.14 0.00 0.00 176.83 177.12 1m42 s GLU 27 N -4.05 4.63 -1.32 3.45 2.56 -1.26 -4.82 118.70 117.88 1m42 s GLU 27 Ca -0.13 1.56 -0.16 0.00 0.00 0.00 0.00 54.97 56.24 1m42 s GLU 27 Cb 0.07 -3.35 0.01 0.00 2.00 0.00 0.00 34.13 32.85 1m42 s GLU 27 CO 0.82 0.10 2.13 -1.71 -0.56 0.00 0.00 175.26 176.05 1m42 n ASN 28 N 2.86 3.71 -2.20 -1.70 4.05 -1.26 -4.75 115.26 115.96 1m42 n ASN 28 Ca 0.03 -2.82 -0.02 0.00 0.45 0.00 0.00 54.58 52.23 1m42 n ASN 28 Cb 0.48 -1.57 0.01 0.00 1.23 0.00 0.00 39.78 39.93 1m42 n ASN 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1m42 n LEU 29 N 6.65 0.00 -2.70 1.20 -0.00 -1.26 -4.83 117.00 116.07 1m42 n LEU 29 Ca 0.51 -0.08 -0.07 0.00 -0.00 0.00 0.00 56.01 56.38 1m42 n LEU 29 Cb 0.40 -0.06 0.01 0.00 -0.00 0.00 0.00 43.42 43.77 1m42 n LEU 29 CO 0.91 -0.66 0.02 0.52 -0.00 0.00 0.00 177.39 178.18 1m42 n VAL 30 N -2.22-10.19 0.00 1.47 0.31 0.84 -4.45 118.33 104.09 1m42 n VAL 30 Ca 0.01 0.85 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 1m42 n VAL 30 Cb 0.03 -6.94 0.00 0.00 -0.91 0.00 0.00 33.84 26.02 1m42 n VAL 30 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1m42 n THR 31 N -0.27 0.00 -2.68 2.52 -1.04 -1.26 -4.90 114.28 106.65 1m42 n THR 31 Ca 0.10 0.68 -0.05 0.00 -2.04 0.00 0.00 64.05 62.74 1m42 n THR 31 Cb 0.39 -1.60 0.11 0.00 -1.82 0.00 0.00 70.33 67.40 1m42 n THR 31 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1m42 n GLN 32 N -1.85 1.11 -0.66 -2.82 -0.06 -1.26 -4.99 117.38 106.85 1m42 n GLN 32 Ca 0.00 -1.42 0.00 0.00 -2.00 0.00 0.00 57.00 53.58 1m42 n GLN 32 Cb 0.00 0.13 0.00 0.00 -4.06 0.00 0.00 30.24 26.31 1m42 n GLN 32 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1m42 n PHE 33 N -0.89 0.00 -4.16 3.69 3.72 -1.26 -5.11 117.46 113.44 1m42 n PHE 33 Ca -0.10 -0.09 -0.23 0.00 -0.05 0.00 0.00 57.45 56.98 1m42 n PHE 33 Cb 0.83 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.28 1m42 n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1m42 s SER 34 N -1.04 4.73 0.20 4.37 0.15 -1.26 -4.49 113.70 116.35 1m42 s SER 34 Ca 0.05 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 55.80 1m42 s SER 34 Cb 0.06 -0.84 0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1m42 s SER 34 CO -0.03 -0.17 0.96 -0.83 1.20 0.00 0.00 173.24 174.38 1m42 s GLY 35 N -3.79 -0.04 0.10 9.45 0.00 -0.45 -5.03 107.32 107.57 1m42 s GLY 35 Ca 0.35 -0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.71 1m42 s GLY 35 CO 0.22 0.82 0.51 0.00 0.00 0.00 0.00 173.10 174.65 1m42 s ALA 36 N -2.80 -1.29 0.23 3.20 0.00 -1.26 -0.25 121.76 119.59 1m42 s ALA 36 Ca 0.16 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.42 1m42 s ALA 36 Cb -0.02 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1m42 s ALA 36 CO 0.05 -0.62 0.33 0.15 0.00 0.00 0.00 175.76 175.66 1m42 s LYS 37 N -3.24 1.41 -0.07 0.00 1.02 0.15 -4.82 119.74 114.20 1m42 s LYS 37 Ca -0.01 -1.44 0.01 0.00 0.02 0.00 0.00 55.97 54.56 1m42 s LYS 37 Cb 0.00 0.38 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1m42 