#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 1.41 3.41 3.03 0.00 -1.26 -4.91 105.19 106.87 2k5h n GLY 2 Ca 0.00 0.81 -0.45 0.00 0.00 0.00 0.00 46.02 46.39 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5h s SER 3 N 6.21 6.76 -0.82 1.61 0.01 -1.26 -4.98 113.70 121.23 2k5h s SER 3 Ca 0.95 -2.44 -0.24 0.00 1.31 0.00 0.00 55.95 55.53 2k5h s SER 3 Cb -0.44 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.52 2k5h s SER 3 CO 0.41 -0.83 1.24 -0.44 0.41 0.00 0.00 173.24 174.03 2k5h s SER 4 N 2.95 6.31 0.20 2.44 0.01 -1.26 -4.97 113.70 119.38 2k5h s SER 4 Ca 0.29 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.56 2k5h s SER 4 Cb -0.06 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2k5h s SER 4 CO -0.08 -1.57 -0.05 -1.38 0.41 0.00 0.00 173.24 170.56 2k5h s HIS 5 N 4.80 1.48 0.63 2.43 -0.00 -1.26 -5.16 115.29 118.21 2k5h s HIS 5 Ca 0.35 -0.82 -0.07 0.00 -0.00 0.00 0.00 55.06 54.52 2k5h s HIS 5 Cb -0.07 -0.81 0.14 0.00 -0.00 0.00 0.00 32.58 31.84 2k5h s HIS 5 CO 0.04 0.06 0.86 0.72 -0.00 0.00 0.00 174.74 176.42 2k5h n HIS 6 N -0.34 -3.62 -2.26 0.38 -0.00 -1.26 -4.99 115.22 103.14 2k5h n HIS 6 Ca -0.07 -1.02 -0.43 0.00 -0.00 0.00 0.00 57.72 56.20 2k5h n HIS 6 Cb 0.62 -0.65 -0.02 0.00 -0.00 0.00 0.00 29.99 29.94 2k5h n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5h s HIS 7 N -2.71 2.42 -0.28 4.41 5.65 -1.26 -4.97 115.29 118.55 2k5h s HIS 7 Ca 0.52 0.70 -0.25 0.00 0.25 0.00 0.00 55.06 56.28 2k5h s HIS 7 Cb -0.02 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2k5h s HIS 7 CO 0.35 -2.43 0.84 -1.58 -0.65 0.00 0.00 174.74 171.27 2k5h s HIS 8 N 4.45 3.24 0.28 3.88 2.46 -1.26 -5.05 115.29 123.29 2k5h s HIS 8 Ca 0.64 0.98 0.06 0.00 0.47 0.00 0.00 55.06 57.21 2k5h s HIS 8 Cb -0.23 -3.21 -0.03 0.00 -0.13 0.00 0.00 32.58 28.98 2k5h s HIS 8 CO 0.24 -0.53 0.31 -1.01 -2.47 0.00 0.00 174.74 171.28 2k5h s HIS 9 N 3.00 3.18 -0.36 3.88 4.02 -1.26 -5.09 115.29 122.65 2k5h s HIS 9 Ca 0.35 -0.13 -0.03 0.00 1.02 0.00 0.00 55.06 56.27 2k5h s HIS 9 Cb -0.14 -1.62 0.08 0.00 -1.02 0.00 0.00 32.58 29.88 2k5h s HIS 9 CO 0.11 0.35 0.12 -1.58 1.02 0.00 0.00 174.74 174.75 2k5h s HIS 10 N -2.12 3.44 -0.25 1.40 2.46 -1.26 -5.06 115.29 113.89 2k5h s HIS 10 Ca 0.37 -2.12 -0.34 0.00 0.47 0.00 0.00 55.06 53.44 2k5h s HIS 10 Cb -0.08 -2.71 -0.10 0.00 -0.13 0.00 0.00 32.58 29.56 2k5h s HIS 10 CO 0.27 -0.88 2.10 0.43 -2.47 0.00 0.00 174.74 174.20 2k5h n SER 11 N 4.62 2.73 -4.48 9.88 7.64 -1.26 -4.86 113.62 127.88 2k5h n SER 11 Ca -0.07 0.53 -0.43 0.00 1.01 0.00 0.00 58.87 59.90 2k5h n SER 11 Cb 0.42 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2k5h n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k5h s SER 12 N 6.61 6.73 -0.35 6.43 0.15 -1.26 -4.90 113.70 127.10 2k5h s SER 12 Ca 1.03 -2.20 0.01 0.00 0.70 0.00 0.00 55.95 55.49 2k5h s SER 12 Cb -0.70 -2.44 0.11 0.00 -1.71 0.00 0.00 66.02 61.28 2k5h s SER 12 CO 0.47 -1.07 0.14 -0.83 1.20 0.00 0.00 173.24 173.15 2k5h s GLY 13 N 3.71 1.37 -0.80 9.45 0.00 -1.26 -5.08 107.32 114.72 2k5h s GLY 13 Ca 0.39 -2.07 -0.19 0.00 0.00 0.00 0.00 44.72 42.85 2k5h s GLY 13 CO -0.06 1.51 0.95 0.50 0.00 0.00 0.00 173.10 176.00 2k5h s ARG 14 N 1.13 3.40 -0.63 2.90 0.52 -1.26 -4.98 118.95 120.03 2k5h s ARG 14 Ca 0.12 -1.63 -0.28 0.00 -0.52 0.00 0.00 55.73 53.43 2k5h s ARG 14 Cb -0.20 -4.59 0.02 0.00 