#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 -0.50 2.89 3.03 0.00 -1.26 -5.11 105.19 104.24 2k5h n GLY 2 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 0.59 -0.97 1.61 0.01 -1.26 -5.10 113.70 104.58 2k5h s SER 3 Ca 0.00 0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.25 2k5h s SER 3 Cb 0.00 0.86 0.17 0.00 0.21 0.00 0.00 66.02 67.26 2k5h s SER 3 CO 0.00 -0.30 1.09 -0.94 0.41 0.00 0.00 173.24 173.50 2k5h s SER 4 N 2.47 6.81 -0.32 2.44 1.04 -1.26 -4.91 113.70 119.97 2k5h s SER 4 Ca 0.09 -2.51 -0.01 0.00 0.48 0.00 0.00 55.95 54.00 2k5h s SER 4 Cb -0.15 -2.34 0.11 0.00 0.10 0.00 0.00 66.02 63.74 2k5h s SER 4 CO -0.14 -0.82 0.12 -1.00 0.98 0.00 0.00 173.24 172.39 2k5h s HIS 5 N 1.52 1.40 -0.22 5.02 0.09 -1.26 -5.12 115.29 116.72 2k5h s HIS 5 Ca 0.31 -1.62 -0.13 0.00 -0.00 0.00 0.00 55.06 53.61 2k5h s HIS 5 Cb -0.06 -1.53 -0.04 0.00 -0.00 0.00 0.00 32.58 30.95 2k5h s HIS 5 CO -0.08 -0.86 0.28 -1.01 -0.00 0.00 0.00 174.74 173.08 2k5h s HIS 6 N 1.57 3.34 -0.36 1.40 4.02 -1.26 -5.03 115.29 118.97 2k5h s HIS 6 Ca 0.11 0.42 0.00 0.00 1.02 0.00 0.00 55.06 56.61 2k5h s HIS 6 Cb -0.18 -2.41 0.14 0.00 -1.02 0.00 0.00 32.58 29.11 2k5h s HIS 6 CO -0.24 0.01 0.21 -3.38 1.02 0.00 0.00 174.74 172.36 2k5h s HIS 7 N 1.24 0.91 -0.40 1.40 0.00 -1.26 -5.04 115.29 112.15 2k5h s HIS 7 Ca 0.13 -1.70 0.03 0.00 -3.00 0.00 0.00 55.06 50.52 2k5h s HIS 7 Cb -0.14 -1.09 0.16 0.00 -4.00 0.00 0.00 32.58 27.51 2k5h s HIS 7 CO 0.06 -0.82 0.37 -3.38 -1.00 0.00 0.00 174.74 169.97 2k5h s HIS 8 N 1.04 0.27 -0.50 0.38 0.00 -1.26 -5.09 115.29 110.13 2k5h s HIS 8 Ca 0.17 -1.51 -0.17 0.00 -3.00 0.00 0.00 55.06 50.55 2k5h s HIS 8 Cb -0.23 -0.61 0.07 0.00 -4.00 0.00 0.00 32.58 27.81 2k5h s HIS 8 CO -0.02 -0.92 0.51 -1.01 -1.00 0.00 0.00 174.74 172.29 2k5h s HIS 9 N 0.79 3.15 -0.33 0.38 0.09 -1.26 -5.04 115.29 113.07 2k5h s HIS 9 Ca 0.24 -0.81 -0.29 0.00 -0.00 0.00 0.00 55.06 54.21 2k5h s HIS 9 Cb -0.08 -3.41 0.01 0.00 -0.00 0.00 0.00 32.58 29.10 2k5h s HIS 9 CO -0.08 -0.94 1.23 -1.58 -0.00 0.00 0.00 174.74 173.38 2k5h s HIS 10 N 2.09 2.79 0.80 1.40 5.04 -1.26 -5.01 115.29 121.15 2k5h s HIS 10 Ca 0.09 0.92 -0.11 0.00 -1.54 0.00 0.00 55.06 54.41 2k5h s HIS 10 Cb -0.23 -3.95 0.08 0.00 0.04 0.00 0.00 32.58 28.52 2k5h s HIS 10 CO 0.08 -1.45 1.09 -1.12 -2.34 0.00 0.00 174.74 171.01 2k5h s SER 11 N 2.55 4.23 -0.45 9.88 0.01 -1.26 -4.85 113.70 123.82 2k5h s SER 11 Ca 0.53 1.74 0.05 0.00 1.31 0.00 0.00 55.95 59.58 2k5h s SER 11 Cb -0.14 -2.43 0.18 0.00 0.21 0.00 0.00 66.02 63.83 2k5h s SER 11 CO 0.23 -2.20 0.48 -0.55 0.41 0.00 0.00 173.24 171.61 2k5h s SER 12 N -3.40 0.39 -0.48 2.44 0.15 -1.26 -5.00 113.70 106.54 2k5h s SER 12 Ca 0.62 -2.53 0.04 0.00 0.70 0.00 0.00 55.95 54.78 2k5h s SER 12 Cb -0.17 0.43 0.42 0.00 -1.71 0.00 0.00 66.02 64.99 2k5h s SER 12 CO 0.56 -0.13 1.36 0.61 1.20 0.00 0.00 173.24 176.84 2k5h n GLY 13 N 2.95 6.04 3.89 9.45 0.00 -1.26 -5.03 105.19 121.23 2k5h n GLY 13 Ca 0.25 -2.