s LYS 37 CO -0.08 -0.54 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.56 1m42 s LEU 38 N -3.09 1.36 -0.09 3.17 2.96 -1.26 -0.67 118.68 121.06 1m42 s LEU 38 Ca 0.30 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1m42 s LEU 38 Cb 0.03 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1m42 s LEU 38 CO 0.11 -0.04 -0.21 0.68 -1.32 0.00 0.00 176.35 175.56 1m42 s VAL 39 N 1.05 2.33 -1.21 1.68 -7.23 0.23 -0.69 120.40 116.57 1m42 s VAL 39 Ca -0.08 -0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.96 1m42 s VAL 39 Cb -0.14 -1.90 0.08 0.00 0.56 0.00 0.00 36.38 34.98 1m42 s VAL 39 CO -0.00 0.56 1.61 -0.32 -0.31 0.00 0.00 175.10 176.63 1m42 s MET 40 N 0.07 3.89 -1.33 4.82 1.75 0.59 -0.67 119.30 128.42 1m42 s MET 40 Ca -0.09 -1.85 -0.09 0.00 -1.25 0.00 0.00 55.69 52.41 1m42 s MET 40 Cb -0.15 -5.42 -0.10 0.00 2.84 0.00 0.00 34.83 32.00 1m42 s MET 40 CO 0.06 -2.17 3.02 2.41 -0.65 0.00 0.00 175.02 177.69 1m42 n THR 41 N 6.27 4.18 0.43 10.11 -1.04 -0.62 -2.92 114.28 130.68 1m42 n THR 41 Ca 0.43 -2.57 -0.17 0.00 -2.04 0.00 0.00 64.05 59.70 1m42 n THR 41 Cb 0.47 -2.46 -0.08 0.00 -1.82 0.00 0.00 70.33 66.44 1m42 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m42 h ALA 42 N 4.62 -1.10 -2.20 2.41 0.00 -1.61 -3.36 119.26 118.02 1m42 h ALA 42 Ca 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1m42 h ALA 42 Cb 0.48 0.42 -0.23 0.00 0.00 0.00 0.00 17.79 18.47 1m42 h ALA 42 CO 1.50 -1.03 -0.18 1.41 0.00 0.00 0.00 179.25 180.95 1m42 s MET 43 N -5.26 0.52 0.00 0.00 1.75 -1.26 -4.23 119.30 110.82 1m42 s MET 43 Ca -0.17 1.23 -0.02 0.00 -1.25 0.00 0.00 55.69 55.48 1m42 s MET 43 Cb 0.02 0.48 -0.11 0.00 2.84 0.00 0.00 34.83 38.06 1m42 s MET 43 CO 0.51 -0.20 2.57 -0.35 -0.65 0.00 0.00 175.02 176.89 1m42 n PRO 44 N 5.05 1.35 0.14 4.11 -0.04 -1.26 -4.47 135.00 139.88 1m42 n PRO 44 Ca -0.14 -0.40 -0.14 0.00 -0.04 0.00 0.00 63.50 62.78 1m42 n PRO 44 Cb 0.52 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1m42 n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1m42 h GLY 45 N 3.89 -0.35 -7.36 0.55 0.00 -1.96 -3.27 103.07 94.56 1m42 h GLY 45 Ca 0.08 0.13 -0.68 0.00 0.00 0.00 0.00 47.33 46.86 1m42 h GLY 45 CO 0.10 -0.13 0.64 1.06 0.00 0.00 0.00 176.54 178.21 1m42 s MET 46 N -5.04 3.38 -0.20 4.80 -1.94 -1.26 -4.80 119.30 114.23 1m42 s MET 46 Ca -0.15 -1.44 -0.06 0.00 -1.71 0.00 0.00 55.69 52.34 1m42 s MET 46 Cb 0.03 -4.61 0.01 0.00 2.01 0.00 0.00 34.83 32.27 1m42 s MET 46 CO 0.59 -1.75 0.11 -1.91 -0.01 0.00 0.00 175.02 172.06 1m42 n GLU 47 N 6.82 -0.90 -3.74 2.03 2.13 -1.23 -1.20 120.64 124.54 1m42 n GLU 47 Ca 0.11 -0.41 -0.26 0.00 0.66 0.00 0.00 57.16 57.26 1m42 n GLU 47 Cb 0.47 0.35 0.05 0.00 0.27 0.00 0.00 31.44 32.59 1m42 n GLU 47 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1m42 n HIS 48 N -1.60 -2.45 -3.06 4.31 -0.00 -1.24 -4.95 115.22 106.23 1m42 n HIS 48 Ca -0.02 0.94 -0.45 0.00 -0.00 0.00 0.00 57.72 58.19 1m42 n HIS 48 Cb 0.09 -4.48 -0.02 0.00 -0.00 0.00 0.00 29.99 25.58 1m42 n HIS 48 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1m42 s SER 49 N -3.53 6.66 0.92 0.26 0.01 -0.34 -5.04 113.70 112.63 1m42 s SER 49 Ca 0.50 -2.23 -0.13 0.00 1.31 0.00 0.00 55.95 55.40 1m42 s SER 49 Cb -0.24 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 63.80 1m42 s SER 49 CO 0.79 -0.91 1.14 -2.16 0.41 0.00 0.00 173.24 172.51 1m42 s PRO 50 N 1.87 1.05 -0.15 12.44 0.04 -1.26 -4.95 135.00 144.04 1m42 s PRO 50 Ca 0.27 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.59 1m42 s PRO 50 Cb -0.07 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1m42 s PRO 50 CO -0.09 -2.26 -0.15 -1.64 0.04 0.00 0.00 177.00 172.90 1m42 s MET 51 N -5.28 2.43 0.12 4.56 -1.94 -1.15 -4.90 119.30 113.13 1m42 s MET 51 Ca 0.64 -0.61 -0.31 0.00 -1.71 0.00 0.00 55.69 53.70 1m42 s MET 51 Cb -0.15 -2.17 -0.09 0.00 2.01 0.00 0.00 34.83 34.43 1m42 s MET 51 CO 0.53 -0.21 1.54 0.00 -0.01 0.00 0.00 175.02 176.87 1m42 s ALA 52 N 1.39 3.70 0.29 3.03 0.00 -1.26 -0.30 121.76 128.61 1m42 s ALA 52 Ca 0.04 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.31 1m42 s ALA 52 Cb -0.13 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1m42 s ALA 52 CO -0.10 -0.83 0.23 0.54 0.00 0.00 0.00 175.76 175.60 1m42 s VAL 53 N 1.60 4.01 -0.31 0.00 0.11 0.13 -4.93 120.40 121.01 1m42 s VAL 53 Ca 0.69 -1.40 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 1m42 s VAL 53 Cb -0.40 -3.29 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1m42 s VAL 53 CO 0.31 -0.27 1.21 -0.54 -3.33 0.00 0.00 175.10 172.48 1m42 s LYS 54 N -3.91 3.98 0.05 1.54 1.02 -1.26 -4.46 119.74 116.70 1m42 s LYS 54 Ca 0.36 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.54 1m42 s LYS 54 Cb -0.07 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1m42 s LYS 54 CO 0.25 -1.03 -0.06 0.00 -0.92 0.00 0.00 175.35 173.59 1m42 s ALA 55 N 4.07 0.55 -0.09 5.17 0.00 -1.26 -0.78 121.76 129.43 1m42 s ALA 55 Ca 0.52 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1m42 s ALA 55 Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1m42 s ALA 55 CO 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 175.76 175.79 1m42 s ALA 56 N -2.08 3.08 -0.28 0.00 0.00 0.45 -4.82 121.76 118.10 1m42 s ALA 56 Ca -0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1m42 s ALA 56 Cb -0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1m42 s ALA 56 CO -0.02 0.52 0.17 0.54 0.00 0.00 0.00 175.76 176.97 1m42 s VAL 57 N -0.64 5.08 0.51 0.00 0.11 -1.26 -0.51 120.40 123.69 1m42 s VAL 57 Ca 0.10 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1m42 s VAL 57 Cb -0.12 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 1m42 s VAL 57 CO 0.02 0.25 0.02 -0.44 -3.33 0.00 0.00 175.10 171.63 1m42 s SER 58 N 1.72 4.15 0.18 3.54 0.01 0.27 -4.99 113.70 118.59 1m42 s SER 58 Ca 0.07 -1.62 0.06 0.00 1.31 0.00 0.00 55.95 55.77 1m42 s SER 58 Cb -0.16 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1m42 s SER 58 CO 0.09 -0.86 -0.13 -0.83 0.41 0.00 0.00 173.24 171.93 1m42 s GLY 59 N -3.90 1.29 0.40 3.44 0.00 -1.26 -0.46 107.32 106.83 1m42 s GLY 59 Ca 0.08 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.14 1m42 s GLY 59 CO 0.04 -1.69 0.41 0.61 0.00 0.00 0.00 173.10 172.48 1m42 n GLY 60 N -0.30 -2.07 0.40 0.20 0.00 0.39 -4.78 105.19 99.03 1m42 n GLY 60 Ca -0.09 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1m42 n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1m42 h GLY 61 N -1.02 -0.57 -4.41 -0.02 0.00 -2.02 -3.38 103.07 91.64 1m42 h GLY 61 Ca -0.15 0.58 -0.54 0.00 0.00 0.00 0.00 47.33 47.22 1m42 h GLY 61 CO 0.10 -0.16 0.37 0.99 0.00 0.00 0.00 176.54 177.84 1m42 s ASP 62 N -5.11 7.37 0.00 0.19 1.11 -1.26 -4.93 116.67 114.04 1m42 s ASP 62 Ca -0.14 1.66 0.07 0.00 0.18 0.00 0.00 52.55 54.31 1m42 s ASP 62 Cb 0.12 -2.57 0.39 0.00 1.07 0.00 0.00 42.92 41.93 1m42 s ASP 62 CO 0.65 -0.26 0.89 -0.81 1.18 0.00 0.00 175.17 176.81 1m42 n PRO 63 N 3.91 0.19 0.05 8.23 -0.04 -1.26 -1.12 135.00 144.96 1m42 n PRO 63 Ca 0.06 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1m42 n PRO 63 Cb 0.51 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.95 1m42 n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1m42 n LYS 64 N -1.04 0.13 -3.70 0.54 2.85 -1.26 -4.68 118.16 111.01 1m42 n LYS 64 Ca 0.05 0.10 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 1m42 n LYS 64 Cb 0.03 -1.65 -0.11 0.00 -0.65 0.00 0.00 35.03 32.65 1m42 n LYS 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1m42 s THR 65 N -3.06 3.69 0.24 0.58 2.01 -0.28 -1.27 115.64 117.55 1m42 s THR 65 Ca 0.12 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.15 1m42 s THR 65 Cb 0.16 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 1m42 s THR 65 CO 0.58 -0.62 0.72 -0.32 -0.69 0.00 0.00 174.62 174.29 1m42 s MET 66 N 1.27 4.18 -0.22 4.92 1.75 0.42 -0.46 119.30 131.16 1m42 s MET 66 Ca 0.05 0.80 -0.04 0.00 -1.25 0.00 0.00 55.69 55.26 1m42 s MET 66 Cb -0.23 -2.78 0.08 0.00 2.84 0.00 0.00 34.83 34.74 1m42 s MET 66 CO -0.02 0.34 0.10 0.08 -0.65 0.00 0.00 175.02 174.87 1m42 s VAL 67 N -1.63 0.06 -0.19 10.11 1.01 0.40 -0.79 120.40 129.37 1m42 s VAL 67 Ca 0.45 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1m42 s VAL 67 Cb -0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1m42 s VAL 67 CO 0.20 -0.45 0.49 -0.63 0.00 0.00 0.00 175.10 174.71 1m42 s ILE 68 N 2.06 5.14 -0.24 2.22 1.09 0.52 -0.57 121.20 131.41 1m42 s ILE 68 Ca 0.04 0.90 -0.05 0.00 -1.10 0.00 0.00 60.65 60.45 1m42 s ILE 68 Cb -0.16 -3.81 -0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1m42 s ILE 68 CO -0.19 0.21 -0.00 0.42 -0.10 0.00 0.00 174.94 175.28 1m42 s THR 69 N 1.43 3.57 0.24 2.92 -4.23 0.33 -0.51 115.64 119.39 1m42 s THR 69 Ca 0.23 -0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 1m42 s THR 69 Cb -0.15 -2.70 -0.11 0.00 1.34 0.00 0.00 72.50 70.88 1m42 s THR 69 CO 0.09 0.31 1.53 -2.16 -0.54 0.00 0.00 174.62 173.85 1m42 s PRO 70 N 1.48 4.21 -0.06 3.99 0.04 -1.26 -0.41 135.00 142.99 1m42 s PRO 70 Ca 0.04 2.