#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 -1.98 3.44 3.17 0.00 -1.26 -5.10 105.19 103.47 2k5h n GLY 2 Ca 0.00 0.96 -0.44 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 6.42 -1.30 1.61 0.01 -1.26 -4.96 113.70 114.23 2k5h s SER 3 Ca 0.00 -1.60 -0.17 0.00 1.31 0.00 0.00 55.95 55.49 2k5h s SER 3 Cb 0.00 -2.40 0.08 0.00 0.21 0.00 0.00 66.02 63.92 2k5h s SER 3 CO 0.00 -1.21 1.72 -1.54 0.41 0.00 0.00 173.24 172.63 2k5h n SER 4 N 6.96 4.93 -4.52 2.44 3.41 -1.26 -4.94 113.62 120.64 2k5h n SER 4 Ca 0.10 -2.93 -0.34 0.00 -0.26 0.00 0.00 58.87 55.45 2k5h n SER 4 Cb 0.47 -1.72 -0.12 0.00 -0.26 0.00 0.00 64.21 62.58 2k5h n SER 4 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2k5h s HIS 5 N 3.81 3.06 -0.24 7.33 0.09 -1.26 -5.08 115.29 123.00 2k5h s HIS 5 Ca 0.52 -0.25 -0.10 0.00 -0.00 0.00 0.00 55.06 55.23 2k5h s HIS 5 Cb 0.04 -1.99 0.09 0.00 -0.00 0.00 0.00 32.58 30.72 2k5h s HIS 5 CO 0.06 -0.02 0.53 -3.38 -0.00 0.00 0.00 174.74 171.94 2k5h s HIS 6 N 0.41 -0.97 0.05 1.40 -0.00 -1.26 -5.16 115.29 109.75 2k5h s HIS 6 Ca -0.03 1.83 0.05 0.00 -0.00 0.00 0.00 55.06 56.92 2k5h s HIS 6 Cb -0.14 0.50 -0.04 0.00 -0.00 0.00 0.00 32.58 32.91 2k5h s HIS 6 CO 0.02 -0.52 -0.10 -1.01 -0.00 0.00 0.00 174.74 173.14 2k5h s HIS 7 N 2.28 2.77 -0.13 0.38 0.09 -1.26 -5.11 115.29 114.32 2k5h s HIS 7 Ca -0.06 -0.12 -0.04 0.00 -0.00 0.00 0.00 55.06 54.84 2k5h s HIS 7 Cb -0.10 -1.52 0.05 0.00 -0.00 0.00 0.00 32.58 31.01 2k5h s HIS 7 CO -0.16 0.36 0.09 -1.58 -0.00 0.00 0.00 174.74 173.45 2k5h s HIS 8 N -1.06 0.12 -0.31 1.40 5.04 -1.26 -5.10 115.29 114.12 2k5h s HIS 8 Ca 0.18 -0.08 -0.29 0.00 -1.54 0.00 0.00 55.06 53.33 2k5h s HIS 8 Cb -0.11 -0.60 -0.02 0.00 0.04 0.00 0.00 32.58 31.89 2k5h s HIS 8 CO 0.09 -0.40 1.74 -1.58 -2.34 0.00 0.00 174.74 172.25 2k5h s HIS 9 N 2.16 1.90 0.21 3.88 5.65 -1.26 -4.95 115.29 122.88 2k5h s HIS 9 Ca 0.03 0.59 -0.30 0.00 0.25 0.00 0.00 55.06 55.63 2k5h s HIS 9 Cb -0.15 -4.12 -0.09 0.00 -1.18 0.00 0.00 32.58 27.04 2k5h s HIS 9 CO -0.07 -2.92 1.39 -1.58 -0.65 0.00 0.00 174.74 170.91 2k5h s HIS 10 N 6.40 3.14 0.10 3.88 2.46 -1.26 -4.93 115.29 125.08 2k5h s HIS 10 Ca 0.77 1.06 -0.34 0.00 0.47 0.00 0.00 55.06 57.02 2k5h s HIS 10 Cb -0.23 -3.73 -0.13 0.00 -0.13 0.00 0.00 32.58 28.36 2k5h s HIS 10 CO 0.33 -2.38 1.65 -1.13 -2.47 0.00 0.00 174.74 170.73 2k5h n SER 11 N 2.77 3.16 -3.97 9.88 3.41 -1.26 -4.97 113.62 122.64 2k5h n SER 11 Ca 0.08 1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 59.65 2k5h n SER 11 Cb 0.41 -1.41 -0.11 0.00 -0.26 0.00 0.00 64.21 62.84 2k5h n SER 11 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k5h s SER 12 N 1.66 0.23 0.00 4.04 0.01 -1.26 -5.11 113.70 113.26 2k5h s SER 12 Ca 0.82 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2k5h s SER 12 Cb -0.68 0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2k5h s SER 12 CO 0.41 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2k5h n GLY 13 N 1.56 0.36 2.92 3.44 0.00 -1.26 -5.04 105.19 107.16 2k5h n GLY 13 Ca -0.24 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2k5h n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5h s ARG 14 N -2.00 0.61 -0.22 1.61 3.52 -1.26 -5.10 118.95 116.12 2k5h s ARG 14 Ca 0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 