0.52 0.00 0.00 34.95 30.70 2k5h s ARG 14 CO -0.15 -1.65 1.32 -2.00 0.02 0.00 0.00 175.30 172.84 2k5h s GLU 15 N 2.50 3.30 -0.23 3.54 -6.30 -1.26 -4.93 118.70 115.33 2k5h s GLU 15 Ca 0.24 0.18 -0.04 0.00 -2.50 0.00 0.00 54.97 52.85 2k5h s GLU 15 Cb -0.12 -4.12 0.12 0.00 0.00 0.00 0.00 34.13 30.01 2k5h s GLU 15 CO -0.03 -1.96 0.39 1.21 0.02 0.00 0.00 175.26 174.89 2k5h s ASN 16 N 3.92 0.07 -0.57 -1.70 2.47 -1.26 -4.94 114.94 112.92 2k5h s ASN 16 Ca 0.45 0.48 -0.02 0.00 0.42 0.00 0.00 52.86 54.18 2k5h s ASN 16 Cb -0.09 1.19 -0.03 0.00 -1.45 0.00 0.00 41.25 40.88 2k5h s ASN 16 CO 0.22 -0.28 0.51 0.18 -3.72 0.00 0.00 177.10 174.01 2k5h n LEU 17 N 5.37 -4.51 -4.94 3.21 4.77 -1.26 -5.05 117.00 114.59 2k5h n LEU 17 Ca -0.05 -0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 2k5h n LEU 17 Cb 0.50 -2.27 0.07 0.00 -2.33 0.00 0.00 43.42 39.39 2k5h n LEU 17 CO 0.04 -0.22 0.59 -0.47 -1.33 0.00 0.00 177.39 176.00 2k5h s TYR 18 N -3.15 2.78 -0.03 -1.77 5.04 -1.26 -5.07 117.35 113.90 2k5h s TYR 18 Ca 0.18 0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 54.98 2k5h s TYR 18 Cb -0.02 -3.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 2k5h s TYR 18 CO 0.46 -1.40 0.44 -0.59 -1.34 0.00 0.00 175.55 173.12 2k5h s PHE 19 N -3.20 3.68 -0.15 4.97 -0.71 -1.26 -4.99 117.98 116.32 2k5h s PHE 19 Ca 0.61 0.99 -0.05 0.00 -1.04 0.00 0.00 56.93 57.43 2k5h s PHE 19 Cb -0.10 -2.38 -0.24 0.00 -1.21 0.00 0.00 43.02 39.09 2k5h s PHE 19 CO 0.44 0.50 0.23 0.94 -1.34 0.00 0.00 175.22 176.00 2k5h n GLN 20 N 2.33 0.73 -3.58 1.99 -0.06 -1.26 -5.09 117.38 112.43 2k5h n GLN 20 Ca -0.12 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 2k5h n GLN 20 Cb 0.52 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 2k5h n GLN 20 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k5h n GLY 21 N 2.03 -1.05 2.72 1.69 0.00 -1.26 -5.11 105.19 104.20 2k5h n GLY 21 Ca -0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 2k5h n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5h n HIS 22 N 5.25 -3.99 -2.40 1.61 -0.00 -1.26 -4.81 115.22 109.62 2k5h n HIS 22 Ca 0.00 1.86 -0.39 0.00 0.46 0.00 0.00 57.72 59.66 2k5h n HIS 22 Cb 0.00 -3.93 -0.03 0.00 -0.12 0.00 0.00 29.99 25.90 2k5h n HIS 22 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2k5h s MET 23 N -1.47 3.13 0.00 1.57 -1.94 -1.26 -4.73 119.30 114.61 2k5h s MET 23 Ca -0.04 -0.39 0.19 0.00 -1.71 0.00 0.00 55.69 53.73 2k5h s MET 23 Cb 0.00 -4.72 0.52 0.00 2.01 0.00 0.00 34.83 32.64 2k5h s MET 23 CO 0.77 -2.44 1.43 0.00 -0.01 0.00 0.00 175.02 174.77 2k5h n ALA 24 N 10.44 2.43 -2.12 3.03 0.00 -1.26 -4.95 120.51 128.07 2k5h n ALA 24 Ca 0.21 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.43 2k5h n ALA 24 Cb 0.50 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 2k5h n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5h s ALA 25 N -1.36 3.29 -0.47 0.00 0.00 -1.26 -4.98 121.76 116.97 2k5h s ALA 25 Ca 0.37 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 52.18 2k5h s ALA 25 Cb 0.20 -2.78 0.68 0.00 0.00 0.00 0.00 23.12 21.22 2k5h s ALA 25 CO 0.27 -0.41 1.59 2.89 0.00 0.00 0.00 175.76 180.10 2k5h n ARG 26 N -2.27 3.89 -2.44 0.00 1.85 -1.26 -4.97 116.66 111.47 2k5h n ARG 26 Ca 0.03 -2.93 -0.42 0.00 -1.00 0.00 0.00 57.85 53.52 2k5h n ARG 26 Cb 0.55 -1.99 -0.03 0.00 -1.05 0.00 0.00 32.46 29.94 2k5h n ARG 26 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2k5h s ILE 27 N -2.47 4.22 -0.64 8.89 -1.09 -1.26 -4.96 121.20 123.90 2k5h s ILE 27 Ca 0.48 1.54 -0.27 0.00 -2.23 0.00 0.00 60.65 60.17 2k5h s ILE 27 Cb 0.35 -3.