#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r n GLY 3 N 0.58 1.56 1.55 0.00 0.00 -1.25 -4.89 105.19 102.74 2k4r n GLY 3 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2k4r n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r n ALA 4 N -0.87 2.81 0.00 4.61 0.00 -1.26 -4.92 120.51 120.88 2k4r n ALA 4 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 2k4r n ALA 4 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2k4r n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4r n GLY 5 N -0.07 0.98 0.09 0.00 0.00 -1.26 -5.02 105.19 99.92 2k4r n GLY 5 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2k4r n GLY 5 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k4r h GLU 6 N 0.00 0.15 -6.33 1.61 9.09 -1.91 -3.46 114.58 113.73 2k4r h GLU 6 Ca 0.00 -0.25 -0.65 0.00 0.05 0.00 0.00 59.36 58.51 2k4r h GLU 6 Cb 0.00 0.09 0.06 0.00 -1.65 0.00 0.00 28.75 27.26 2k4r h GLU 6 CO 0.00 0.99 0.45 -0.35 0.05 0.00 0.00 179.01 180.14 2k4r n PRO 7 N -3.36 1.31 -4.38 1.06 -0.04 -1.26 -4.43 135.00 123.90 2k4r n PRO 7 Ca -0.12 0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 63.60 2k4r n PRO 7 Cb 1.02 -2.09 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 2k4r n PRO 7 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2k4r s TRP 8 N 0.30 1.38 0.11 0.54 -0.00 -1.26 -4.92 118.94 115.09 2k4r s TRP 8 Ca 0.80 -0.37 -0.30 0.00 -0.00 0.00 0.00 56.10 56.22 2k4r s TRP 8 Cb -0.88 -0.81 -0.09 0.00 -0.00 0.00 0.00 33.47 31.69 2k4r s TRP 8 CO 0.48 0.06 1.60 0.78 -0.00 0.00 0.00 176.95 179.87 2k4r h GLY 9 N 4.78 -0.74 -4.31 5.86 0.00 -1.93 -2.99 103.07 103.74 2k4r h GLY 9 Ca -0.40 0.44 -0.64 0.00 0.00 0.00 0.00 47.33 46.73 2k4r h GLY 9 CO 0.43 -0.27 -0.00 0.70 0.00 0.00 0.00 176.54 177.41 2k4r n ASN 10 N -5.45 6.06 -3.60 0.19 5.03 -1.26 -1.63 115.26 114.60 2k4r n ASN 10 Ca -0.07 -3.77 -0.12 0.00 0.87 0.00 0.00 54.58 51.48 2k4r n ASN 10 Cb 0.36 -0.68 -0.05 0.00 -1.02 0.00 0.00 39.78 38.39 2k4r n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k4r s ALA 11 N -3.74 -1.15 -0.74 5.41 0.00 -1.13 -0.68 121.76 119.74 2k4r s ALA 11 Ca 0.53 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 2k4r s ALA 11 Cb 0.44 0.51 -0.15 0.00 0.00 0.00 0.00 23.12 23.92 2k4r s ALA 11 CO -0.14 -0.56 1.92 0.25 0.00 0.00 0.00 175.76 177.23 2k4r n THR 12 N 0.18 1.79 0.00 0.00 -2.24 0.74 -4.27 114.28 110.48 2k4r n THR 12 Ca -0.18 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 2k4r n THR 12 Cb 0.62 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 2k4r n THR 12 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k4r n ASN 13 N 6.91 0.00 -1.15 3.42 0.23 -1.26 -1.28 115.26 122.14 2k4r n ASN 13 Ca 0.47 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.62 2k4r n ASN 13 Cb 0.35 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.32 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2k4r n LEU 14 N 0.00 