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.30 2k5h n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k5h s ARG 14 N -3.67 3.36 0.69 1.61 1.70 -1.26 -5.11 118.95 116.26 2k5h s ARG 14 Ca 0.51 -0.44 -0.09 0.00 -0.47 0.00 0.00 55.73 55.24 2k5h s ARG 14 Cb 0.42 -3.01 0.15 0.00 -0.57 0.00 0.00 34.95 31.94 2k5h s ARG 14 CO -0.14 0.62 0.94 -1.91 -1.08 0.00 0.00 175.30 173.73 2k5h n GLU 15 N 0.53 -0.68 -3.46 3.89 2.13 -1.26 -5.11 120.64 116.68 2k5h n GLU 15 Ca -0.07 -1.70 -0.06 0.00 0.66 0.00 0.00 57.16 55.99 2k5h n GLU 15 Cb 0.52 -0.88 -0.07 0.00 0.27 0.00 0.00 31.44 31.27 2k5h n GLU 15 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2k5h s ASN 16 N -4.51 -0.33 0.39 4.31 2.47 -1.26 -5.15 114.94 110.87 2k5h s ASN 16 Ca 0.55 0.74 -0.25 0.00 0.42 0.00 0.00 52.86 54.33 2k5h s ASN 16 Cb -0.02 1.48 -0.09 0.00 -1.45 0.00 0.00 41.25 41.18 2k5h s ASN 16 CO 0.38 -0.26 1.10 -0.76 -3.72 0.00 0.00 177.10 173.84 2k5h s LEU 17 N 2.65 4.18 0.03 3.21 1.43 -1.26 -5.05 118.68 123.88 2k5h s LEU 17 Ca 0.07 2.17 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 2k5h s LEU 17 Cb -0.14 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 2k5h s LEU 17 CO -0.16 -0.55 -0.14 -0.47 0.23 0.00 0.00 176.35 175.26 2k5h s TYR 18 N -1.53 1.21 0.00 0.29 5.04 -1.26 -5.03 117.35 116.07 2k5h s TYR 18 Ca 0.57 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2k5h s TYR 18 Cb -0.26 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.32 2k5h s TYR 18 CO 0.33 0.03 0.00 0.34 -1.34 0.00 0.00 175.55 174.90 2k5h n PHE 19 N 1.99 0.00 -2.26 4.97 7.35 -1.26 -4.85 117.46 123.40 2k5h n PHE 19 Ca -0.18 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.38 2k5h n PHE 19 Cb 0.55 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.36 2k5h n PHE 19 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2k5h n GLN 20 N 0.00 -2.01 0.00 -4.13 6.02 -1.26 -4.84 117.38 111.16 2k5h n GLN 20 Ca 0.00 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2k5h n GLN 20 Cb 0.00 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.04 2k5h n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5h n GLY 21 N -0.73 3.86 0.79 1.08 0.00 -1.26 -5.01 105.19 103.91 2k5h n GLY 21 Ca -0.15 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.69 0.82 -3.85 1.61 -0.00 -1.26 -4.84 115.22 107.00 2k5h n HIS 22 Ca 0.00 -0.89 -0.30 0.00 0.46 0.00 0.00 57.72 56.99 2k5h n HIS 22 Cb 0.00 -0.29 -0.14 0.00 -0.12 0.00 0.00 29.99 29.44 2k5h n HIS 22 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2k5h s MET 23 N -2.80 1.43 -0.15 1.57 -2.45 -1.26 -5.08 119.30 110.56 2k5h s MET 23 Ca 0.41 -1.99 -0.28 0.00 -1.25 0.00 0.00 55.69 52.57 2k5h s MET 23 Cb 0.33 -2.76 0.07 0.00 1.25 0.00 0.00 34.83 33.72 2k5h s MET 23 CO 0.08 -1.07 0.71 0.00 1.05 0.00 0.00 175.02 175.79 2k5h s ALA 24 N 0.51 -1.78 0.31 4.11 0.00 -1.26 -5.16 121.76 118.49 2k5h s ALA 24 Ca 0.15 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2k5h s ALA 24 Cb -0.22 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2k5h s ALA 24 CO -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 175.76 175.35 2k5h n ALA 25 N 1.72 -2.56 -2.50 0.00 0.00 -1.26 -4.89 120.51 111.02 2k5h n ALA 25 Ca -0.17 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.52 2k5h n ALA 25 Cb 0.56 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 2k5h n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5h n ARG 26 N -3.63 -2.24 0.06 0.00 1.74 -1.26 -4.86 116.66 106.48 2k5h n ARG 26 Ca -0.02 0.95 0.11 0.00 -0.77 0.00 0.00 57.85 58.12 2k5h n ARG 26 Cb 0.46 -5.59 -0.03 0.00 -1.02 0.00 0.00 32.46 26.27 2k5h n ARG 26 