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2k5h s ILE 27 CO 0.16 -0.01 1.39 0.42 -1.23 0.00 0.00 174.94 175.67 2k5h s THR 28 N 2.32 3.73 -3.63 2.92 -4.23 -1.26 -4.84 115.64 110.66 2k5h s THR 28 Ca 0.56 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 2k5h s THR 28 Cb -0.25 -4.59 0.00 0.00 1.34 0.00 0.00 72.50 69.00 2k5h s THR 28 CO 0.22 -1.42 0.00 0.61 -0.54 0.00 0.00 174.62 173.49 2k5h n GLY 29 N 5.34 -1.95 3.19 3.99 0.00 -1.26 -5.17 105.19 109.32 2k5h n GLY 29 Ca 0.09 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2k5h n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5h s GLU 30 N -1.75 0.48 0.21 1.61 -1.05 -1.26 -5.14 118.70 111.80 2k5h s GLU 30 Ca 0.00 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.58 2k5h s GLU 30 Cb 0.00 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 2k5h s GLU 30 CO 0.00 -0.10 1.38 -2.14 0.95 0.00 0.00 175.26 175.35 2k5h s PRO 31 N -0.63 4.32 0.02 -4.83 0.02 -1.26 -4.94 135.00 127.70 2k5h s PRO 31 Ca -0.07 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 2k5h s PRO 31 Cb -0.04 -3.16 -0.28 0.00 0.02 0.00 0.00 34.50 31.04 2k5h s PRO 31 CO 0.02 -0.36 0.90 0.77 -0.33 0.00 0.00 177.00 178.01 2k5h h SER 32 N 5.43 0.38 -3.51 2.53 0.02 -2.07 -3.50 113.55 112.83 2k5h h SER 32 Ca -0.45 -0.51 0.29 0.00 -0.84 0.00 0.00 61.79 60.29 2k5h h SER 32 Cb 1.21 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 2k5h h SER 32 CO 0.79 1.42 -0.51 0.29 -1.14 0.00 0.00 176.83 177.68 2k5h n LYS 33 N -3.45 -2.27 -2.78 3.45 5.02 -1.26 -4.49 118.16 112.37 2k5h n LYS 33 Ca -0.15 1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 57.29 2k5h n LYS 33 Cb 1.04 -2.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 2k5h n LYS 33 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k5h s LYS 34 N -2.32 3.45 -0.54 1.97 2.20 -1.26 -4.98 119.74 118.27 2k5h s LYS 34 Ca 0.00 -1.25 -0.20 0.00 -0.36 0.00 0.00 55.97 54.16 2k5h s LYS 34 Cb 0.00 -4.82 0.06 0.00 -1.51 0.00 0.00 37.83 31.57 2k5h s LYS 34 CO 0.00 -1.93 0.71 0.00 -0.36 0.00 0.00 175.35 173.77 2k5h s ALA 35 N 3.88 3.34 -0.31 3.13 0.00 -1.26 -5.02 121.76 125.52 2k5h s ALA 35 Ca 0.34 -1.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.29 2k5h s ALA 35 Cb -0.06 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2k5h s ALA 35 CO -0.03 -2.18 0.91 0.08 0.00 0.00 0.00 175.76 174.55 2k5h s VAL 36 N 2.94 4.67 -0.25 0.00 1.01 -1.26 -4.99 120.40 122.52 2k5h s VAL 36 Ca 0.17 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2k5h s VAL 36 Cb -0.19 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.02 2k5h s VAL 36 CO 0.12 -0.35 0.15 -0.44 0.00 0.00 0.00 175.10 174.58 2k5h s SER 37 N 1.62 2.75 -0.67 3.32 0.01 -1.26 -4.98 113.70 114.48 2k5h s SER 37 Ca 0.38 -0.92 -0.12 0.00 1.31 0.00 0.00 55.95 56.60 2k5h s SER 37 Cb -0.13 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 65.97 2k5h s SER 37 CO 0.13 -0.40 0.64 -0.67 0.41 0.00 0.00 173.24 173.36 2k5h n ASP 38 N 5.27 -5.86 0.00 2.44 2.03 -1.26 -4.91 116.55 114.26 2k5h n ASP 38 Ca -0.06 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.81 2k5h n ASP 38 Cb 0.45 -2.69 