2k5h s ARG 14 Cb 0.00 -0.38 0.08 0.00 -1.56 0.00 0.00 34.95 33.09 2k5h s ARG 14 CO 0.00 -1.14 0.13 -2.00 -0.81 0.00 0.00 175.30 171.48 2k5h s GLU 15 N 1.90 0.13 1.88 5.12 2.12 -1.26 -5.10 118.70 123.50 2k5h s GLU 15 Ca 0.14 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2k5h s GLU 15 Cb -0.12 -1.48 0.00 0.00 0.26 0.00 0.00 34.13 32.80 2k5h s GLU 15 CO -0.13 -0.78 0.00 -1.71 -0.54 0.00 0.00 175.26 172.09 2k5h n ASN 16 N 5.28 -3.78 -4.85 -1.70 2.85 -1.26 -4.79 115.26 107.02 2k5h n ASN 16 Ca -0.06 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.09 2k5h n ASN 16 Cb 0.47 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.46 2k5h n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k5h s LEU 17 N 0.00 3.64 -0.81 1.20 1.43 -1.26 -4.96 118.68 117.92 2k5h s LEU 17 Ca 0.00 1.49 -0.25 0.00 -1.03 0.00 0.00 54.13 54.34 2k5h s LEU 17 Cb 0.00 -4.42 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 2k5h s LEU 17 CO 0.00 -0.57 1.67 -0.31 0.23 0.00 0.00 176.35 177.37 2k5h s TYR 18 N -2.60 2.03 -0.40 0.29 2.02 -1.26 -4.89 117.35 112.53 2k5h s TYR 18 Ca 0.57 0.20 0.02 0.00 -0.37 0.00 0.00 57.07 57.50 2k5h s TYR 18 Cb -0.10 -4.33 0.12 0.00 -0.40 0.00 0.00 41.96 37.25 2k5h s TYR 18 CO 0.32 -2.02 0.17 -0.06 -1.57 0.00 0.00 175.55 172.39 2k5h s PHE 19 N 7.75 2.47 0.56 2.71 0.08 -1.26 -5.12 117.98 125.16 2k5h s PHE 19 Ca 0.56 -2.49 -0.03 0.00 0.12 0.00 0.00 56.93 55.09 2k5h s PHE 19 Cb -0.07 -2.21 0.12 0.00 -0.57 0.00 0.00 43.02 40.29 2k5h s PHE 19 CO 0.07 -0.83 0.77 1.04 -0.10 0.00 0.00 175.22 176.16 2k5h n GLN 20 N 3.94 -0.18 -0.36 0.44 6.02 -1.26 -5.11 117.38 120.86 2k5h n GLN 20 Ca 0.04 -1.79 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 2k5h n GLN 20 Cb 0.37 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.61 0.92 3.82 1.08 0.00 -1.26 -5.08 105.19 104.07 2k5h n GLY 21 Ca 0.12 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 2k5h n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5h s HIS 22 N 0.74 3.76 -0.89 1.61 3.76 -1.26 -4.96 115.29 118.06 2k5h s HIS 22 Ca 0.00 1.12 0.07 0.00 -0.15 0.00 0.00 55.06 56.10 2k5h s HIS 22 Cb 0.00 -2.39 0.06 0.00 1.11 0.00 0.00 32.58 31.36 2k5h s HIS 22 CO 0.00 0.61 0.74 0.00 -0.85 0.00 0.00 174.74 175.24 2k5h n MET 23 N 1.81 0.08 -2.44 1.40 0.00 -1.26 -4.98 117.12 111.74 2k5h n MET 23 Ca -0.12 -0.95 -0.43 0.00 0.00 0.00 0.00 57.70 56.20 2k5h n MET 23 Cb 0.52 -1.14 -0.02 0.00 0.00 0.00 0.00 33.22 32.57 2k5h n MET 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k5h s ALA 24 N -0.61 3.58 -2.14 3.17 0.00 -1.26 -4.90 121.76 119.60 2k5h s ALA 24 Ca 0.09 0.54 0.16 0.00 0.00 0.00 0.00 51.96 52.75 2k5h s ALA 24 Cb 0.06 -3.57 0.61 0.00 0.00 0.00 0.00 23.12 20.22 2k5h s ALA 24 CO 0.09 -0.98 1.44 0.00 0.00 0.00 0.00 175.76 176.31 2k5h n ALA 25 N 5.93 2.50 -2.65 0.00 0.00 -1.26 -4.88 120.51 120.16 2k5h n ALA 25 Ca 0.12 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 2k5h n ALA 25 Cb 0.45 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 2k5h n ALA 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k5h s ARG 26 N -1.74 1.28 0.88 0.00 3.03 -1.26 -5.11 118.95 116.02 2k5h s ARG 26 Ca 0.27 -1.38 0.00 0.00 2.03 0.00 0.00 55.73 56.65 2k5h s ARG 26 Cb 0.14 0.36 0.00 0.00 -1.03 0.00 0.00 34.95 34.42 2k5h s ARG 26 