#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w s ASN 2 N 0.00 3.64 -0.49 6.12 -0.87 -1.26 -5.02 114.94 117.06 2k1w s ASN 2 Ca 0.00 -1.00 0.08 0.00 -1.57 0.00 0.00 52.86 50.37 2k1w s ASN 2 Cb 0.00 -1.33 0.34 0.00 -0.02 0.00 0.00 41.25 40.25 2k1w s ASN 2 CO 0.00 -0.15 0.86 0.00 -2.57 0.00 0.00 177.10 175.24 2k1w n ALA 3 N 4.62 3.60 -3.65 0.60 0.00 -1.26 -5.03 120.51 119.38 2k1w n ALA 3 Ca -0.15 -4.18 -0.06 0.00 0.00 0.00 0.00 53.44 49.05 2k1w n ALA 3 Cb 0.46 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w s ALA 4 N -3.05 -1.71 -0.29 0.00 0.00 -1.26 -5.13 121.76 110.32 2k1w s ALA 4 Ca 0.45 2.15 -0.03 0.00 0.00 0.00 0.00 51.96 54.53 2k1w s ALA 4 Cb 0.31 -1.45 0.11 0.00 0.00 0.00 0.00 23.12 22.09 2k1w s ALA 4 CO -0.12 -0.58 0.16 -1.21 0.00 0.00 0.00 175.76 174.02 2k1w s GLU 5 N 2.11 0.21 -0.45 0.00 2.02 -1.26 -4.61 118.70 116.72 2k1w s GLU 5 Ca -0.08 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.39 2k1w s GLU 5 Cb -0.09 -1.07 0.12 0.00 0.10 0.00 0.00 34.13 33.19 2k1w s GLU 5 CO -0.18 -1.02 0.30 0.08 0.02 0.00 0.00 175.26 174.47 2k1w s VAL 6 N 2.15 3.92 -0.26 2.63 1.01 -1.16 -4.55 120.40 124.14 2k1w s VAL 6 Ca 0.09 -1.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.13 2k1w s VAL 6 Cb -0.16 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2k1w s VAL 6 CO -0.36 -0.75 0.03 -0.51 0.00 0.00 0.00 175.10 173.51 2k1w s ILE 7 N 1.28 3.77 0.09 2.22 2.07 -1.26 -2.58 121.20 126.79 2k1w s ILE 7 Ca 0.07 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 2k1w s ILE 7 Cb -0.25 -2.86 -0.04 0.00 0.13 0.00 0.00 42.46 39.44 2k1w s ILE 7 CO -0.02 0.22 -0.06 0.68 -1.91 0.00 0.00 174.94 173.86 2k1w s VAL 8 N 1.50 0.62 -0.04 4.00 -7.23 -0.90 -3.30 120.40 115.04 2k1w s VAL 8 Ca 0.04 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2k1w s VAL 8 Cb -0.16 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2k1w s VAL 8 CO 0.01 -0.89 -0.25 -0.31 -0.31 0.00 0.00 175.10 173.34 2k1w s TYR 9 N -3.67 2.37 -0.35 2.82 1.51 0.93 -1.35 117.35 119.61 2k1w s TYR 9 Ca 0.11 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2k1w s TYR 9 Cb 0.06 -1.55 0.52 0.00 -0.11 0.00 0.00 41.96 40.88 2k1w s TYR 9 CO -0.06 -0.16 1.66 0.39 -1.11 0.00 0.00 175.55 176.28 2k1w n GLU 10 N 2.78 2.23 -1.83 -0.62 -0.58 -1.22 -3.43 120.64 117.97 2k1w n GLU 10 Ca -0.17 -2.30 0.00 0.00 -0.42 0.00 0.00 57.16 54.27 2k1w n GLU 10 Cb 0.52 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k1w n HIS 11 N -0.58 -0.18 -1.35 -0.32 -0.00 -1.26 -4.82 115.22 106.71 2k1w n HIS 11 Ca 0.42 -0.00 -0.34 0.00 0.46 0.00 0.00 57.72 58.26 2k1w n HIS 11 Cb 1.34 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 31.31 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k1w s VAL 12 N -2.18 2.35 0.11 3.57 0.11 -0.15 -3.15 120.40 121.06 