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 2k5h n ASP 38 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2k5h n ARG 39 N -1.60 4.69 0.00 -0.67 0.63 -1.26 -4.86 116.66 113.59 2k5h n ARG 39 Ca -0.16 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.89 2k5h n ARG 39 Cb 0.63 -0.39 0.20 0.00 0.45 0.00 0.00 32.46 33.36 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2k5h n LEU 40 N 0.00 2.28 -4.63 6.15 4.77 -1.26 -4.89 117.00 119.42 2k5h n LEU 40 Ca 0.00 -0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 2k5h n LEU 40 Cb 0.00 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2k5h n LEU 40 CO 0.00 0.39 1.37 -0.63 -1.33 0.00 0.00 177.39 177.19 2k5h s ILE 41 N -2.14 3.68 0.00 -0.08 -1.09 -1.26 -1.85 121.20 118.45 2k5h s ILE 41 Ca 0.28 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 2k5h s ILE 41 Cb 0.20 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2k5h s ILE 41 CO 0.38 -0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 2k5h n GLY 42 N 4.57 0.34 3.81 6.18 0.00 -0.35 -5.03 105.19 114.72 2k5h n GLY 42 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.95 3.28 0.17 1.61 1.81 -0.77 -4.74 118.95 119.36 2k5h s ARG 43 Ca 0.00 1.10 -0.03 0.00 -1.72 0.00 0.00 55.73 55.08 2k5h s ARG 43 Cb 0.00 -2.03 -0.05 0.00 -0.45 0.00 0.00 34.95 32.42 2k5h s ARG 43 CO 0.00 -0.83 0.38 0.15 -0.68 0.00 0.00 175.30 174.32 2k5h s LYS 44 N -4.37 3.56 0.23 3.54 1.02 -1.26 -0.60 119.74 121.86 2k5h s LYS 44 Ca 0.61 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.31 2k5h s LYS 44 Cb -0.15 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2k5h s LYS 44 CO 0.42 0.44 0.32 0.20 -0.92 0.00 0.00 175.35 175.80 2k5h s GLY 45 N -2.81 1.01 0.04 -3.33 0.00 0.11 -4.22 107.32 98.12 2k5h s GLY 45 Ca 0.40 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.90 2k5h s GLY 45 CO 0.27 -1.00 -0.23 0.54 0.00 0.00 0.00 173.10 172.68 2k5h s VAL 46 N -4.03 1.84 -0.40 1.40 0.11 -0.95 -0.44 120.40 117.94 2k5h s VAL 46 Ca 0.30 -1.23 -0.25 0.00 -2.93 0.00 0.00 61.98 57.87 2k5h s VAL 46 Cb 0.03 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 2k5h s VAL 46 CO 0.11 0.30 0.91 -0.69 -3.33 0.00 0.00 175.10 172.40 2k5h s VAL 47 N -0.76 4.56 -0.17 2.04 1.01 -0.37 -1.02 120.40 125.70 2k5h s VAL 47 Ca 0.09 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.18 2k5h s VAL 47 Cb -0.09 -4.35 -0.23 0.00 0.00 0.00 0.00 36.38 31.71 2k5h s VAL 47 CO 0.02 -0.62 0.18 0.23 0.00 0.00 0.00 175.10 174.90 2k5h n MET 48 N 6.87 0.68 -5.03 2.72 2.81 0.38 -1.20 117.12 124.35 2k5h n MET 48 Ca 0.06 0.14 -0.29 0.00 -1.81 0.00 0.00 57.70 55.81 2k5h n MET 48 Cb 0.48 -1.61 -0.17 0.00 -0.71 0.00 0.00 33.22 31.21 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.53 2.35 0.26 0.03 2.56 -0.03 -4.89 118.70 116.45 2k5h s GLU 49 Ca -0.17 -0.74 -0.31 0.00 0.00 0.00 0.00 54.97 53.75 2k5h s GLU 49 Cb 0.07 -1.92 -0.12 0.00 2.00 0.00 0.00 34.13 34.16 2k5h s GLU 49 CO 0.76 0.23 1.56 0.00 -0.56 0.00 0.00 175.26 177.25 2k5h n ALA 50 N 3.30 2.12 -2.63 6.30 0.00 -1.26 -2.50 120.51 125.83 2k5h n ALA 50 Ca -0.19 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2k5h n ALA 50 Cb 0.52 -2.41 -0.12 0.00 0.00 0.00 0.00 19.45 17.44 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N 0.15 3.52 0.29 0.00 1.01 0.88 -4.15 121.20 122.89 2k5h s ILE 51 Ca 0.67 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2k5h