CO 0.21 -0.47 0.00 -0.89 -1.13 0.00 0.00 175.30 173.02 2k5h n ILE 27 N -0.28 0.00 0.00 4.99 2.08 -1.26 -4.81 119.36 120.08 2k5h n ILE 27 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2k5h n ILE 27 Cb 0.64 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.27 2k5h n ILE 27 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2k5h n THR 28 N -2.95 0.00 -3.42 1.39 -1.04 -1.26 -4.50 114.28 102.50 2k5h n THR 28 Ca 0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2k5h n THR 28 Cb 0.34 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 2k5h n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k5h s GLY 29 N 0.00 0.60 0.18 3.41 0.00 -1.26 -5.13 107.32 105.11 2k5h s GLY 29 Ca 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 44.72 43.20 2k5h s GLY 29 CO 0.00 2.30 -0.25 -0.54 0.00 0.00 0.00 173.10 174.62 2k5h s GLU 30 N 1.10 1.48 0.00 2.90 2.02 -1.26 -5.03 118.70 119.91 2k5h s GLU 30 Ca 0.19 -1.47 0.25 0.00 0.02 0.00 0.00 54.97 53.96 2k5h s GLU 30 Cb -0.19 -1.85 1.33 0.00 0.10 0.00 0.00 34.13 33.53 2k5h s GLU 30 CO -0.01 0.41 1.86 -0.35 0.02 0.00 0.00 175.26 177.19 2k5h n PRO 31 N 0.44 0.45 -1.08 0.39 -0.04 -1.26 -4.87 135.00 129.04 2k5h n PRO 31 Ca -0.14 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 2k5h n PRO 31 Cb 0.55 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 2k5h n PRO 31 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k5h s SER 32 N -2.46 3.78 0.01 3.54 1.04 -1.26 -4.98 113.70 113.36 2k5h s SER 32 Ca 0.27 1.85 -0.27 0.00 0.48 0.00 0.00 55.95 58.28 2k5h s SER 32 Cb 0.17 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2k5h s SER 32 CO 0.37 -2.50 0.85 -0.75 0.98 0.00 0.00 173.24 172.18 2k5h s LYS 33 N -4.83 4.53 0.40 4.02 2.47 -1.26 -5.05 119.74 120.02 2k5h s LYS 33 Ca 0.63 1.19 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 2k5h s LYS 33 Cb -0.19 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 2k5h s LYS 33 CO 0.57 0.10 0.03 1.63 0.16 0.00 0.00 175.35 177.83 2k5h n LYS 34 N 3.46 1.02 -0.22 4.03 5.02 -1.26 -5.10 118.16 125.10 2k5h n LYS 34 Ca 0.01 -2.89 0.03 0.00 -2.02 0.00 0.00 58.31 53.45 2k5h n LYS 34 Cb 0.51 0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 36.24 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h n ALA 35 N -1.77 -0.58 -2.59 7.82 0.00 -1.26 -4.93 120.51 117.20 2k5h n ALA 35 Ca -0.16 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2k5h n ALA 35 Cb 0.50 -0.20 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 2k5h n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5h s VAL 36 N -0.53 1.10 0.43 0.00 0.11 -1.26 -5.16 120.40 115.10 2k5h s VAL 36 Ca 0.00 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2k5h s VAL 36 Cb 0.00 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2k5h s VAL 36 CO 0.00 0.22 0.18 -0.24 -3.33 0.00 0.00 175.10 171.94 2k5h n SER 37 N 2.49 2.73 -0.75 3.54 2.88 -1.26 -5.04 113.62 118.21 2k5h n SER 37 Ca -0.15 -2.65 0.09 0.00 -1.33 0.00 0.00 58.87 54.83 2k5h n SER 37 Cb 0.55 0.11 0.28 0.00 -0.75 0.00 0.00 64.21 64.40 2k5h n SER 37 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k5h n ASP 38 N -1.60 2.22 0.00 -3.46 5.68 -1.26 -3.80 116.55 114.33 2k5h n ASP 38 Ca -0.08 -1.87 0.13 0.00 -0.50 0.00 0.00 54.79 52.47 2k5h n ASP 38 Cb 0.51 -0.20 0.59 