2k1w s VAL 12 Ca 0.00 0.16 -0.32 0.00 -2.93 0.00 0.00 61.98 58.90 2k1w s VAL 12 Cb -0.00 -2.67 -0.11 0.00 -1.53 0.00 0.00 36.38 32.07 2k1w s VAL 12 CO -0.00 -0.10 1.59 -1.13 -3.33 0.00 0.00 175.10 172.13 2k1w h ASN 13 N -0.50 -1.23 -0.56 3.54 -0.73 -1.94 0.12 115.58 114.29 2k1w h ASN 13 Ca -0.47 0.13 -0.34 0.00 1.87 0.00 0.00 56.30 57.49 2k1w h ASN 13 Cb 1.29 0.45 -0.14 0.00 0.27 0.00 0.00 38.32 40.19 2k1w h ASN 13 CO 0.49 -0.51 0.35 2.22 -0.37 0.00 0.00 177.43 179.62 2k1w n PHE 14 N -5.47 1.41 0.00 0.67 1.16 -1.26 -3.90 117.46 110.06 2k1w n PHE 14 Ca -0.08 -1.89 0.00 0.00 -1.87 0.00 0.00 57.45 53.61 2k1w n PHE 14 Cb 0.39 -1.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.20 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k1w n GLY 15 N 0.62 0.00 3.30 4.97 0.00 -0.74 -5.17 105.19 108.18 2k1w n GLY 15 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 2k1w n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 16 N 0.00 0.69 0.17 -0.02 0.00 0.33 -3.81 107.32 104.68 2k1w s GLY 16 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 2k1w s GLY 16 CO 0.00 -0.99 0.57 -1.59 0.00 0.00 0.00 173.10 171.09 2k1w s LYS 17 N -4.01 3.99 -0.43 2.90 0.00 -1.26 -4.94 119.74 115.99 2k1w s LYS 17 Ca 0.21 0.51 -0.14 0.00 0.00 0.00 0.00 55.97 56.55 2k1w s LYS 17 Cb 0.04 -2.88 0.05 0.00 0.00 0.00 0.00 37.83 35.04 2k1w s LYS 17 CO 0.02 0.45 0.32 -1.54 0.00 0.00 0.00 175.35 174.60 2k1w s SER 18 N -1.79 6.02 -0.58 0.03 1.04 -1.26 -3.44 113.70 113.72 2k1w s SER 18 Ca 0.40 -1.15 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 2k1w s SER 18 Cb -0.15 -2.13 0.13 0.00 0.10 0.00 0.00 66.02 63.97 2k1w s SER 18 CO 0.19 -0.53 0.58 0.12 0.98 0.00 0.00 173.24 174.58 2k1w s PHE 19 N 1.62 3.23 -0.37 5.02 5.36 -0.46 -4.98 117.98 127.40 2k1w s PHE 19 Ca 0.04 -1.27 -0.04 0.00 -0.96 0.00 0.00 56.93 54.70 2k1w s PHE 19 Cb -0.22 -3.86 0.08 0.00 -0.34 0.00 0.00 43.02 38.69 2k1w s PHE 19 CO 0.07 -1.09 0.15 0.16 -1.46 0.00 0.00 175.22 173.05 2k1w s ASP 20 N 3.49 5.23 0.12 6.13 -4.77 -1.26 -2.12 116.67 123.49 2k1w s ASP 20 Ca 0.07 -1.65 -0.25 0.00 -3.30 0.00 0.00 52.55 47.41 2k1w s ASP 20 Cb -0.27 -1.83 0.07 0.00 -1.09 0.00 0.00 42.92 39.80 2k1w s ASP 20 CO 0.03 -0.45 0.86 0.00 0.70 0.00 0.00 175.17 176.31 2k1w s ALA 21 N 1.25 -1.65 0.69 2.11 0.00 -1.07 -4.98 121.76 118.12 2k1w s ALA 21 Ca 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 2k1w s ALA 21 Cb -0.22 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2k1w s ALA 21 CO -0.02 -0.89 0.18 0.25 0.00 0.00 0.00 175.76 175.29 2k1w n THR 22 N -0.38 0.00 -2.06 0.00 -2.24 -1.26 -3.01 114.28 105.32 2k1w n THR 22 Ca -0.08 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 2k1w n THR 22 Cb 0.61 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.23 2k1w