s ILE 51 Cb -0.55 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 2k5h s ILE 51 CO 0.47 0.58 -0.03 -0.94 0.00 0.00 0.00 174.94 175.02 2k5h s SER 52 N -0.59 2.63 0.00 3.58 1.04 -0.10 0.31 113.70 120.57 2k5h s SER 52 Ca 0.09 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2k5h s SER 52 Cb -0.12 -0.14 0.29 0.00 0.10 0.00 0.00 66.02 66.15 2k5h s SER 52 CO 0.02 -0.41 0.70 -2.65 0.98 0.00 0.00 173.24 171.88 2k5h n PRO 53 N -0.59 0.19 0.01 4.02 -0.02 -1.24 -3.47 135.00 133.90 2k5h n PRO 53 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2k5h n PRO 53 Cb 0.64 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2k5h n PRO 53 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k5h n GLN 54 N -0.90 0.00 -3.72 -0.52 7.27 -1.26 -4.86 117.38 113.38 2k5h n GLN 54 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.75 2k5h n GLN 54 Cb 0.02 -0.23 -0.07 0.00 2.41 0.00 0.00 30.24 32.36 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k5h s ASN 55 N -5.06 6.29 0.81 1.69 2.47 -1.23 -5.08 114.94 114.83 2k5h s ASN 55 Ca 0.00 0.34 -0.11 0.00 0.42 0.00 0.00 52.86 53.50 2k5h s ASN 55 Cb 0.00 -2.11 0.08 0.00 -1.45 0.00 0.00 41.25 37.77 2k5h s ASN 55 CO 0.00 0.21 1.10 -0.44 -3.72 0.00 0.00 177.10 174.25 2k5h s SER 56 N 0.09 4.35 0.00 -4.21 0.01 -1.26 -0.92 113.70 111.76 2k5h s SER 56 Ca 0.11 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2k5h s SER 56 Cb -0.12 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2k5h s SER 56 CO 0.00 -2.06 0.00 0.61 0.41 0.00 0.00 173.24 172.20 2k5h n GLY 57 N -1.98 5.41 3.01 3.44 0.00 -0.21 -4.74 105.19 110.11 2k5h n GLY 57 Ca 0.07 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 2k5h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5h s LEU 58 N 0.00 1.64 0.16 0.99 1.43 -1.04 -0.58 118.68 121.27 2k5h s LEU 58 Ca 0.00 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2k5h s LEU 58 Cb 0.00 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2k5h s LEU 58 CO 0.00 0.03 -0.18 0.68 0.23 0.00 0.00 176.35 177.12 2k5h s VAL 59 N 0.57 1.75 -0.25 -1.59 -7.23 -0.52 -0.47 120.40 112.65 2k5h s VAL 59 Ca -0.11 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2k5h s VAL 59 Cb -0.14 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2k5h s VAL 59 CO 0.02 -0.31 0.08 -0.75 -0.31 0.00 0.00 175.10 173.83 2k5h s LYS 60 N -2.73 3.62 -0.15 4.82 2.20 -0.19 0.01 119.74 127.33 2k5h s LYS 60 Ca 0.14 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.27 2k5h s LYS 60 Cb -0.06 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2k5h s LYS 60 CO 0.06 -0.21 -0.19 0.08 -0.36 0.00 0.00 175.35 174.73 2k5h s VAL 61 N 1.61 1.87 0.00 4.02 1.01 0.12 -2.23 120.40 126.80 2k5h s VAL 61 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k5h s VAL 61 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2k5h s VAL 61 CO 0.04 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 174.98 2k5h n ASP 62 N 4.38 0.00 0.00 3.32 -0.08 -1.26 -1.96 116.55 120.95 2k5h n ASP 62 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2k5h n ASP 62 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k5h n GLY 63 N 0.00 1.00 3.27 0.27 0.00 -1.26 -5.11 105.19 103.36 2k5h n GLY 63 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N 0.00 1.10 -0.13 1.61 2.02 -0.83 -5.14 118.70 117.34 2k5h s GLU 64 Ca 0.00 -1.29 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 2k5h s GLU 64 Cb 0.00 -1.