0.00 -1.14 0.00 0.00 41.12 40.88 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5h n ARG 39 N 0.69 0.08 0.12 0.11 5.12 -1.26 -2.02 116.66 119.50 2k5h n ARG 39 Ca 0.16 0.04 0.12 0.00 -1.93 0.00 0.00 57.85 56.24 2k5h n ARG 39 Cb 0.39 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.43 2k5h n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2k5h h LEU 40 N 0.00 0.00 -9.27 0.55 3.38 -1.98 -3.45 115.31 104.54 2k5h h LEU 40 Ca 0.00 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.35 2k5h h LEU 40 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2k5h h LEU 40 CO 0.00 0.03 0.72 -0.63 0.09 0.00 0.00 178.44 178.65 2k5h s ILE 41 N -3.17 4.34 0.00 1.22 -1.09 -0.86 -2.92 121.20 118.72 2k5h s ILE 41 Ca 0.07 1.65 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 2k5h s ILE 41 Cb 0.11 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2k5h s ILE 41 CO 0.67 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 2k5h n GLY 42 N 3.36 0.80 3.74 6.18 0.00 -0.09 -5.03 105.19 114.15 2k5h n GLY 42 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 2.20 0.16 1.61 0.52 -1.15 -4.93 118.95 116.50 2k5h s ARG 43 Ca 0.00 -1.90 -0.15 0.00 -0.52 0.00 0.00 55.73 53.15 2k5h s ARG 43 Cb 0.00 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.46 2k5h s ARG 43 CO 0.00 -0.14 0.59 0.21 0.02 0.00 0.00 175.30 175.97 2k5h s LYS 44 N -3.90 4.04 0.02 3.54 2.20 -1.26 -1.82 119.74 122.56 2k5h s LYS 44 Ca 0.39 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 2k5h s LYS 44 Cb 0.04 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 2k5h s LYS 44 CO 0.21 0.46 -0.11 0.20 -0.36 0.00 0.00 175.35 175.75 2k5h s GLY 45 N -1.70 0.60 -0.00 5.54 0.00 0.17 -4.43 107.32 107.49 2k5h s GLY 45 Ca 0.39 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.38 2k5h s GLY 45 CO 0.19 -0.62 0.29 0.54 0.00 0.00 0.00 173.10 173.50 2k5h s VAL 46 N -0.71 5.26 -0.42 1.40 0.11 -0.82 0.79 120.40 126.00 2k5h s VAL 46 Ca -0.00 0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 59.13 2k5h s VAL 46 Cb -0.07 -3.58 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2k5h s VAL 46 CO 0.01 0.43 0.88 -0.69 -3.33 0.00 0.00 175.10 172.39 2k5h s VAL 47 N -1.24 4.56 -0.11 2.04 1.01 0.45 -0.31 120.40 126.80 2k5h s VAL 47 Ca 0.26 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 2k5h s VAL 47 Cb -0.14 -4.36 -0.25 0.00 0.00 0.00 0.00 36.38 31.63 2k5h s VAL 47 CO 0.14 -0.69 0.40 0.23 0.00 0.00 0.00 175.10 175.18 2k5h n MET 48 N 6.89 0.73 -4.99 2.72 2.81 0.52 -0.35 117.12 125.46 2k5h n MET 48 Ca 0.05 0.26 -0.27 0.00 -1.81 0.00 0.00 57.70 55.93 2k5h n MET 48 Cb 0.48 -1.71 -0.15 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.56 1.68 -0.08 0.03 2.56 -0.06 -4.82 118.70 115.45 2k5h s GLU 49 Ca -0.19 -0.80 -0.31 0.00 0.00 0.00 0.00 54.97 53.67 2k5h s GLU 49 Cb 0.07 -1.66 -0.09 0.00 2.00 0.00 0.00 34.13 34.45 2k5h s GLU 49 CO 0.77 0.45 2.03 0.00 -0.56 0.00 0.00 175.26 177.96 2k5h n ALA 50 N 2.43 1.44 -2.08 6.30 0.00 -1.26 -2.89 120.51 124.46 2k5h n ALA 50 Ca -0.16 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 2k5h n ALA 50 Cb 0.53 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.22 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 5.52 4.48 0.14 0.00 1.01 -1.12 -4.34 121.20 126.89 2k5h s