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2k5h n ILE 27 N -4.11 0.40 -3.67 0.55 -5.35 -1.26 -4.84 119.36 101.09 2k5h n ILE 27 Ca -0.21 -0.48 -0.08 0.00 -0.27 0.00 0.00 62.75 61.70 2k5h n ILE 27 Cb 0.67 -0.17 -0.09 0.00 -1.74 0.00 0.00 39.64 38.30 2k5h n ILE 27 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2k5h s THR 28 N -3.37 -0.50 0.00 7.28 2.01 -1.26 -5.12 115.64 114.68 2k5h s THR 28 Ca -0.01 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2k5h s THR 28 Cb 0.11 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.94 2k5h s THR 28 CO 0.82 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 2k5h n GLY 29 N 5.10 3.03 3.23 4.40 0.00 -1.26 -5.08 105.19 114.62 2k5h n GLY 29 Ca -0.12 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2k5h n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 30 N -1.18 3.18 0.00 1.61 2.02 -1.26 -4.96 118.70 118.11 2k5h s GLU 30 Ca 0.00 -2.48 0.00 0.00 0.02 0.00 0.00 54.97 52.51 2k5h s GLU 30 Cb 0.00 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.08 2k5h s GLU 30 CO 0.00 -1.24 0.00 -2.30 0.02 0.00 0.00 175.26 171.74 2k5h n PRO 31 N 3.79 0.00 -0.56 0.39 -0.02 -1.26 -4.66 135.00 132.69 2k5h n PRO 31 Ca 0.11 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2k5h n PRO 31 Cb 0.43 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2k5h n PRO 31 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5h n SER 32 N 0.00 -0.01 -4.91 2.55 7.64 -1.26 -5.13 113.62 112.50 2k5h n SER 32 Ca 0.00 -1.51 -0.24 0.00 1.01 0.00 0.00 58.87 58.13 2k5h n SER 32 Cb 0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 2k5h n SER 32 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2k5h s LYS 33 N 0.00 3.29 -0.00 1.43 -2.85 -1.26 -5.00 119.74 115.35 2k5h s LYS 33 Ca 0.01 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2k5h s LYS 33 Cb 0.01 -2.85 0.01 0.00 -2.06 0.00 0.00 37.83 32.94 2k5h s LYS 33 CO -0.01 0.48 0.74 1.17 0.10 0.00 0.00 175.35 177.83 2k5h n LYS 34 N -0.78 0.09 -3.05 1.78 4.81 -1.26 -5.09 118.16 114.65 2k5h n LYS 34 Ca -0.08 -0.77 -0.29 0.00 -0.87 0.00 0.00 58.31 56.30 2k5h n LYS 34 Cb 0.55 -0.53 -0.03 0.00 0.02 0.00 0.00 35.03 35.05 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 35 N -0.07 3.49 -0.12 3.14 0.00 -1.26 -5.04 121.76 121.90 2k5h s ALA 35 Ca 0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 2k5h s ALA 35 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 2k5h s ALA 35 CO 0.00 0.05 1.03 0.08 0.00 0.00 0.00 175.76 176.92 2k5h s VAL 36 N -2.30 4.72 0.23 0.00 1.01 -1.26 -5.03 120.40 117.77 2k5h s VAL 36 Ca 0.47 2.00 0.10 0.00 0.00 0.00 0.00 61.98 64.55 2k5h s VAL 36 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2k5h s VAL 36 CO 0.33 -0.02 -0.08 -0.44 0.00 0.00 0.00 175.10 174.89 2k5h s SER 37 N 1.15 4.25 0.00 3.32 0.01 -1.26 -4.99 113.70 116.18 2k5h s SER 37 Ca 0.48 -0.68 0.20 0.00 1.31 0.00 0.00 55.95 57.27 2k5h s SER 37 Cb -0.18 -0.70 1.20 0.00 0.21 0.00 0.00 66.02 66.55 2k5h s SER 37 CO 0.17 0.05 1.61 0.47 0.41 0.00 0.00 173.24 175.95 2k5h n ASP 38 N -0.45 0.00 -0.13 2.44 9.92 -1.26 -2.65 116.55 124.43 2k5h n ASP 38 Ca -0.08 -0.56 0.02 0.00 -0.53 0.00 0.00 54.79 53.64 2k5h n ASP 38 Cb 0.58 -0.04 0.08 0.00 -0.64 0.00 0.00 41.12 41.10 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k5h n ARG 39 N -1.04 1.16 -0.00 -1.24 