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 2k5h s GLU 64 CO 0.00 0.20 0.22 -0.08 0.02 0.00 0.00 175.26 175.63 2k5h s THR 65 N -2.09 5.35 0.25 3.63 -1.32 -1.26 0.13 115.64 120.34 2k5h s THR 65 Ca 0.11 0.40 0.05 0.00 -1.21 0.00 0.00 61.69 61.04 2k5h s THR 65 Cb -0.05 -3.53 -0.05 0.00 -1.51 0.00 0.00 72.50 67.35 2k5h s THR 65 CO 0.04 0.51 -0.04 0.26 -2.21 0.00 0.00 174.62 173.18 2k5h s TRP 66 N -0.34 1.75 0.22 9.09 0.52 0.10 -4.95 118.94 125.32 2k5h s TRP 66 Ca 0.15 -0.79 -0.30 0.00 0.02 0.00 0.00 56.10 55.19 2k5h s TRP 66 Cb -0.13 -0.99 -0.08 0.00 -1.15 0.00 0.00 33.47 31.12 2k5h s TRP 66 CO 0.04 0.14 1.00 1.03 0.02 0.00 0.00 176.95 179.19 2k5h s ARG 67 N -3.78 4.74 0.02 4.98 3.00 -1.26 -1.44 118.95 125.21 2k5h s ARG 67 Ca 0.28 1.59 0.04 0.00 0.00 0.00 0.00 55.73 57.64 2k5h s ARG 67 Cb 0.04 -3.28 -0.02 0.00 0.00 0.00 0.00 34.95 31.70 2k5h s ARG 67 CO 0.10 0.33 -0.12 0.00 0.00 0.00 0.00 175.30 175.61 2k5h s ALA 68 N -0.82 0.95 0.09 2.13 0.00 0.25 0.23 121.76 124.60 2k5h s ALA 68 Ca 0.44 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2k5h s ALA 68 Cb -0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2k5h s ALA 68 CO 0.34 0.18 -0.20 0.99 0.00 0.00 0.00 175.76 177.07 2k5h s THR 69 N -0.68 1.61 -0.07 0.00 2.01 -0.20 -1.05 115.64 117.27 2k5h s THR 69 Ca 0.01 -1.46 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 2k5h s THR 69 Cb -0.07 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 71.03 2k5h s THR 69 CO 0.01 -0.05 0.54 -0.44 -0.69 0.00 0.00 174.62 173.99 2k5h s SER 70 N -1.78 -0.49 0.00 3.53 0.01 -1.26 -2.56 113.70 111.14 2k5h s SER 70 Ca 0.05 0.59 0.12 0.00 1.31 0.00 0.00 55.95 58.02 2k5h s SER 70 Cb -0.10 0.57 0.45 0.00 0.21 0.00 0.00 66.02 67.16 2k5h s SER 70 CO 0.04 -0.48 1.33 0.61 0.41 0.00 0.00 173.24 175.14 2k5h n GLY 71 N 1.35 0.00 3.37 3.44 0.00 -1.26 -3.86 105.19 108.23 2k5h n GLY 71 Ca -0.19 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 2k5h n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5h s THR 72 N -1.75 0.89 -0.14 2.61 2.01 -1.26 -4.60 115.64 113.40 2k5h s THR 72 Ca 0.21 -2.01 -0.23 0.00 0.31 0.00 0.00 61.69 59.98 2k5h s THR 72 Cb 0.11 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2k5h s THR 72 CO 0.16 -0.06 0.69 0.54 -0.69 0.00 0.00 174.62 175.25 2k5h s VAL 73 N -3.52 5.01 -0.16 3.82 0.11 -1.26 -3.59 120.40 120.81 2k5h s VAL 73 Ca 0.36 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 2k5h s VAL 73 Cb 0.08 -4.01 0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2k5h s VAL 73 CO 0.13 0.15 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.19 2k5h s LEU 74 N 1.51 1.77 0.77 2.54 1.43 0.15 -4.99 118.68 121.85 2k5h s LEU 74 Ca 0.34 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2k5h s LEU 74 Cb -0.17 -1.10 0.14 0.00 0.03 0.00 0.00 46.19 45.09 2k5h s LEU 74 CO 0.13 -0.11 1.06 -0.62 0.23 0.00 0.00 176.35 177.04 2k5h s ASP 75 N 1.52 4.14 0.04 2.29 -1.08 -1.26 -0.09 116.67 122.23 2k5h s ASP 75 Ca 0.03 -0.16 -0.30 0.00 -0.52 0.00 0.00 52.55 51.59 2k5h s ASP 75 Cb -0.14 -0.18 -0.05 0.00 -1.46 0.00 0.00 42.92 41.09 2k5h s ASP 75 CO -0.09 -2.01 1.20 -0.69 0.52 0.00 0.00 175.17 174.10 2k5h s VAL 76 N -3.30 4.08 0.00 1.11 1.01 -1.26 -2.83 120.40 119.21 2k5h s VAL 76 Ca 0.67 