n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k1w s SER 23 N -1.70 5.69 0.00 3.42 1.04 -1.26 -4.05 113.70 116.84 2k1w s SER 23 Ca 0.11 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2k1w s SER 23 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2k1w s SER 23 CO 0.08 -1.95 0.00 -0.67 0.98 0.00 0.00 173.24 171.68 2k1w n ASP 24 N 11.11 0.00 -4.87 7.02 -0.08 -1.26 -5.15 116.55 123.32 2k1w n ASP 24 Ca 0.21 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.18 2k1w n ASP 24 Cb 0.49 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.97 2k1w n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1w s GLN 25 N -0.66 3.32 -0.28 -0.67 -2.07 -1.26 -4.94 119.66 113.10 2k1w s GLN 25 Ca 0.00 0.67 -0.06 0.00 -1.82 0.00 0.00 55.36 54.15 2k1w s GLN 25 Cb 0.00 -2.06 -0.20 0.00 -1.09 0.00 0.00 33.01 29.67 2k1w s GLN 25 CO 0.00 -0.75 3.42 -0.35 -1.32 0.00 0.00 175.29 176.29 2k1w n PRO 26 N -2.86 2.31 0.00 9.60 -0.04 -1.26 -4.92 135.00 137.83 2k1w n PRO 26 Ca 0.06 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 2k1w n PRO 26 Cb 0.55 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2k1w n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1w n GLY 27 N 2.41 0.30 3.15 0.55 0.00 -1.25 -4.59 105.19 105.76 2k1w n GLY 27 Ca 0.48 0.67 -0.10 0.00 0.00 0.00 0.00 46.02 47.07 2k1w n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1w s ALA 28 N -1.00 -0.17 -0.29 4.61 0.00 -1.26 -4.87 121.76 118.78 2k1w s ALA 28 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2k1w s ALA 28 Cb 0.00 0.29 0.20 0.00 0.00 0.00 0.00 23.12 23.60 2k1w s ALA 28 CO 0.00 -0.36 0.60 0.20 0.00 0.00 0.00 175.76 176.20 2k1w s GLY 29 N -2.22 -1.14 -0.14 0.00 0.00 -1.26 -4.30 107.32 98.26 2k1w s GLY 29 Ca -0.03 1.45 -0.29 0.00 0.00 0.00 0.00 44.72 45.84 2k1w s GLY 29 CO -0.05 3.55 0.78 0.51 0.00 0.00 0.00 173.10 177.88 2k1w s ASP 30 N 2.85 -0.61 -0.42 1.64 -4.77 -1.26 -5.11 116.67 108.98 2k1w s ASP 30 Ca 0.15 0.85 -0.22 0.00 -3.30 0.00 0.00 52.55 50.03 2k1w s ASP 30 Cb -0.12 0.74 0.02 0.00 -1.09 0.00 0.00 42.92 42.47 2k1w s ASP 30 CO -0.24 -0.44 0.73 0.54 0.70 0.00 0.00 175.17 176.47 2k1w s ASN 31 N -0.69 6.41 -0.01 2.11 4.22 -1.26 -4.47 114.94 121.26 2k1w s ASN 31 Ca -0.06 -0.06 -0.28 0.00 -2.14 0.00 0.00 52.86 50.32 2k1w s ASN 31 Cb -0.02 -2.36 0.09 0.00 1.28 0.00 0.00 41.25 40.24 2k1w s ASN 31 CO 0.05 -0.81 1.28 -0.22 -2.04 0.00 0.00 177.10 175.35 2k1w s LEU 32 N 3.07 0.01 0.31 3.54 2.96 -1.20 -5.06 118.68 122.31 2k1w s LEU 32 Ca 0.28 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.86 2k1w s LEU 32 Cb -0.13 1.33 -0.07 0.00 0.50 0.00 0.00 46.19 47.82 2k1w s LEU 32 CO 0.20 -0.31 0.67 0.54 -1.32 0.00 0.00 176.35 176.13 2k1w s ASN 33 N -3.84 6.63 -1.10 3.68 2.20 -1.26 0.25 114.94 121.50 2k1w s ASN 33 Ca 0.30 