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 1m42 s PRO 70 Cb -0.15 -3.09 -0.28 0.00 0.04 0.00 0.00 34.50 31.02 1m42 s PRO 70 CO -0.01 -0.54 0.61 0.00 0.04 0.00 0.00 177.00 177.10 1m42 h ALA 71 N 5.48 0.34 -2.72 8.56 0.00 -1.27 -3.45 119.26 126.20 1m42 h ALA 71 Ca -0.45 -1.26 -0.57 0.00 0.00 0.00 0.00 54.91 52.64 1m42 h ALA 71 Cb 1.21 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1m42 h ALA 71 CO 0.82 1.21 0.00 0.45 0.00 0.00 0.00 179.25 181.74 1m42 s SER 72 N -7.01 7.06 0.06 0.00 0.15 -1.01 -5.02 113.70 107.93 1m42 s SER 72 Ca -0.15 1.26 -0.31 0.00 0.70 0.00 0.00 55.95 57.45 1m42 s SER 72 Cb 0.06 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.91 1m42 s SER 72 CO 0.82 0.18 1.76 -2.16 1.20 0.00 0.00 173.24 175.04 1m42 s PRO 73 N -0.68 4.17 -0.21 5.44 0.04 -1.26 -4.92 135.00 137.58 1m42 s PRO 73 Ca 0.31 2.43 -0.29 0.00 0.04 0.00 0.00 61.00 63.49 1m42 s PRO 73 Cb -0.19 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.59 1m42 s PRO 73 CO 0.19 -0.82 1.37 -0.51 0.04 0.00 0.00 177.00 177.27 1m42 s LEU 74 N 3.17 4.04 0.93 -3.56 1.43 -1.26 -5.01 118.68 118.41 1m42 s LEU 74 Ca 0.78 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 55.31 1m42 s LEU 74 Cb -0.41 -3.54 0.20 0.00 0.03 0.00 0.00 46.19 42.47 1m42 s LEU 74 CO 0.35 -0.97 1.27 0.28 0.23 0.00 0.00 176.35 177.51 1m42 s THR 75 N 4.14 2.01 0.60 5.49 -1.32 -1.26 -4.69 115.64 120.61 1m42 s THR 75 Ca 0.60 -0.13 -0.19 0.00 -1.21 0.00 0.00 61.69 60.75 1m42 s THR 75 Cb -0.21 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 67.85 1m42 s THR 75 CO 0.21 0.00 1.08 0.00 -2.21 0.00 0.00 174.62 173.70 1m42 n ALA 76 N -3.62 0.53 0.00 11.08 0.00 -1.26 -4.75 120.51 122.49 1m42 n ALA 76 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1m42 n ALA 76 Cb 0.60 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1m42 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m42 n GLY 77 N 1.15 0.22 3.02 0.00 0.00 0.26 -4.93 105.19 104.92 1m42 n GLY 77 Ca 0.14 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1m42 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m42 s THR 78 N -4.00 0.04 -0.12 2.61 2.01 -1.26 -1.02 115.64 113.90 1m42 s THR 78 Ca 0.00 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1m42 s THR 78 Cb 0.00 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.29 1m42 s THR 78 CO 0.00 -0.18 0.39 -0.31 -0.69 0.00 0.00 174.62 173.83 1m42 s TYR 79 N -0.57 -0.39 -0.12 4.92 1.51 -0.05 -1.54 117.35 121.11 1m42 s TYR 79 Ca -0.06 0.91 0.02 0.00 -1.01 0.00 0.00 57.07 56.92 1m42 s TYR 79 Cb -0.04 0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.97 1m42 s TYR 79 CO 0.00 -0.25 -0.16 0.21 -1.11 0.00 0.00 175.55 174.24 1m42 s LYS 80 N -0.12 2.32 -0.06 -0.62 2.20 0.16 -0.64 119.74 122.99 1m42 s LYS 80 Ca -0.03 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 1m42 s LYS 80 Cb -0.03 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.28 1m42 s LYS 