ILE 51 Ca 0.94 1.56 -0.13 0.00 0.00 0.00 0.00 60.65 63.02 2k5h s ILE 51 Cb -0.49 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 37.92 2k5h s ILE 51 CO 0.43 0.53 0.35 -0.94 0.00 0.00 0.00 174.94 175.31 2k5h s SER 52 N -1.11 -0.09 0.37 3.58 1.04 -1.03 -0.37 113.70 116.09 2k5h s SER 52 Ca 0.34 -0.58 0.27 0.00 0.48 0.00 0.00 55.95 56.45 2k5h s SER 52 Cb -0.22 0.46 1.24 0.00 0.10 0.00 0.00 66.02 67.60 2k5h s SER 52 CO 0.24 -0.88 1.81 -0.65 0.98 0.00 0.00 173.24 174.74 2k5h h PRO 53 N 2.46 0.00 -0.05 4.02 0.11 -1.78 -2.99 132.00 133.76 2k5h h PRO 53 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 2k5h h PRO 53 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k5h h PRO 53 CO 0.47 0.00 -0.06 0.37 -0.21 0.00 0.00 178.00 178.57 2k5h h GLN 54 N 0.00 0.13 -2.62 1.05 4.15 -1.95 -3.48 115.11 112.39 2k5h h GLN 54 Ca 0.00 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.45 2k5h h GLN 54 Cb 0.27 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.88 2k5h h GLN 54 CO 0.00 0.60 0.37 1.21 -1.93 0.00 0.00 178.83 179.08 2k5h s ASN 55 N -5.87 -0.30 0.72 -0.69 3.84 -1.13 -5.16 114.94 106.35 2k5h s ASN 55 Ca -0.15 -0.33 -0.15 0.00 0.21 0.00 0.00 52.86 52.44 2k5h s ASN 55 Cb 0.03 0.56 0.04 0.00 -0.55 0.00 0.00 41.25 41.32 2k5h s ASN 55 CO 0.70 -0.99 1.18 -0.44 -2.79 0.00 0.00 177.10 174.77 2k5h s SER 56 N -2.83 4.34 0.26 -4.21 0.01 -1.26 -2.47 113.70 107.54 2k5h s SER 56 Ca 0.09 2.27 0.02 0.00 1.31 0.00 0.00 55.95 59.64 2k5h s SER 56 Cb -0.03 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2k5h s SER 56 CO -0.01 -2.16 0.14 0.61 0.41 0.00 0.00 173.24 172.23 2k5h n GLY 57 N 0.19 3.19 3.16 3.44 0.00 -0.02 -4.75 105.19 110.40 2k5h n GLY 57 Ca 0.13 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 2.09 0.03 0.99 1.43 -1.14 -0.57 118.68 121.52 2k5h s LEU 58 Ca 0.11 -0.60 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2k5h s LEU 58 Cb -0.01 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 2k5h s LEU 58 CO 0.07 0.07 -0.25 0.68 0.23 0.00 0.00 176.35 177.15 2k5h s VAL 59 N 0.88 2.00 -0.36 -1.59 -7.23 -0.04 -0.35 120.40 113.71 2k5h s VAL 59 Ca -0.06 -1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 2k5h s VAL 59 Cb -0.15 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.08 2k5h s VAL 59 CO -0.03 0.36 0.49 -0.75 -0.31 0.00 0.00 175.10 174.86 2k5h s LYS 60 N -1.11 3.55 -1.09 4.82 2.20 0.57 0.20 119.74 128.88 2k5h s LYS 60 Ca 0.10 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 2k5h s LYS 60 Cb -0.10 -3.83 0.24 0.00 -1.51 0.00 0.00 37.83 32.64 2k5h s LYS 60 CO 0.01 -0.66 1.14 0.08 -0.36 0.00 0.00 175.35 175.56 2k5h s VAL 61 N 2.33 5.72 0.00 4.02 1.01 0.15 -1.95 120.40 131.68 2k5h s VAL 61 Ca 0.17 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 59.07 2k5h s VAL 61 Cb -0.16 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.56 2k5h s VAL 61 CO 0.13 -1.27 0.00 -0.67 0.00 0.00 0.00 175.10 173.30 2k5h n ASP 62 N 3.60 0.00 0.09 3.32 -0.08 -1.26 -3.72 116.55 118.49 2k5h n ASP 62 Ca 0.25 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2k5h n ASP 62 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 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 -0.51 3.80 0.27 0.00 -1.26 -5.14 105.19 102.35 2k5h n GLY 63 