1.08 -0.17 0.00 -0.94 0.00 0.00 52.86 53.13 2k1w s ASN 33 Cb -0.01 -2.30 -0.07 0.00 -2.00 0.00 0.00 41.25 36.88 2k1w s ASN 33 CO -0.00 -0.22 2.12 0.47 -2.94 0.00 0.00 177.10 176.53 2k1w n ASP 34 N -0.60 3.57 -3.19 3.54 8.00 -1.26 -3.99 116.55 122.62 2k1w n ASP 34 Ca 0.02 -2.71 -0.15 0.00 0.71 0.00 0.00 54.79 52.65 2k1w n ASP 34 Cb 0.53 -1.35 0.10 0.00 -0.02 0.00 0.00 41.12 40.38 2k1w n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k1w n LYS 35 N 6.25 -0.41 -1.61 -1.24 4.01 -1.26 -4.47 118.16 119.43 2k1w n LYS 35 Ca 0.52 -1.28 -0.50 0.00 -0.51 0.00 0.00 58.31 56.54 2k1w n LYS 35 Cb 0.37 -0.63 -0.05 0.00 -0.51 0.00 0.00 35.03 34.21 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2k1w n ILE 36 N -2.75 0.31 -4.22 -0.18 3.06 -1.26 -4.86 119.36 109.46 2k1w n ILE 36 Ca 0.09 -0.08 -0.18 0.00 -2.50 0.00 0.00 62.75 60.08 2k1w n ILE 36 Cb 0.33 -0.98 -0.11 0.00 0.54 0.00 0.00 39.64 39.41 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2k1w s SER 37 N 0.41 1.90 -0.36 9.51 0.15 -1.25 -0.98 113.70 123.08 2k1w s SER 37 Ca 0.79 -0.74 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 2k1w s SER 37 Cb -0.86 -0.06 0.08 0.00 -1.71 0.00 0.00 66.02 63.47 2k1w s SER 37 CO 0.47 -0.12 0.12 -0.55 1.20 0.00 0.00 173.24 174.36 2k1w s SER 38 N -2.19 5.10 -0.35 5.45 0.15 -1.19 -4.23 113.70 116.45 2k1w s SER 38 Ca 0.05 -1.70 -0.05 0.00 0.70 0.00 0.00 55.95 54.95 2k1w s SER 38 Cb -0.07 -1.78 0.06 0.00 -1.71 0.00 0.00 66.02 62.52 2k1w s SER 38 CO 0.03 -0.42 0.11 -0.63 1.20 0.00 0.00 173.24 173.53 2k1w s ILE 39 N 1.19 3.50 -0.32 6.45 1.09 -0.91 -0.05 121.20 132.16 2k1w s ILE 39 Ca 0.03 -1.42 -0.00 0.00 -1.10 0.00 0.00 60.65 58.15 2k1w s ILE 39 Cb -0.21 -3.09 0.10 0.00 -1.06 0.00 0.00 42.46 38.20 2k1w s ILE 39 CO -0.03 -0.30 0.10 -0.75 -0.10 0.00 0.00 174.94 173.86 2k1w s LYS 40 N 1.31 0.80 0.01 2.79 2.20 -1.21 -1.80 119.74 123.84 2k1w s LYS 40 Ca -0.00 -1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 54.32 2k1w s LYS 40 Cb -0.21 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 2k1w s LYS 40 CO 0.00 -0.99 0.22 0.08 -0.36 0.00 0.00 175.35 174.30 2k1w s VAL 41 N 1.51 0.08 -0.40 4.02 1.01 -1.25 -4.05 120.40 121.33 2k1w s VAL 41 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2k1w s VAL 41 Cb -0.18 -0.69 0.14 0.00 0.00 0.00 0.00 36.38 35.66 2k1w s VAL 41 CO -0.23 -0.38 0.24 -0.54 0.00 0.00 0.00 175.10 174.19 2k1w s LYS 42 N -1.86 0.88 -0.30 2.72 1.02 -1.26 -2.07 119.74 118.86 2k1w s LYS 42 Ca -0.10 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 2k1w s LYS 42 Cb -0.04 -1.70 0.19 0.00 -0.52 0.00 0.00 37.83 35.76 2k1w s LYS 42 CO 0.00 -1.22 0.80 -1.54 -0.92 0.00 0.00 175.35 172.47 2k1w s SER 43 N 0.64 -1.08 0.82 2.83 1.04 -1.26 -4.92 113.70 111.77 2k1w s SER 43 Ca 0.20 