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2k5h s VAL 76 Cb -0.05 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k5h s VAL 76 CO 0.46 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2k5h n GLY 77 N 3.25 0.70 3.66 4.51 0.00 -0.34 -5.02 105.19 111.94 2k5h n GLY 77 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.63 -0.02 -0.07 1.61 0.41 -1.13 -4.73 118.70 114.14 2k5h s GLU 78 Ca 0.00 0.36 0.05 0.00 -0.41 0.00 0.00 54.97 54.97 2k5h s GLU 78 Cb 0.00 -1.70 -0.01 0.00 -1.78 0.00 0.00 34.13 30.64 2k5h s GLU 78 CO 0.00 -3.00 -0.24 -1.21 -0.49 0.00 0.00 175.26 170.32 2k5h s GLU 79 N -5.07 2.60 0.20 1.61 2.02 -1.26 -1.23 118.70 117.57 2k5h s GLU 79 Ca 0.67 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.89 2k5h s GLU 79 Cb -0.17 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2k5h s GLU 79 CO 0.57 0.32 -0.20 0.14 0.02 0.00 0.00 175.26 176.11 2k5h s VAL 80 N -0.01 2.10 -0.12 2.63 -7.23 0.42 -1.45 120.40 116.73 2k5h s VAL 80 Ca -0.07 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2k5h s VAL 80 Cb -0.15 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2k5h s VAL 80 CO 0.05 -0.30 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.83 2k5h s SER 81 N -2.88 3.75 -0.48 4.85 0.15 -0.17 0.06 113.70 118.98 2k5h s SER 81 Ca 0.20 -0.39 -0.27 0.00 0.70 0.00 0.00 55.95 56.19 2k5h s SER 81 Cb -0.06 -1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 62.70 2k5h s SER 81 CO 0.09 0.17 1.80 -0.69 1.20 0.00 0.00 173.24 175.81 2k5h s VAL 82 N 0.31 3.45 0.00 4.45 1.01 0.23 -1.57 120.40 128.29 2k5h s VAL 82 Ca -0.13 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 2k5h s VAL 82 Cb -0.16 -3.84 -0.31 0.00 0.00 0.00 0.00 36.38 32.06 2k5h s VAL 82 CO 0.06 -0.69 0.99 0.50 0.00 0.00 0.00 175.10 175.97 2k5h h LYS 83 N 13.77 0.45 -2.76 2.72 3.64 -1.05 -0.91 116.57 132.45 2k5h h LYS 83 Ca -0.29 -0.70 0.10 0.00 -1.27 0.00 0.00 60.65 58.49 2k5h h LYS 83 Cb 1.16 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.18 2k5h h LYS 83 CO 1.13 1.32 0.34 0.00 -2.27 0.00 0.00 179.45 179.97 2k5h s ALA 84 N -2.69 -1.31 -0.09 5.00 0.00 -0.44 -4.80 121.76 117.43 2k5h s ALA 84 Ca -0.11 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2k5h s ALA 84 Cb 0.03 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 2k5h s ALA 84 CO 0.89 -1.04 -0.20 0.42 0.00 0.00 0.00 175.76 175.83 2k5h s ILE 85 N -3.36 2.44 -0.28 0.00 1.01 -1.26 -0.26 121.20 119.49 2k5h s ILE 85 Ca 0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2k5h s ILE 85 Cb -0.04 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.56 2k5h s ILE 85 CO 0.06 0.55 0.08 -0.70 0.00 0.00 0.00 174.94 174.93 2k5h s GLU 86 N 0.13 0.71 7.13 2.79 2.12 0.26 -4.90 118.70 126.93 2k5h s GLU 86 Ca -0.10 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.33 2k5h s GLU 86 Cb -0.16 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2k5h s GLU 86 CO 0.06 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 2k5h n GLY 87 N 4.91 2.71 0.92 -1.50 0.00 -1.26 -0.95 105.19 110.01 2k5h n GLY 87 Ca -0.04 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2k5h n GLY 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k5h n VAL 88 N 0.00 1.11 -4.39 1.61 3.14 -1.26 -4.97 118.33 113.57 2k5h n VAL 88 Ca 0.00 -1.06 -0.24 0.00 -2.96 0.00 0.00 64.34 60.08 2k5h n VAL 88 Cb 0.00 0.44 -0.09 0.00 -1.06 0.00 0.00 33.84 33.13 