3.00 -1.26 -1.80 116.66 115.48 2k5h n ARG 39 Ca 0.15 -0.26 0.05 0.00 -0.01 0.00 0.00 57.85 57.78 2k5h n ARG 39 Cb 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 32.46 31.34 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2k5h n LEU 40 N -0.32 0.31 -4.71 0.55 4.77 -1.08 -4.88 117.00 111.64 2k5h n LEU 40 Ca 0.04 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 2k5h n LEU 40 Cb 0.07 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2k5h n LEU 40 CO 0.03 0.10 0.87 -0.63 -1.33 0.00 0.00 177.39 176.43 2k5h s ILE 41 N -3.17 4.08 0.00 -0.08 -1.09 -0.75 -3.10 121.20 117.10 2k5h s ILE 41 Ca -0.06 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 2k5h s ILE 41 Cb 0.11 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2k5h s ILE 41 CO 0.85 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 175.29 2k5h n GLY 42 N 3.20 0.60 3.54 6.18 0.00 0.33 -5.00 105.19 114.04 2k5h n GLY 42 Ca 0.09 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 1.91 0.25 1.61 0.52 -1.18 -4.89 118.95 116.66 2k5h s ARG 43 Ca 0.00 -1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 53.54 2k5h s ARG 43 Cb 0.00 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 2k5h s ARG 43 CO 0.00 0.35 0.52 0.15 0.02 0.00 0.00 175.30 176.34 2k5h s LYS 44 N -3.49 3.67 0.34 3.54 1.02 -1.26 -2.00 119.74 121.55 2k5h s LYS 44 Ca 0.30 0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.38 2k5h s LYS 44 Cb -0.06 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2k5h s LYS 44 CO 0.17 0.28 0.35 0.41 -0.92 0.00 0.00 175.35 175.64 2k5h n GLY 45 N -0.58 2.67 3.28 -3.33 0.00 0.19 -4.71 105.19 102.70 2k5h n GLY 45 Ca -0.01 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2k5h n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5h s VAL 46 N -3.22 1.83 -0.37 1.61 0.11 -1.14 -0.94 120.40 118.27 2k5h s VAL 46 Ca 0.38 -1.20 -0.26 0.00 -2.93 0.00 0.00 61.98 57.97 2k5h s VAL 46 Cb 0.01 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 2k5h s VAL 46 CO 0.27 0.32 0.92 -0.69 -3.33 0.00 0.00 175.10 172.58 2k5h s VAL 47 N -0.74 4.60 -0.09 2.04 1.01 -0.16 -0.84 120.40 126.21 2k5h s VAL 47 Ca 0.09 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2k5h s VAL 47 Cb -0.09 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 2k5h s VAL 47 CO 0.01 -0.53 0.49 0.23 0.00 0.00 0.00 175.10 175.30 2k5h n MET 48 N 6.74 0.68 -4.40 2.72 2.81 0.14 -0.36 117.12 125.46 2k5h n MET 48 Ca 0.07 0.26 -0.19 0.00 -1.81 0.00 0.00 57.70 56.02 2k5h n MET 48 Cb 0.48 -1.74 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 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 -2.57 0.85 0.24 0.03 2.56 -0.33 -4.86 118.70 114.61 2k5h s GLU 49 Ca -0.12 -0.50 -0.31 0.00 0.00 0.00 0.00 54.97 54.04 2k5h s GLU 49 Cb 0.07 -0.82 -0.13 0.00 2.00 0.00 0.00 34.13 35.25 2k5h s GLU 49 CO 0.80 0.22 1.38 0.00 -0.56 0.00 0.00 175.26 177.10 2k5h n ALA 50 N 2.49 0.99 -2.97 6.30 0.00 -1.26 -2.54 120.51 123.53 2k5h n ALA 50 Ca -0.15 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 2k5h n ALA 50 Cb 0.56 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.13 3.82 0.26 0.00 1.01 -0.29 -3.95 121.20 121.92 2k5h s ILE 51 Ca 0.68 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 61.04 2k5h s ILE 51 Cb -0.66 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 