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2k1w s SER 43 Cb -0.19 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.57 2k1w s SER 43 CO -0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2k1w n GLY 44 N 5.12 2.66 3.34 7.32 0.00 -1.25 -4.42 105.19 117.96 2k1w n GLY 44 Ca 0.07 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2k1w n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1w s THR 45 N 0.00 1.97 0.02 2.61 -4.23 -1.12 -3.26 115.64 111.63 2k1w s THR 45 Ca 0.00 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 2k1w s THR 45 Cb 0.00 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 2k1w s THR 45 CO 0.00 -0.01 -0.10 0.26 -0.54 0.00 0.00 174.62 174.23 2k1w s TRP 46 N -1.19 0.86 -0.29 3.99 0.51 -0.95 -0.10 118.94 121.79 2k1w s TRP 46 Ca 0.11 -0.30 -0.10 0.00 -2.12 0.00 0.00 56.10 53.68 2k1w s TRP 46 Cb -0.10 -0.52 -0.03 0.00 -0.81 0.00 0.00 33.47 32.01 2k1w s TRP 46 CO 0.05 -0.01 0.16 1.03 -0.51 0.00 0.00 176.95 177.67 2k1w s ARG 47 N -0.88 3.71 -0.13 4.98 3.00 -0.79 -1.85 118.95 127.00 2k1w s ARG 47 Ca -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 55.73 55.21 2k1w s ARG 47 Cb -0.06 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.27 2k1w s ARG 47 CO 0.00 -0.26 0.03 -0.06 0.00 0.00 0.00 175.30 175.01 2k1w s PHE 48 N 1.70 3.21 -0.28 -0.53 0.08 0.11 -2.78 117.98 119.49 2k1w s PHE 48 Ca 0.06 0.10 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 2k1w s PHE 48 Cb -0.16 -1.93 0.09 0.00 -0.57 0.00 0.00 43.02 40.45 2k1w s PHE 48 CO 0.08 0.31 0.69 1.52 -0.10 0.00 0.00 175.22 177.72 2k1w s TYR 49 N -0.27 -1.09 -1.25 0.36 -0.85 -1.04 -0.29 117.35 112.92 2k1w s TYR 49 Ca 0.07 2.14 -0.07 0.00 -0.52 0.00 0.00 57.07 58.69 2k1w s TYR 49 Cb -0.12 0.65 0.18 0.00 0.38 0.00 0.00 41.96 43.05 2k1w s TYR 49 CO 0.02 -0.54 1.95 0.39 -1.52 0.00 0.00 175.55 175.85 2k1w n GLU 50 N 4.43 4.13 -3.07 -3.49 4.71 -1.26 -1.13 120.64 124.95 2k1w n GLU 50 Ca -0.19 -3.73 0.00 0.00 -0.01 0.00 0.00 57.16 53.23 2k1w n GLU 50 Cb 0.58 -2.76 0.00 0.00 -1.01 0.00 0.00 31.44 28.25 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2k1w n TYR 51 N 2.66 0.00 -0.32 -0.32 4.01 -0.49 -4.63 117.16 118.06 2k1w n TYR 51 Ca 0.44 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.90 2k1w n TYR 51 Cb 0.32 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.62 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1w n ILE 52 N 0.64 0.00 0.15 -0.72 -5.35 -1.23 -4.24 119.36 108.62 2k1w n ILE 52 Ca 0.00 -0.12 0.05 0.00 -0.27 0.00 0.00 62.75 62.41 2k1w n ILE 52 Cb 0.00 -0.92 0.22 0.00 -1.74 0.00 0.00 39.64 37.20 2k1w n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1w n ASN 53 N -4.98 3.26 -2.67 7.28 5.15 -1.26 -4.04 115.26 118.00 2k1w n ASN 53 Ca 0.10 -2.34 -0.02 0.00 -0.60 0.00 0.00 54.58 51.72 2k1w n ASN 