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.59 -0.10 1.61 2.02 -1.24 -5.04 118.70 116.54 2k5h s GLU 64 Ca 0.00 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.51 2k5h s GLU 64 Cb 0.00 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 2k5h s GLU 64 CO 0.00 0.12 0.22 -0.08 0.02 0.00 0.00 175.26 175.53 2k5h s THR 65 N -2.35 5.37 0.21 3.63 -1.32 -1.26 0.30 115.64 120.22 2k5h s THR 65 Ca 0.39 0.39 0.03 0.00 -1.21 0.00 0.00 61.69 61.29 2k5h s THR 65 Cb -0.05 -3.50 -0.05 0.00 -1.51 0.00 0.00 72.50 67.39 2k5h s THR 65 CO 0.25 0.58 0.00 0.26 -2.21 0.00 0.00 174.62 173.50 2k5h s TRP 66 N -0.80 1.42 0.35 9.09 0.52 0.13 -4.94 118.94 124.71 2k5h s TRP 66 Ca 0.17 -0.97 -0.25 0.00 0.02 0.00 0.00 56.10 55.07 2k5h s TRP 66 Cb -0.13 -0.81 -0.10 0.00 -1.15 0.00 0.00 33.47 31.28 2k5h s TRP 66 CO 0.06 -0.12 0.95 1.03 0.02 0.00 0.00 176.95 178.89 2k5h s ARG 67 N -3.89 4.48 0.00 4.98 3.00 -1.26 -0.86 118.95 125.41 2k5h s ARG 67 Ca 0.27 1.29 0.01 0.00 0.00 0.00 0.00 55.73 57.30 2k5h s ARG 67 Cb 0.06 -2.64 -0.00 0.00 0.00 0.00 0.00 34.95 32.36 2k5h s ARG 67 CO 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 175.30 175.53 2k5h s ALA 68 N -1.75 0.18 0.02 2.13 0.00 0.26 0.18 121.76 122.78 2k5h s ALA 68 Ca 0.53 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2k5h s ALA 68 Cb -0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2k5h s ALA 68 CO 0.22 0.03 -0.16 0.95 0.00 0.00 0.00 175.76 176.80 2k5h s THR 69 N -0.15 1.25 0.24 0.00 -4.23 1.00 -0.84 115.64 112.92 2k5h s THR 69 Ca -0.00 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.46 2k5h s THR 69 Cb -0.01 -1.09 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 2k5h s THR 69 CO -0.00 0.16 0.47 -0.94 -0.54 0.00 0.00 174.62 173.77 2k5h s SER 70 N -0.88 -0.10 -0.32 3.99 1.04 -1.26 -1.51 113.70 114.67 2k5h s SER 70 Ca 0.04 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.63 2k5h s SER 70 Cb -0.07 0.58 0.57 0.00 0.10 0.00 0.00 66.02 67.19 2k5h s SER 70 CO 0.01 -1.12 1.67 0.61 0.98 0.00 0.00 173.24 175.39 2k5h n GLY 71 N -0.37 3.66 3.44 7.32 0.00 -1.26 -4.47 105.19 113.51 2k5h n GLY 71 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.57 0.00 -0.12 2.61 2.01 -1.26 -4.99 115.64 111.32 2k5h s THR 72 Ca 0.45 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.66 2k5h s THR 72 Cb 0.37 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 2k5h s THR 72 CO 0.10 0.00 0.36 0.54 -0.69 0.00 0.00 174.62 174.93 2k5h s VAL 73 N -3.89 5.24 0.04 3.82 0.11 -1.26 -4.17 120.40 120.28 2k5h s VAL 73 Ca 0.29 0.70 0.08 0.00 -2.93 0.00 0.00 61.98 60.13 2k5h s VAL 73 Cb 0.02 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2k5h s VAL 73 CO 0.12 0.41 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.30 2k5h s LEU 74 N 0.23 2.15 0.27 2.54 1.43 0.50 -5.00 118.68 120.80 2k5h s LEU 74 Ca 0.20 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2k5h s LEU 74 Cb -0.14 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2k5h s LEU 74 CO 0.07 0.23 0.36 -1.81 0.23 0.00 0.00 176.35 175.43 2k5h s ASP 75 N -1.13 6.06 0.07 2.29 1.01 -1.26 -2.81 116.67 120.90 2k5h s ASP 75 Ca 0.10 -0.07 -0.31 0.00 0.71 0.00 0.00 52.55 52.98 2k5h s ASP 75 Cb -0.09 -1.59 -0.07 0.00 1.01 0.00 0.00 42.92 42.18 2k5h s ASP 75 CO 0.02 -0.17 1.34 -0.69 0.21 0.00 0.00 