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k5h s LYS 89 N -1.14 1.97 0.01 1.45 1.02 -0.13 -4.42 119.74 118.51 2k5h s LYS 89 Ca 0.33 -1.71 0.03 0.00 0.02 0.00 0.00 55.97 54.65 2k5h s LYS 89 Cb 0.18 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 2k5h s LYS 89 CO 0.21 0.24 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.32 2k5h s LEU 90 N -3.63 3.26 -0.39 3.17 1.43 0.14 -0.58 118.68 122.07 2k5h s LEU 90 Ca 0.32 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 2k5h s LEU 90 Cb -0.03 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2k5h s LEU 90 CO 0.18 0.27 0.25 -0.69 0.23 0.00 0.00 176.35 176.59 2k5h s VAL 91 N -1.05 4.88 0.17 -1.59 1.01 0.64 -1.03 120.40 123.44 2k5h s VAL 91 Ca 0.18 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2k5h s VAL 91 Cb -0.11 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2k5h s VAL 91 CO 0.09 -0.29 -0.22 0.68 0.00 0.00 0.00 175.10 175.36 2k5h s VAL 92 N 1.61 2.12 0.31 2.92 -7.23 -1.06 -0.38 120.40 118.69 2k5h s VAL 92 Ca 0.03 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2k5h s VAL 92 Cb -0.19 -1.98 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 2k5h s VAL 92 CO 0.08 -0.16 -0.12 -1.83 -0.31 0.00 0.00 175.10 172.75 2k5h s GLU 93 N -2.61 1.82 -0.00 4.82 -1.05 -0.61 -4.55 118.70 116.52 2k5h s GLU 93 Ca 0.17 -1.82 -0.28 0.00 -0.15 0.00 0.00 54.97 52.90 2k5h s GLU 93 Cb -0.08 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 2k5h s GLU 93 CO 0.08 0.23 0.88 0.21 0.95 0.00 0.00 175.26 177.61 2k5h s LYS 94 N -3.58 4.53 0.16 -4.83 2.20 -1.26 -1.00 119.74 115.95 2k5h s LYS 94 Ca 0.32 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 57.18 2k5h s LYS 94 Cb -0.01 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2k5h s LYS 94 CO 0.16 0.04 0.30 -1.17 -0.36 0.00 0.00 175.35 174.32 2k5h s LEU 95 N 0.74 4.33 -0.24 5.43 1.98 -0.53 -4.87 118.68 125.53 2k5h s LEU 95 Ca 0.46 0.19 -0.20 0.00 -2.89 0.00 0.00 54.13 51.69 2k5h s LEU 95 Cb -0.20 -2.93 -0.02 0.00 0.66 0.00 0.00 46.19 43.69 2k5h s LEU 95 CO 0.25 0.04 0.62 -0.70 -1.89 0.00 0.00 176.35 174.67 2k5h s GLU 96 N -3.26 4.14 -0.26 1.98 2.12 -1.26 -4.63 118.70 117.53 2k5h s GLU 96 Ca 0.35 0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.93 2k5h s GLU 96 Cb -0.11 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.57 2k5h s GLU 96 CO 0.29 -0.35 2.18 -0.85 -0.54 0.00 0.00 175.26 175.99 2k5h n GLU 97 N 5.49 1.62 -2.34 4.30 0.00 -1.26 -4.83 120.64 123.62 2k5h n GLU 97 Ca -0.01 0.46 -0.43 0.00 0.00 0.00 0.00 57.16 57.18 2k5h n GLU 97 Cb 0.49 -2.88 0.00 0.00 0.00 0.00 0.00 31.44 29.06 2k5h n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k5h n GLN 98 N 8.37 3.14 -2.08 3.44 0.00 -1.26 -4.86 117.38 124.13 2k5h n GLN 98 Ca 0.34 -3.15 -0.42 0.00 0.00 0.00 0.00 57.00 53.77 2k5h n GLN 98 Cb 0.35 -3.35 0.00 0.00 0.00 0.00 0.00 30.24 27.24 2k5h n GLN 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2k5h n LYS 99 N 7.11 3.09 0.00 2.61 5.02 -1.26 -4.50 118.16 130.23 2k5h n LYS 99 Ca 0.48 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2k5h n LYS 99 Cb 0.43 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5h n GLY 100 N 4.13 0.12 0.54 0.72 0.00 -1.26 -5.32 105.19 104.11 2k5h n GLY 100 Ca 0.48 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.57 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76