2k5h s ILE 51 CO 0.51 0.50 -0.15 -0.94 0.00 0.00 0.00 174.94 174.85 2k5h s SER 52 N 0.36 3.12 0.62 3.58 1.04 -0.86 -0.36 113.70 121.21 2k5h s SER 52 Ca -0.05 -1.06 0.41 0.00 0.48 0.00 0.00 55.95 55.74 2k5h s SER 52 Cb -0.14 -0.23 2.22 0.00 0.10 0.00 0.00 66.02 67.97 2k5h s SER 52 CO 0.03 -0.10 2.27 -0.65 0.98 0.00 0.00 173.24 175.77 2k5h h PRO 53 N 2.36 0.00 0.00 4.02 0.11 -1.72 -3.25 132.00 133.52 2k5h h PRO 53 Ca -0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.44 2k5h h PRO 53 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2k5h h PRO 53 CO 0.62 0.00 -1.88 1.04 -0.21 0.00 0.00 178.00 177.57 2k5h n GLN 54 N -2.99 0.56 -4.54 1.05 6.02 -1.26 -4.89 117.38 111.34 2k5h n GLN 54 Ca -0.03 0.26 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 2k5h n GLN 54 Cb 0.09 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.75 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k5h s ASN 55 N -6.84 4.70 0.72 1.08 2.47 -1.23 -5.09 114.94 110.75 2k5h s ASN 55 Ca -0.34 -0.07 -0.15 0.00 0.42 0.00 0.00 52.86 52.72 2k5h s ASN 55 Cb 0.10 -1.45 0.03 0.00 -1.45 0.00 0.00 41.25 38.48 2k5h s ASN 55 CO 0.46 0.28 1.17 -0.44 -3.72 0.00 0.00 177.10 174.86 2k5h s SER 56 N -0.30 4.41 0.00 -4.21 0.01 -1.26 -2.03 113.70 110.32 2k5h s SER 56 Ca 0.05 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2k5h s SER 56 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2k5h s SER 56 CO 0.02 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.18 2k5h n GLY 57 N 0.10 3.79 3.08 3.44 0.00 0.78 -4.72 105.19 111.66 2k5h n GLY 57 Ca 0.12 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 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 1.85 0.08 0.99 1.02 -1.05 -0.10 118.68 121.47 2k5h s LEU 58 Ca 0.00 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2k5h s LEU 58 Cb 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 46.19 45.35 2k5h s LEU 58 CO 0.00 0.11 -0.15 0.68 0.02 0.00 0.00 176.35 177.02 2k5h s VAL 59 N 0.14 1.18 -0.37 -1.59 -7.23 0.22 0.25 120.40 112.99 2k5h s VAL 59 Ca -0.05 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2k5h s VAL 59 Cb -0.11 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 35.71 2k5h s VAL 59 CO 0.02 -0.23 0.20 -0.75 -0.31 0.00 0.00 175.10 174.03 2k5h s LYS 60 N -1.84 2.83 -0.05 4.82 2.20 -0.02 0.08 119.74 127.75 2k5h s LYS 60 Ca -0.00 -1.08 0.02 0.00 -0.36 0.00 0.00 55.97 54.55 2k5h s LYS 60 Cb -0.09 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2k5h s LYS 60 CO 0.02 -0.69 -0.10 0.08 -0.36 0.00 0.00 175.35 174.30 2k5h s VAL 61 N 1.55 0.94 0.00 4.02 1.01 0.62 -2.90 120.40 125.64 2k5h s VAL 61 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2k5h s VAL 61 Cb -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2k5h s VAL 61 CO 0.07 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 2k5h n ASP 62 N 3.80 0.00 0.00 3.32 -0.08 -1.26 -1.78 116.55 120.54 2k5h n ASP 62 Ca -0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2k5h n ASP 62 Cb 0.52 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 43.05 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 -2.00 2.36 3.95 0.27 0.00 -1.26 -5.10 105.19 103.41 2k5h n GLY 63 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.13 3.45 -0.26 1.61 0.41 -0.74 -5.07 118.70 117.98 2k5h s GLU 64 Ca 0.00 -0.61 -0.13 0.00 -0.41 0.00 0.00 54.97 53.82 2k5h s GLU 64 Cb 0.00 -2.93 -0.04 0.00 -1.78 0.00 0.00 34.13 29.38 2k5h s GLU 64 CO 0.00 0.48 0.29 0.99 -0.49 0.00 0.00 175.26 176.52 2k5h s THR 65 N -1.83 5.25 0.32 3.63 2.01 -1.26 -0.28 115.64 123.48 2k5h s THR 65 Ca 0.35 0.41 0.10 0.00 0.31 0.00 0.00 61.69 62.86 2k5h s THR 65 Cb -0.10 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 2k5h s THR 65 CO 0.29 0.23 -0.08 0.26 -0.69 0.00 0.00 174.62 174.62 2k5h s TRP 66 N 1.72 2.44 0.36 4.92 0.52 0.11 -4.93 118.94 124.08 2k5h s TRP 66 Ca 0.12 -0.41 -0.20 0.00 0.02 0.00 0.00 56.10 55.63 2k5h s TRP 66 Cb -0.15 -1.30 -0.10 0.00 -1.15 0.00 0.00 33.47 30.77 2k5h s TRP 66 CO 0.09 0.59 0.86 1.03 0.02 0.00 0.00 176.95 179.54 2k5h s ARG 67 N -3.62 4.22 -0.00 4.98 3.00 -1.09 -0.61 118.95 125.82 2k5h s ARG 67 Ca 0.32 0.99 0.02 0.00 0.00 0.00 0.00 55.73 57.06 2k5h s ARG 67 Cb -0.01 -2.42 -0.01 0.00 0.00 0.00 0.00 34.95 32.51 2k5h s ARG 67 CO 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 175.30 175.53 2k5h s ALA 68 N -1.97 0.52 -0.04 2.13 0.00 0.86 0.25 121.76 123.51 2k5h s ALA 68 Ca 0.56 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2k5h s ALA 68 Cb -0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2k5h s ALA 68 CO 0.17 0.12 -0.17 0.95 0.00 0.00 0.00 175.76 176.82 2k5h s THR 69 N -0.23 1.41 0.07 0.00 -4.23 0.41 -0.16 115.64 112.91 2k5h s THR 69 Ca 0.02 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2k5h s THR 69 Cb -0.03 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 2k5h s THR 69 CO -0.00 0.41 -0.03 -0.44 -0.54 0.00 0.00 174.62 174.02 2k5h s SER 70 N 0.04 0.64 0.00 3.99 0.01 -1.26 -2.98 113.70 114.13 2k5h s SER 70 Ca -0.04 -1.02 0.29 0.00 1.31 0.00 0.00 55.95 56.49 2k5h s SER 70 Cb -0.11 0.18 1.24 0.00 0.21 0.00 0.00 66.02 67.53 2k5h s SER 70 CO 0.02 -0.58 1.87 0.61 0.41 0.00 0.00 173.24 175.57 2k5h n GLY 71 N 0.05 -1.04 3.29 3.44 0.00 -1.26 -3.43 105.19 106.24 2k5h n GLY 71 Ca -0.13 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 0.54 -0.14 2.61 2.01 -1.26 -4.71 115.64 112.14 2k5h s THR 72 Ca 0.27 -1.99 -0.25 0.00 0.31 0.00 0.00 61.69 60.03 2k5h s THR 72 Cb 0.20 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2k5h s THR 72 CO 0.49 -0.12 0.80 0.54 -0.69 0.00 0.00 174.62 175.64 2k5h s VAL 73 N -3.76 4.92 -0.02 3.82 0.11 -1.26 -4.16 120.40 120.04 2k5h s VAL 73 Ca 0.34 1.59 0.04 0.00 -2.93 0.00 0.00 61.98 61.02 2k5h s VAL 73 Cb 0.07 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2k5h s VAL 73 CO 0.11 0.08 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.06 2k5h s LEU 74 N 1.84 2.79 0.54 2.54 1.43 0.52 -4.98 118.68 123.35 2k5h s LEU 74 Ca 0.38 -0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 2k5h s LEU 74 Cb -0.17 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.52 2k5h s LEU 74 CO 0.14 0.31 0.74 -0.62 0.23 0.00 0.00 176.35 177.15 2k5h s ASP 75 N -1.02 5.23 0.14 2.29 -1.08 -1.26 -1.13 116.67 119.84 2k5h s ASP 75 Ca 0.13 -0.71 -0.26 0.00 -0.52 0.00 0.00 52.55 51.20 2k5h s ASP 75 Cb -0.11 0.02 -0.07 0.00 -1.46 0.00 0.00 42.92 41.29 2k5h s ASP 75 CO 0.03 -1.20 0.79 -0.69 0.52 0.00 0.00 175.17 174.61 2k5h s VAL 76 N -2.60 4.43 0.00 1.11 1.01 -1.26 -3.59 120.40 119.51 2k5h s VAL 76 Ca 0.60 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2k5h