3.66 0.00 -4.53 7.94 -1.26 -4.41 117.00 118.40 2k4r n LEU 14 Ca 0.00 -1.99 0.00 0.00 -1.11 0.00 0.00 56.01 52.91 2k4r n LEU 14 Cb 0.00 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.54 2k4r n LEU 14 CO 0.00 0.91 0.00 0.61 -1.11 0.00 0.00 177.39 177.80 2k4r n GLY 15 N 1.32 0.72 3.49 -3.96 0.00 -0.40 -5.11 105.19 101.25 2k4r n GLY 15 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2k4r n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4r s VAL 16 N 0.58 3.40 0.45 1.61 1.01 -1.26 -4.77 120.40 121.41 2k4r s VAL 16 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 2k4r s VAL 16 Cb 0.00 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 2k4r s VAL 16 CO 0.00 0.57 1.44 -2.65 0.00 0.00 0.00 175.10 174.46 2k4r n PRO 17 N 2.72 2.29 -2.81 2.72 -0.02 -1.25 -0.18 135.00 138.47 2k4r n PRO 17 Ca -0.18 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 2k4r n PRO 17 Cb 0.53 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 2k4r n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4r s LEU 19 N -0.85 3.33 0.13 0.00 2.96 0.22 -4.81 118.68 119.65 2k4r s LEU 19 Ca 0.41 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.47 2k4r s LEU 19 Cb -0.24 -3.28 -0.07 0.00 0.50 0.00 0.00 46.19 43.10 2k4r s LEU 19 CO 0.30 -1.01 1.07 -1.00 -1.32 0.00 0.00 176.35 174.39 2k4r s HIS 20 N -2.84 3.63 0.26 5.38 3.76 -1.26 -4.52 115.29 119.69 2k4r s HIS 20 Ca 0.53 1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 57.02 2k4r s HIS 20 Cb -0.10 -3.23 0.33 0.00 1.11 0.00 0.00 32.58 30.69 2k4r s HIS 20 CO 0.42 -0.45 1.81 -1.49 -0.85 0.00 0.00 174.74 174.17 2k4r h TRP 21 N 5.60 0.96 -0.00 1.40 4.06 -1.23 -0.99 115.95 125.75 2k4r h TRP 21 Ca -0.43 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.43 2k4r h TRP 21 Cb 1.21 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 2k4r h TRP 21 CO 0.64 0.78 -0.19 -3.47 -3.56 0.00 0.00 178.44 172.64 2k4r n ASP 22 N -4.27 0.27 -1.32 -3.49 2.03 -0.28 -3.24 116.55 106.24 2k4r n ASP 22 Ca 0.05 0.01 0.10 0.00 0.52 0.00 0.00 54.79 55.46 2k4r n ASP 22 Cb 0.22 -0.15 0.31 0.00 -0.72 0.00 0.00 41.12 40.78 2k4r n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4r n GLU 23 N -1.38 3.19 -2.34 -0.67 -0.58 -0.40 -4.91 120.64 113.54 2k4r n GLU 23 Ca 0.08 -2.68 -0.43 0.00 -0.42 0.00 0.00 57.16 53.72 2k4r n GLU 23 Cb 0.32 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 2k4r n GLU 23 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2k4r s VAL 24 N -1.44 4.14 0.43 2.62 1.01 -1.04 -4.86 120.40 121.26 2k4r s VAL 24 Ca 0.46 1.37 -0.25 0.00 0.00 0.00 0.00 61.98 63.56 2k4r s VAL 24 Cb 0.27 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 2k4r s VAL 24 CO 0.26 -0.12 1.27 -2.16 0.00 0.00 0.00 175.10 174.35 2k4r s PRO 25 N 3.62 3.82 0.64 2.72 0.04 -1.26 -4.91 135.00 139.67 2k4r s PRO 25 Ca 0.59 2.07 0.36 0.00 0.04 0.00 0.00 61.00 64.06 2k4r s PRO 25 Cb -0.24 -2.61 