53 Cb 0.56 -0.49 0.13 0.00 -0.53 0.00 0.00 39.78 39.45 2k1w n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1w n TYR 54 N 0.53 -1.97 0.00 1.20 4.11 -1.26 -5.02 117.16 114.75 2k1w n TYR 54 Ca 0.16 -1.73 0.00 0.00 -0.00 0.00 0.00 57.90 56.33 2k1w n TYR 54 Cb 0.65 1.51 0.00 0.00 -0.00 0.00 0.00 39.34 41.50 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k1w n GLY 55 N -1.53 -1.82 2.10 -7.48 0.00 -1.26 -5.18 105.19 90.03 2k1w n GLY 55 Ca -0.17 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 2k1w n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1w n GLY 56 N 0.00 1.41 3.57 -0.02 0.00 -1.26 -4.10 105.19 104.80 2k1w n GLY 56 Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2k1w n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1w s ARG 57 N -2.05 3.34 -0.06 1.61 1.04 -1.26 -4.99 118.95 116.57 2k1w s ARG 57 Ca 0.09 0.16 -0.29 0.00 -1.04 0.00 0.00 55.73 54.66 2k1w s ARG 57 Cb -0.03 -4.10 -0.02 0.00 -2.04 0.00 0.00 34.95 28.76 2k1w s ARG 57 CO 0.07 -1.92 0.94 -0.47 -0.04 0.00 0.00 175.30 173.88 2k1w s TYR 58 N 5.58 3.57 -0.28 5.89 5.04 -1.26 -3.89 117.35 132.00 2k1w s TYR 58 Ca 0.44 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.64 2k1w s TYR 58 Cb -0.09 -3.10 0.17 0.00 0.35 0.00 0.00 41.96 39.29 2k1w s TYR 58 CO 0.22 -0.10 0.46 -0.46 -1.34 0.00 0.00 175.55 174.33 2k1w s TRP 59 N 1.48 -1.22 0.25 4.97 -0.00 0.60 -5.00 118.94 120.01 2k1w s TRP 59 Ca 0.48 0.77 0.06 0.00 -0.00 0.00 0.00 56.10 57.41 2k1w s TRP 59 Cb -0.19 0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 33.32 2k1w s TRP 59 CO 0.21 -0.94 0.25 0.16 -0.00 0.00 0.00 176.95 176.64 2k1w s ASP 60 N 2.64 5.77 0.15 5.86 -4.77 -1.26 0.09 116.67 125.16 2k1w s ASP 60 Ca 0.12 -0.16 -0.21 0.00 -3.30 0.00 0.00 52.55 49.00 2k1w s ASP 60 Cb -0.13 -1.54 0.06 0.00 -1.09 0.00 0.00 42.92 40.23 2k1w s ASP 60 CO -0.25 -0.06 0.55 -1.48 0.70 0.00 0.00 175.17 174.63 2k1w s LEU 61 N -3.89 -0.32 0.00 2.11 0.05 -0.77 -4.95 118.68 110.91 2k1w s LEU 61 Ca 0.33 -0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.42 2k1w s LEU 61 Cb -0.08 2.41 0.00 0.00 -2.05 0.00 0.00 46.19 46.47 2k1w s LEU 61 CO 0.26 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.73 2k1w n GLY 62 N -0.34 -0.30 3.57 -3.48 0.00 -1.26 -2.23 105.19 101.14 2k1w n GLY 62 Ca -0.17 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 2k1w n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1w s PRO 63 N -0.59 2.97 0.01 1.61 0.04 -1.20 -4.84 135.00 132.99 2k1w s PRO 63 Ca 0.00 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 2k1w s PRO 63 Cb 0.00 -4.28 0.10 0.00 0.04 0.00 0.00 34.50 30.36 2k1w s PRO 63 CO 0.00 -2.32 0.86 0.20 0.04 0.00 0.00 177.00 175.77 2k1w s GLY 64 N 6.68 -0.48 -0.01 0.56 0.00 -0.88 -4.91 107.32 108.28 2k1w s GLY 64 Ca 0.66 1.00 