s VAL 76 Cb -0.07 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2k5h s VAL 76 CO 0.38 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.57 2k5h n GLY 77 N 1.77 1.51 3.74 4.51 0.00 0.52 -4.98 105.19 112.27 2k5h n GLY 77 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.86 1.30 -0.17 1.61 0.41 -1.24 -4.71 118.70 115.05 2k5h s GLU 78 Ca 0.00 0.63 -0.03 0.00 -0.41 0.00 0.00 54.97 55.16 2k5h s GLU 78 Cb 0.00 -1.83 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 2k5h s GLU 78 CO 0.00 -2.17 -0.05 -1.21 -0.49 0.00 0.00 175.26 171.34 2k5h s GLU 79 N -5.05 3.55 0.30 1.61 2.02 -1.26 -0.99 118.70 118.87 2k5h s GLU 79 Ca 0.63 -0.58 0.09 0.00 0.02 0.00 0.00 54.97 55.14 2k5h s GLU 79 Cb -0.17 -2.89 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 2k5h s GLU 79 CO 0.56 0.13 -0.12 0.14 0.02 0.00 0.00 175.26 175.98 2k5h s VAL 80 N 0.65 2.12 -0.02 2.63 -7.23 -0.12 -1.72 120.40 116.71 2k5h s VAL 80 Ca -0.03 -2.24 0.06 0.00 -1.81 0.00 0.00 61.98 57.96 2k5h s VAL 80 Cb -0.15 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2k5h s VAL 80 CO 0.02 -0.32 -0.21 -0.44 -0.31 0.00 0.00 175.10 173.85 2k5h s SER 81 N -3.52 2.47 -0.30 4.85 0.01 -0.26 0.56 113.70 117.51 2k5h s SER 81 Ca 0.30 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 56.94 2k5h s SER 81 Cb 0.00 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2k5h s SER 81 CO 0.14 0.25 0.80 -0.69 0.41 0.00 0.00 173.24 174.15 2k5h s VAL 82 N -0.43 4.79 -0.15 3.43 1.01 -0.85 -2.76 120.40 125.44 2k5h s VAL 82 Ca 0.06 1.24 0.16 0.00 0.00 0.00 0.00 61.98 63.45 2k5h s VAL 82 Cb -0.09 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 2k5h s VAL 82 CO -0.00 -0.24 0.12 0.29 0.00 0.00 0.00 175.10 175.26 2k5h n LYS 83 N 6.21 1.02 -3.90 2.72 5.02 -0.51 -0.51 118.16 128.21 2k5h n LYS 83 Ca 0.04 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 2k5h n LYS 83 Cb 0.48 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h s ALA 84 N -2.57 -0.26 -0.06 7.82 0.00 -1.03 -4.88 121.76 120.78 2k5h s ALA 84 Ca -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2k5h s ALA 84 Cb 0.06 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 2k5h s ALA 84 CO 0.74 -0.69 -0.20 0.42 0.00 0.00 0.00 175.76 176.03 2k5h s ILE 85 N -3.94 2.56 -0.34 0.00 1.01 -1.26 -0.28 121.20 118.96 2k5h s ILE 85 Ca 0.15 -0.89 0.12 0.00 0.00 0.00 0.00 60.65 60.02 2k5h s ILE 85 Cb 0.02 -1.98 0.46 0.00 0.01 0.00 0.00 42.46 40.97 2k5h s ILE 85 CO -0.01 0.57 1.10 1.21 0.00 0.00 0.00 174.94 177.81 2k5h n GLU 86 N 2.70 2.67 0.00 2.79 4.07 0.14 -4.87 120.64 128.14 2k5h n GLU 86 Ca -0.17 -3.96 0.00 0.00 -0.06 0.00 0.00 57.16 52.97 2k5h n GLU 86 Cb 0.52 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k5h n GLY 87 N -0.47 1.64 0.00 8.31 0.00 -1.26 -3.15 105.19 110.25 2k5h n GLY 87 Ca 0.28 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.71 2k5h n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5h n VAL 88 N 0.00 0.00 -4.29 1.61 0.24 -1.26 -4.75 118.33 109.89 2k5h n VAL 88 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2k5h n VAL 88 Cb 0.00 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 31.78 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5h s LYS 89 N -2.67 2.90 0.06 7.34 1.02 -1.19 -2.69 119.74 124.52 2k5h s LYS 89 Ca 0.25 