175.17 175.88 2k5h s VAL 76 N -2.07 3.60 0.00 -1.27 1.01 -1.26 -2.60 120.40 117.81 2k5h s VAL 76 Ca 0.37 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2k5h s VAL 76 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2k5h s VAL 76 CO 0.29 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2k5h n GLY 77 N 3.46 0.34 3.81 4.51 0.00 0.53 -5.02 105.19 112.81 2k5h n GLY 77 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.90 1.05 -0.07 1.61 0.41 -1.07 -4.77 118.70 114.96 2k5h s GLU 78 Ca 0.00 0.14 0.04 0.00 -0.41 0.00 0.00 54.97 54.74 2k5h s GLU 78 Cb 0.00 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 2k5h s GLU 78 CO 0.00 -2.23 -0.19 -1.21 -0.49 0.00 0.00 175.26 171.14 2k5h s GLU 79 N -5.43 2.19 0.15 1.61 2.02 -1.26 -0.41 118.70 117.58 2k5h s GLU 79 Ca 0.65 -0.67 0.09 0.00 0.02 0.00 0.00 54.97 55.07 2k5h s GLU 79 Cb -0.12 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 2k5h s GLU 79 CO 0.53 0.19 -0.21 0.14 0.02 0.00 0.00 175.26 175.93 2k5h s VAL 80 N 0.25 1.94 -0.22 2.63 -7.23 0.24 -0.77 120.40 117.24 2k5h s VAL 80 Ca -0.11 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 2k5h s VAL 80 Cb -0.15 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2k5h s VAL 80 CO 0.05 -0.19 0.14 -0.44 -0.31 0.00 0.00 175.10 174.35 2k5h s SER 81 N -2.46 6.08 -0.40 4.85 0.01 0.11 0.44 113.70 122.33 2k5h s SER 81 Ca 0.15 0.14 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 2k5h s SER 81 Cb -0.07 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.09 2k5h s SER 81 CO 0.07 0.11 1.16 -0.69 0.41 0.00 0.00 173.24 174.29 2k5h s VAL 82 N 0.81 4.28 -0.22 3.43 1.01 -0.76 -1.24 120.40 127.71 2k5h s VAL 82 Ca 0.07 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 2k5h s VAL 82 Cb -0.13 -4.46 -0.19 0.00 0.00 0.00 0.00 36.38 31.61 2k5h s VAL 82 CO 0.02 -0.75 -0.04 0.29 0.00 0.00 0.00 175.10 174.63 2k5h n LYS 83 N 7.46 0.65 -4.00 2.72 4.76 0.99 -0.91 118.16 129.84 2k5h n LYS 83 Ca 0.13 0.27 -0.14 0.00 -2.87 0.00 0.00 58.31 55.69 2k5h n LYS 83 Cb 0.48 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k5h n ALA 84 N -3.43 -0.48 -2.86 7.82 0.00 -0.67 -4.82 120.51 116.07 2k5h n ALA 84 Ca -0.42 -1.62 -0.29 0.00 0.00 0.00 0.00 53.44 51.11 2k5h n ALA 84 Cb 0.94 1.30 -0.16 0.00 0.00 0.00 0.00 19.45 21.53 2k5h n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 85 N -2.75 1.72 -0.57 0.00 1.01 -1.26 0.24 121.20 119.58 2k5h s ILE 85 Ca 0.28 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2k5h s ILE 85 Cb -0.01 -1.47 0.16 0.00 0.01 0.00 0.00 42.46 41.14 2k5h s ILE 85 CO 0.20 0.49 0.38 -0.70 0.00 0.00 0.00 174.94 175.31 2k5h s GLU 86 N -0.02 1.88 6.14 2.79 -6.30 0.15 -4.85 118.70 118.49 2k5h s GLU 86 Ca -0.05 -2.74 0.00 0.00 -2.50 0.00 0.00 54.97 49.68 2k5h s GLU 86 Cb -0.13 -2.85 0.00 0.00 0.00 0.00 0.00 34.13 31.15 2k5h s GLU 86 CO 0.03 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.47 2k5h n GLY 87 N 2.63 1.63 0.86 -1.50 0.00 -1.26 -1.16 105.19 106.38 2k5h n GLY 87 Ca 0.17 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 -3.87 1.61 3.14 -1.26 -4.95 118.33 113.00 2k5h n VAL 88 Ca 0.00 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.67 2k5h n VAL 88 Cb 0.00 1.44 -0.02 0.00 -1.06 0.00 0.00 33.84 34.20 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 -1.78 3.26 0.06 1.45 1.02 -0.31 -4.13 119.74 119.31 2k5h s LYS 89 Ca 0.25 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.41 2k5h s LYS 89 Cb 0.18 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2k5h s LYS 89 CO 0.27 0.33 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.41 2k5h s LEU 90 N -4.00 3.02 -0.38 3.17 1.43 0.13 0.32 118.68 122.36 2k5h s LEU 90 Ca 0.37 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2k5h s LEU 90 Cb -0.09 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2k5h s LEU 90 CO 0.29 0.23 0.37 -0.69 0.23 0.00 0.00 176.35 176.78 2k5h s VAL 91 N -1.09 5.16 0.28 -1.59 1.01 0.14 -0.00 120.40 124.30 2k5h s VAL 91 Ca 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2k5h s VAL 91 Cb -0.11 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2k5h s VAL 91 CO 0.10 -0.24 -0.10 0.68 0.00 0.00 0.00 175.10 175.54 2k5h s VAL 92 N 2.00 1.93 0.14 2.92 -7.23 -0.57 -0.00 120.40 119.59 2k5h s VAL 92 Ca 0.11 -2.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 2k5h s VAL 92 Cb -0.17 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2k5h s VAL 92 CO 0.12 -0.34 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.64 2k5h s GLU 93 N -3.65 1.03 0.06 4.82 -1.05 -0.37 -4.45 118.70 115.09 2k5h s GLU 93 Ca 0.29 -1.41 -0.23 0.00 -0.15 0.00 0.00 54.97 53.48 2k5h s GLU 93 Cb 0.01 -0.62 -0.06 0.00 -0.44 0.00 0.00 34.13 33.02 2k5h s GLU 93 CO 0.13 0.08 0.68 0.21 0.95 0.00 0.00 175.26 177.30 2k5h s LYS 94 N -3.58 4.40 0.29 -4.83 2.20 -1.26 0.08 119.74 117.03 2k5h s LYS 94 Ca 0.15 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 2k5h s LYS 94 Cb 0.02 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.93 2k5h s LYS 94 CO 0.01 0.45 1.14 -0.51 -0.36 0.00 0.00 175.35 176.08 2k5h s LEU 95 N -0.58 4.53 -0.26 5.43 1.02 0.05 -4.86 118.68 124.01 2k5h s LEU 95 Ca 0.34 2.35 -0.01 0.00 0.02 0.00 0.00 54.13 56.82 2k5h s LEU 95 Cb -0.20 -3.64 0.13 0.00 0.02 0.00 0.00 46.19 42.50 2k5h s LEU 95 CO 0.21 -0.22 0.33 -0.70 0.02 0.00 0.00 176.35 175.99 2k5h s GLU 96 N -1.52 0.32 0.19 1.70 2.12 -1.26 -4.82 118.70 115.43 2k5h s GLU 96 Ca 0.45 0.14 0.23 0.00 0.36 0.00 0.00 54.97 56.15 2k5h s GLU 96 Cb -0.33 -0.64 0.15 0.00 0.26 0.00 0.00 34.13 33.56 2k5h s GLU 96 CO 0.43 -0.87 1.18 0.93 -0.54 0.00 0.00 175.26 176.39 2k5h h GLU 97 N 8.23 0.00 -4.25 4.30 5.08 -2.02 -3.41 114.58 122.52 2k5h h GLU 97 Ca -0.15 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.46 2k5h h GLU 97 Cb 1.12 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.14 2k5h h GLU 97 CO 0.30 0.00 0.50 -1.14 -1.00 0.00 0.00 179.01 177.66 2k5h s GLN 98 N -3.28 3.74 -0.23 2.33 -0.44 -1.26 -4.80 119.66 115.71 2k5h s GLN 98 Ca 0.03 -2.37 0.14 0.00 -2.50 0.00 0.00 55.36 50.65 2k5h s GLN 98 Cb 0.11 -4.66 0.64 0.00 -1.64 0.00 0.00 33.01 27.46 2k5h s GLN 98 CO 0.76 -1.48 1.58 1.63 0.50 0.00 0.00 175.29 178.29 2k5h n LYS 99 N 4.73 3.47 0.00 1.67 5.02 -1.26 -5.06 118.16 126.73 2k5h n LYS 99 Ca 0.21 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 2k5h n LYS 99 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.22 -1.81 0.36 0.72 0.00 -1.26 -5.27 105.19 97.72 2k5h n GLY 100 Ca 0.28 -2.10 0.05 0.00 0.00 0.00 0.00 46.02 44.24 2k5h n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06