0.02 0.00 0.00 0.00 0.00 44.72 46.40 2k1w s GLY 64 CO 0.25 0.35 -0.03 1.85 0.00 0.00 0.00 173.10 175.52 2k1w s GLU 65 N -3.08 2.71 0.16 2.90 -6.30 -1.26 -3.77 118.70 110.06 2k1w s GLU 65 Ca 0.04 -0.63 -0.23 0.00 -2.50 0.00 0.00 54.97 51.65 2k1w s GLU 65 Cb -0.01 -2.61 0.07 0.00 0.00 0.00 0.00 34.13 31.58 2k1w s GLU 65 CO -0.09 0.63 0.61 1.52 0.02 0.00 0.00 175.26 177.95 2k1w s TYR 66 N -1.01 -0.52 -0.47 5.30 1.13 -0.74 -5.00 117.35 116.03 2k1w s TYR 66 Ca 0.17 0.31 0.06 0.00 -1.41 0.00 0.00 57.07 56.20 2k1w s TYR 66 Cb -0.11 0.57 0.27 0.00 -1.10 0.00 0.00 41.96 41.58 2k1w s TYR 66 CO 0.08 -0.86 0.95 -1.13 -2.51 0.00 0.00 175.55 172.08 2k1w n SER 67 N -0.38 -2.47 -4.56 -0.18 3.41 -1.26 -2.13 113.62 106.06 2k1w n SER 67 Ca -0.16 -3.41 -0.27 0.00 -0.26 0.00 0.00 58.87 54.77 2k1w n SER 67 Cb 0.65 1.69 0.12 0.00 -0.26 0.00 0.00 64.21 66.41 2k1w n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1w s SER 68 N -1.55 4.04 0.00 4.04 0.01 -1.26 -4.86 113.70 114.12 2k1w s SER 68 Ca 0.29 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2k1w s SER 68 Cb 0.25 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2k1w s SER 68 CO -0.17 -2.10 0.64 0.55 0.41 0.00 0.00 173.24 172.57 2k1w n VAL 69 N -3.21 0.00 -1.77 3.43 3.14 -1.26 -3.87 118.33 114.79 2k1w n VAL 69 Ca 0.13 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.47 2k1w n VAL 69 Cb 0.60 0.17 -0.04 0.00 -1.06 0.00 0.00 33.84 33.52 2k1w n VAL 69 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k1w n GLU 70 N 0.00 0.00 -0.52 1.45 0.28 -1.26 -4.88 120.64 115.72 2k1w n GLU 70 Ca 0.00 -0.52 -0.00 0.00 -0.16 0.00 0.00 57.16 56.48 2k1w n GLU 70 Cb 0.56 0.43 -0.00 0.00 1.43 0.00 0.00 31.44 33.87 2k1w n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1w n SER 71 N 0.00 -0.01 -0.60 -1.84 2.88 -1.26 -4.89 113.62 107.90 2k1w n SER 71 Ca -0.15 -1.39 0.01 0.00 -1.33 0.00 0.00 58.87 56.02 2k1w n SER 71 Cb 0.49 -0.07 0.02 0.00 -0.75 0.00 0.00 64.21 63.90 2k1w n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1w n ALA 72 N 0.00 2.10 -1.78 -1.46 0.00 -1.26 -5.09 120.51 113.02 2k1w n ALA 72 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2k1w n ALA 72 Cb 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2k1w n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1w n GLY 73 N -0.07 -4.97 2.61 0.00 0.00 -1.26 -4.94 105.19 96.57 2k1w n GLY 73 Ca 0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2k1w n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1w n ILE 74 N 1.37 3.06 -0.06 -0.61 5.41 -1.26 -4.86 119.36 122.41 2k1w n ILE 74 Ca 0.00 -5.43 -0.04 0.00 1.00 0.00 0.00 62.75 58.29 2k1w n ILE 74 Cb 0.00 -1.93 -0.01 0.00 -0.71 0.00 0.00 39.64 36.99 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2k1w h PRO 75 N 4.08 0.00 -0.58 