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.78 2k5h s LYS 89 Cb 0.20 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2k5h s LYS 89 CO 0.48 0.66 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.98 2k5h s LEU 90 N -1.34 3.16 -0.57 3.17 1.43 0.14 0.24 118.68 124.91 2k5h s LEU 90 Ca 0.18 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 2k5h s LEU 90 Cb -0.11 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.30 2k5h s LEU 90 CO 0.08 0.22 0.69 -0.69 0.23 0.00 0.00 176.35 176.88 2k5h s VAL 91 N -1.15 4.81 0.21 -1.59 1.01 0.62 -0.44 120.40 123.87 2k5h s VAL 91 Ca 0.21 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2k5h s VAL 91 Cb -0.11 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2k5h s VAL 91 CO 0.12 -1.06 -0.16 0.68 0.00 0.00 0.00 175.10 174.69 2k5h s VAL 92 N 2.73 1.85 0.15 2.92 -7.23 -1.16 -1.42 120.40 118.25 2k5h s VAL 92 Ca 0.13 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 2k5h s VAL 92 Cb -0.23 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2k5h s VAL 92 CO 0.08 -0.52 0.22 -1.83 -0.31 0.00 0.00 175.10 172.74 2k5h s GLU 93 N -3.46 1.08 0.21 4.82 -1.05 -1.11 -4.47 118.70 114.71 2k5h s GLU 93 Ca 0.22 -1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 53.51 2k5h s GLU 93 Cb -0.02 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 2k5h s GLU 93 CO 0.08 -0.37 1.20 0.21 0.95 0.00 0.00 175.26 177.33 2k5h s LYS 94 N -3.98 4.49 0.28 -4.83 2.20 -1.26 -1.10 119.74 115.54 2k5h s LYS 94 Ca 0.18 1.91 0.08 0.00 -0.36 0.00 0.00 55.97 57.78 2k5h s LYS 94 Cb 0.04 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2k5h s LYS 94 CO 0.00 -0.07 0.17 -0.51 -0.36 0.00 0.00 175.35 174.57 2k5h s LEU 95 N -0.47 3.58 0.61 5.43 2.01 -0.70 -4.85 118.68 124.28 2k5h s LEU 95 Ca 0.52 -0.44 -0.16 0.00 0.01 0.00 0.00 54.13 54.06 2k5h s LEU 95 Cb -0.33 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 43.72 2k5h s LEU 95 CO 0.38 -0.12 1.07 -1.61 1.01 0.00 0.00 176.35 177.09 2k5h s GLU 96 N -3.84 3.19 -0.12 1.70 2.02 -1.26 -4.79 118.70 115.60 2k5h s GLU 96 Ca 0.35 1.28 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 2k5h s GLU 96 Cb -0.07 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 2k5h s GLU 96 CO 0.24 -0.92 1.19 -2.00 0.02 0.00 0.00 175.26 173.79 2k5h s GLU 97 N -4.02 4.30 -0.41 1.61 2.12 -1.26 -4.97 118.70 116.07 2k5h s GLU 97 Ca 0.65 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 57.31 2k5h s GLU 97 Cb -0.18 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.60 2k5h s GLU 97 CO 0.37 -0.55 1.13 -0.65 -0.54 0.00 0.00 175.26 175.02 2k5h s GLN 98 N 2.76 3.86 0.13 4.30 -0.21 -1.26 -5.01 119.66 124.23 2k5h s GLN 98 Ca 0.54 0.79 -0.21 0.00 0.02 0.00 0.00 55.36 56.50 2k5h s GLN 98 Cb -0.22 -3.84 -0.07 0.00 1.00 0.00 0.00 33.01 29.87 2k5h s GLN 98 CO 0.18 -1.20 0.66 0.15 -2.12 0.00 0.00 175.29 172.96 2k5h s LYS 99 N 4.15 4.32 0.33 2.91 3.01 -1.26 -5.07 119.74 128.14 2k5h s LYS 99 Ca 0.48 0.89 0.04 0.00 -1.01 0.00 0.00 55.97 56.37 2k5h s LYS 99 Cb -0.09 -3.17 -0.02 0.00 -1.01 0.00 0.00 37.83 33.54 2k5h s LYS 99 CO 0.25 0.57 0.34 0.20 0.51 0.00 0.00 175.35 177.22 2k5h s GLY 100 N -1.25 2.07 0.00 -3.33 0.00 -1.26 -5.30 107.32 98.25 2k5h s GLY 100 Ca 0.34 -1.90 0.28 0.00 0.00 0.00 0.00 44.72 43.44 2k5h s GLY 100 CO 0.22 -1.33 1.73 1.44 0.00 0.00 0.00 173.10 175.16