80 CO 0.02 -0.08 0.88 0.08 -0.36 0.00 0.00 175.35 175.89 1m42 s VAL 81 N 1.02 4.91 -0.26 4.02 1.01 0.69 -0.60 120.40 131.20 1m42 s VAL 81 Ca -0.05 1.82 -0.07 0.00 0.00 0.00 0.00 61.98 63.68 1m42 s VAL 81 Cb -0.15 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1m42 s VAL 81 CO -0.03 0.15 0.06 -1.81 0.00 0.00 0.00 175.10 173.47 1m42 s ASP 82 N 0.98 5.00 0.09 3.32 1.01 0.15 -0.64 116.67 126.58 1m42 s ASP 82 Ca 0.45 -0.43 0.06 0.00 0.71 0.00 0.00 52.55 53.35 1m42 s ASP 82 Cb -0.19 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 1m42 s ASP 82 CO 0.22 -0.10 -0.09 -1.66 0.21 0.00 0.00 175.17 173.76 1m42 s TRP 83 N 1.55 2.78 -0.42 4.23 1.48 0.57 -0.67 118.94 128.46 1m42 s TRP 83 Ca 0.05 -0.13 0.03 0.00 -1.06 0.00 0.00 56.10 54.98 1m42 s TRP 83 Cb -0.16 -1.46 0.16 0.00 -1.16 0.00 0.00 33.47 30.85 1m42 s TRP 83 CO 0.02 0.43 0.31 1.03 -4.06 0.00 0.00 176.95 174.67 1m42 s ARG 84 N -2.14 0.96 0.18 3.25 0.52 0.65 -0.91 118.95 121.46 1m42 s ARG 84 Ca 0.21 -1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 53.26 1m42 s ARG 84 Cb -0.11 -1.62 -0.08 0.00 0.52 0.00 0.00 34.95 33.66 1m42 s ARG 84 CO 0.14 -1.31 0.67 0.00 0.02 0.00 0.00 175.30 174.81 1m42 s ALA 85 N 0.24 3.48 0.02 2.13 0.00 0.80 -1.35 121.76 127.08 1m42 s ALA 85 Ca 0.27 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1m42 s ALA 85 Cb -0.07 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.34 1m42 s ALA 85 CO -0.12 0.36 0.29 0.08 0.00 0.00 0.00 175.76 176.38 1m42 s VAL 86 N -1.44 0.07 0.53 0.00 1.01 -1.26 -0.45 120.40 118.86 1m42 s VAL 86 Ca 0.40 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1m42 s VAL 86 Cb -0.17 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.47 1m42 s VAL 86 CO 0.21 -0.34 0.59 -0.55 0.00 0.00 0.00 175.10 175.01 1m42 s SER 87 N -1.75 5.01 0.08 3.32 0.15 -1.25 -0.12 113.70 119.14 1m42 s SER 87 Ca -0.09 -0.91 -0.34 0.00 0.70 0.00 0.00 55.95 55.31 1m42 s SER 87 Cb -0.03 0.11 -0.17 0.00 -1.71 0.00 0.00 66.02 64.22 1m42 s SER 87 CO -0.00 -1.11 1.60 0.28 1.20 0.00 0.00 173.24 175.21 1m42 h SER 88 N 0.52 -0.99 0.74 5.45 0.02 -1.93 -3.38 113.55 113.98 1m42 h SER 88 Ca -0.35 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1m42 h SER 88 Cb 1.29 0.29 0.01 0.00 0.14 0.00 0.00 62.40 64.13 1m42 h SER 88 CO 0.49 -0.61 -0.36 0.44 -1.14 0.00 0.00 176.83 175.65 1m42 h ASP 89 N -0.97 -0.84 0.00 3.07 5.19 -2.00 -3.49 116.42 117.38 1m42 h ASP 89 Ca -0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1m42 h ASP 89 Cb 0.79 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1m42 h ASP 89 CO 0.07 -0.53 0.00 1.07 -3.12 0.00 0.00 179.24 176.74 1m42 n THR 90 N -5.47 0.00 -2.28 0.35 5.66 -1.26 -5.15 114.28 106.13 1m42 n THR 90 Ca -0.14 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.84 1m42 n THR 90 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1m42 n THR 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1m42 n HIS 91 N 2.46 -2.29 -1.12 1.09 -0.00 -1.26 -3.81 115.22 110.28 1m42 