0.38 0.11 -1.92 -3.45 132.00 130.62 2k1w h PRO 75 Ca 0.20 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.55 2k1w h PRO 75 Cb 0.61 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.40 2k1w h PRO 75 CO 0.91 0.00 0.70 0.34 -0.21 0.00 0.00 178.00 179.74 2k1w s ASP 76 N -5.62 -0.01 -1.30 -2.05 2.15 -1.26 -4.61 116.67 103.96 2k1w s ASP 76 Ca -0.12 0.02 -0.08 0.00 0.43 0.00 0.00 52.55 52.79 2k1w s ASP 76 Cb 0.02 1.01 -0.09 0.00 -0.30 0.00 0.00 42.92 43.55 2k1w s ASP 76 CO 0.18 -0.00 2.75 -3.20 -0.17 0.00 0.00 175.17 174.73 2k1w n ASN 77 N 3.67 7.38 -4.46 -0.34 5.15 0.14 -4.46 115.26 122.34 2k1w n ASN 77 Ca -0.12 -2.48 -0.32 0.00 -0.60 0.00 0.00 54.58 51.06 2k1w n ASN 77 Cb 0.56 -1.41 -0.13 0.00 -0.53 0.00 0.00 39.78 38.27 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2k1w s SER 78 N 2.51 3.88 -1.28 1.20 0.15 -1.24 -3.25 113.70 115.66 2k1w s SER 78 Ca 0.61 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.87 2k1w s SER 78 Cb 0.17 -0.73 0.06 0.00 -1.71 0.00 0.00 66.02 63.81 2k1w s SER 78 CO -0.05 0.31 0.47 -0.38 1.20 0.00 0.00 173.24 174.79 2k1w n ILE 79 N 2.03 -1.04 -2.92 6.45 5.41 -1.26 -3.88 119.36 124.15 2k1w n ILE 79 Ca -0.17 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.25 2k1w n ILE 79 Cb 0.52 -1.93 -0.07 0.00 -0.71 0.00 0.00 39.64 37.45 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2k1w s SER 80 N -2.68 6.91 -0.12 4.38 0.01 -1.26 -1.40 113.70 119.55 2k1w s SER 80 Ca 0.37 1.57 -0.29 0.00 1.31 0.00 0.00 55.95 58.91 2k1w s SER 80 Cb -0.19 -2.49 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2k1w s SER 80 CO 0.45 -0.29 0.70 -0.44 0.41 0.00 0.00 173.24 174.07 2k1w s SER 81 N -2.16 -0.68 -0.16 2.44 0.01 -0.28 -4.34 113.70 108.51 2k1w s SER 81 Ca 0.59 0.93 -0.09 0.00 1.31 0.00 0.00 55.95 58.68 2k1w s SER 81 Cb -0.10 0.81 0.06 0.00 0.21 0.00 0.00 66.02 67.00 2k1w s SER 81 CO 0.15 -0.50 0.39 0.72 0.41 0.00 0.00 173.24 174.42 2k1w s PHE 82 N -0.72 -0.57 -0.10 2.43 -0.71 -1.26 -2.49 117.98 114.56 2k1w s PHE 82 Ca -0.08 1.23 0.01 0.00 -1.04 0.00 0.00 56.93 57.05 2k1w s PHE 82 Cb -0.01 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2k1w s PHE 82 CO 0.07 -0.32 -0.12 1.03 -1.34 0.00 0.00 175.22 174.54 2k1w s ARG 83 N 1.30 3.06 -0.15 1.99 1.81 -1.12 -3.80 118.95 122.05 2k1w s ARG 83 Ca -0.09 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.17 2k1w s ARG 83 Cb -0.08 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 31.79 2k1w s ARG 83 CO -0.11 0.40 0.20 -0.65 -0.68 0.00 0.00 175.30 174.46 2k1w s GLN 84 N -0.14 3.98 0.00 3.54 1.11 -1.26 -1.88 119.66 125.01 2k1w s GLN 84 Ca -0.00 -0.06 0.20 0.00 0.01 0.00 0.00 55.36 55.51 2k1w s GLN 84 Cb -0.13 -3.34 0.16 0.00 -1.01 0.00 0.00 33.01 28.68 2k1w s GLN 84 CO 0.03 0.45 1.13 -0.89 0.01 0.00 0.00 175.29 176.02