n HIS 91 Ca 0.00 0.97 -0.30 0.00 -0.00 0.00 0.00 57.72 58.39 1m42 n HIS 91 Cb 0.00 -3.07 0.14 0.00 -0.00 0.00 0.00 29.99 27.06 1m42 n HIS 91 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1m42 s PRO 92 N -1.51 1.34 -0.21 1.57 0.04 -1.26 -4.14 135.00 130.83 1m42 s PRO 92 Ca 0.08 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1m42 s PRO 92 Cb -0.02 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.76 1m42 s PRO 92 CO 0.47 -2.23 -0.06 0.96 0.04 0.00 0.00 177.00 176.18 1m42 s ILE 93 N -2.87 1.43 0.07 0.56 -4.36 0.40 -4.97 121.20 111.46 1m42 s ILE 93 Ca 0.63 -1.01 0.04 0.00 -0.26 0.00 0.00 60.65 60.05 1m42 s ILE 93 Cb -0.19 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1m42 s ILE 93 CO 0.57 0.02 0.01 0.28 0.24 0.00 0.00 174.94 176.06 1m42 s THR 94 N 1.46 4.10 0.10 8.37 -1.32 -1.26 -0.14 115.64 126.94 1m42 s THR 94 Ca -0.03 -0.89 -0.25 0.00 -1.21 0.00 0.00 61.69 59.31 1m42 s THR 94 Cb -0.17 -2.93 0.09 0.00 -1.51 0.00 0.00 72.50 67.97 1m42 s THR 94 CO -0.07 0.17 1.14 -0.83 -2.21 0.00 0.00 174.62 172.82 1m42 s GLY 95 N -2.17 -0.02 0.15 6.08 0.00 -0.09 -5.00 107.32 106.27 1m42 s GLY 95 Ca 0.25 -0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 1m42 s GLY 95 CO 0.17 3.38 0.49 -0.56 0.00 0.00 0.00 173.10 176.58 1m42 s SER 96 N -3.51 -0.33 -0.01 1.64 0.01 -1.26 -0.32 113.70 109.91 1m42 s SER 96 Ca 0.24 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1m42 s SER 96 Cb -0.01 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1m42 s SER 96 CO 0.02 -0.94 -0.05 -0.69 0.41 0.00 0.00 173.24 171.99 1m42 s VAL 97 N -3.81 0.42 0.06 3.43 1.01 0.19 -4.97 120.40 116.73 1m42 s VAL 97 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1m42 s VAL 97 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1m42 s VAL 97 CO -0.10 0.14 -0.09 0.28 0.00 0.00 0.00 175.10 175.33 1m42 s THR 98 N 0.17 3.43 0.16 3.92 -1.32 -1.26 -0.22 115.64 120.52 1m42 s THR 98 Ca -0.02 -1.07 -0.21 0.00 -1.21 0.00 0.00 61.69 59.18 1m42 s THR 98 Cb -0.06 -2.55 0.06 0.00 -1.51 0.00 0.00 72.50 68.44 1m42 s THR 98 CO -0.00 0.24 0.56 0.72 -2.21 0.00 0.00 174.62 173.93 1m42 s PHE 99 N -1.11 -0.41 -0.00 9.09 -0.71 0.19 -0.83 117.98 124.20 1m42 s PHE 99 Ca 0.19 0.15 0.07 0.00 -1.04 0.00 0.00 56.93 56.31 1m42 s PHE 99 Cb -0.11 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1m42 s PHE 99 CO 0.11 -0.85 -0.22 0.15 -1.34 0.00 0.00 175.22 173.07 1m42 s LYS 100 N -3.78 1.70 -0.21 1.99 1.02 0.21 -0.87 119.74 119.80 1m42 s LYS 100 Ca 0.03 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.18 1m42 s LYS 100 Cb -0.01 -1.69 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1m42 s LYS 100 CO -0.11 0.46 -0.13 0.08 -0.92 0.00 0.00 175.35 174.73 1m42 s VAL 101 N -0.58 2.54 -2.25 3.17 1.01 -0.19 -0.99 120.40 123.11 1m42 s VAL 101 Ca 0.08 -0.89 0.30 0.00 0.00 0.00 0.00 61.98 61.47 1m42 s VAL 101 Cb -0.09 -2.16 0.73 0.00 0.00 0.00 0.00 36.38 34.86 1m42 s VAL 101 CO -0.00 0.41 1.99 0.29 0.00 0.00 0.00 175.10 177.78