2.04 0.00 0.04 0.00 0.00 34.50 33.73 2k4r s PRO 25 CO 0.18 -0.59 2.23 -1.00 0.04 0.00 0.00 177.00 177.86 2k4r h PRO 26 N 2.38 0.00 -4.16 0.56 0.13 -2.00 -3.27 132.00 125.65 2k4r h PRO 26 Ca -0.50 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.87 2k4r h PRO 26 Cb 1.25 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 2k4r h PRO 26 CO 0.61 0.00 0.15 -0.06 -0.23 0.00 0.00 178.00 178.47 2k4r s PHE 27 N -4.33 3.48 -0.15 1.56 0.40 -1.26 -5.03 117.98 112.65 2k4r s PHE 27 Ca -0.05 -1.65 -0.03 0.00 -0.60 0.00 0.00 56.93 54.59 2k4r s PHE 27 Cb 0.13 -3.91 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 2k4r s PHE 27 CO 0.44 -1.11 -0.03 -1.17 0.70 0.00 0.00 175.22 174.05 2k4r s LEU 28 N 1.10 3.29 0.07 -0.37 2.96 -1.23 -5.02 118.68 119.47 2k4r s LEU 28 Ca 0.17 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 2k4r s LEU 28 Cb -0.15 -1.79 -0.11 0.00 0.50 0.00 0.00 46.19 44.65 2k4r s LEU 28 CO -0.05 0.19 1.41 -0.33 -1.32 0.00 0.00 176.35 176.25 2k4r h GLU 29 N 6.53 0.49 -6.70 1.98 5.08 -1.92 -3.43 114.58 116.60 2k4r h GLU 29 Ca -0.33 -0.23 -0.50 0.00 -1.00 0.00 0.00 59.36 57.30 2k4r h GLU 29 Cb 1.19 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2k4r h GLU 29 CO 0.62 0.79 0.12 1.03 -1.00 0.00 0.00 179.01 180.57 2k4r s ARG 30 N -4.48 4.11 -0.24 2.33 1.81 -1.25 -5.06 118.95 116.17 2k4r s ARG 30 Ca -0.13 0.78 -0.13 0.00 -1.72 0.00 0.00 55.73 54.52 2k4r s ARG 30 Cb 0.07 -2.57 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2k4r s ARG 30 CO 0.77 0.22 0.30 0.45 -0.68 0.00 0.00 175.30 176.36 2k4r s SER 31 N -2.05 6.25 0.40 0.23 0.15 -1.26 -4.94 113.70 112.48 2k4r s SER 31 Ca 0.51 0.28 -0.23 0.00 0.70 0.00 0.00 55.95 57.21 2k4r s SER 31 Cb -0.12 -2.18 -0.10 0.00 -1.71 0.00 0.00 66.02 61.91 2k4r s SER 31 CO 0.18 -0.06 1.00 -2.16 1.20 0.00 0.00 173.24 173.41 2k4r s PRO 32 N 1.48 4.21 0.58 5.44 0.04 -1.26 -4.95 135.00 140.54 2k4r s PRO 32 Ca 0.13 1.36 0.33 0.00 0.04 0.00 0.00 61.00 62.86 2k4r s PRO 32 Cb -0.15 -2.44 1.81 0.00 0.04 0.00 0.00 34.50 33.77 2k4r s PRO 32 CO 0.08 -0.08 2.21 -1.00 0.04 0.00 0.00 177.00 178.25 2k4r h PRO 33 N 2.35 0.00 -2.87 0.56 0.13 -2.03 -3.45 132.00 126.69 2k4r h PRO 33 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2k4r h PRO 33 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k4r h PRO 33 CO 0.62 0.04 0.30 0.00 -0.23 0.00 0.00 178.00 178.73 2k4r s ALA 34 N -4.32 -1.21 0.01 -0.56 0.00 -1.26 -5.12 121.76 109.30 2k4r s ALA 34 Ca -0.04 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2k4r s ALA 34 Cb 0.14 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 2k4r s ALA 34 CO 0.53 -1.03 1.49 0.45 0.00 0.00 0.00 175.76 177.20 2k4r s SER 35 N -2.98 6.77 -0.20 0.00 0.15 -1.26 -4.90 113.70 111.28 2k4r s SER 35 Ca 0.13 2.22 0.15 0.00 0.70 0.00 0.00 55.95 59.15 2k4r s SER 35 Cb -0.05 -2.56 0.73 0.00 -1.71 0.00 0.00 66.02 62.43 2k4r s SER 35 CO 0.07 -0.79 1.64 -2.67 1.20 0.00 0.00 173.24 172.70 2k4r n TRP 36 N 5.65 1.68 0.02 3.44 4.27 -1.26 -4.43 117.44 126.81 2k4r n TRP 36 Ca 0.14 -0.74 0.02 0.00 -3.89 0.00 0.00 57.50 53.03 2k4r n TRP 36 Cb 0.43 -0.41 0.37 0.00 -1.36 0.00 0.00 31.31 30.33 2k4r n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k4r h ALA 37 N 3.43 1.54 0.00 -1.67 0.00 -2.01 -1.38 119.26 119.17 2k4r h ALA 37 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k4r h ALA 37 Cb 1.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2k4r h ALA 37 CO 0.38 0.35 0.00 0.39 0.00 0.00 0.00 179.25 180.37 2k4r n GLU 38 N -4.37 0.47 0.12 0.00 1.02 -1.26 -2.26 120.64 114.37 2k4r n GLU 38 Ca 0.02 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.19 2k4r n GLU 38 Cb 0.17 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.35 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k4r h LEU 39 N 0.00 0.15 2.75 -4.62 3.38 -1.57 -3.47 115.31 111.94 2k4r h LEU 39 Ca 0.00 -0.06 -0.40 0.00 0.09 0.00 0.00 57.88 57.51 2k4r h LEU 39 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k4r h LEU 39 CO 0.00 0.56 -0.52 -1.14 0.09 0.00 0.00 178.44 177.43 2k4r n ARG 40 N -4.03 -2.05 -0.68 1.13 0.00 -0.96 -4.83 116.66 105.24 2k4r n ARG 40 Ca -0.02 0.96 0.08 0.00 -0.00 0.00 0.00 57.85 58.87 2k4r n ARG 40 Cb 0.47 -5.64 0.35 0.00 0.00 0.00 0.00 32.46 27.64 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4r n GLY 41 N -1.04 2.64 0.42 5.14 0.00 -1.26 -4.75 105.19 106.33 2k4r n GLY 41 Ca -0.22 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 2k4r n GLY 41 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k4r h GLN 42 N 3.72 -0.14 -0.00 1.61 1.08 -1.88 -0.74 115.11 118.76 2k4r h GLN 42 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k4r h GLN 42 Cb 1.56 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.03 2k4r h GLN 42 CO 0.31 -0.09 0.01 -1.00 -0.95 0.00 0.00 178.83 177.11 2k4r h PRO 43 N -0.15 0.00 0.00 1.46 0.13 -1.96 -0.73 132.00 130.76 2k4r h PRO 43 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2k4r h PRO 43 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2k4r h PRO 43 CO -0.81 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.57 2k4r n HIS 44 N -3.18 0.00 -4.59 1.56 1.44 -0.28 -4.94 115.22 105.22 2k4r n HIS 44 Ca -0.03 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.46 2k4r n HIS 44 Cb 0.08 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.04 2k4r n HIS 44 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2k4r s ASN 45 N -0.19 1.54 0.00 4.39 4.22 -1.26 -1.25 114.94 122.39 2k4r s ASN 45 Ca 0.00 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 2k4r s ASN 45 Cb 0.00 -0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.34 2k4r s ASN 45 CO 0.00 0.16 0.00 0.33 -2.04 0.00 0.00 177.10 175.55 2k4r n PHE 46 N 2.80 0.00 -1.57 1.54 7.35 -1.26 -4.79 117.46 121.53 2k4r n PHE 46 Ca -0.14 0.00 -0.53 0.00 -0.76 0.00 0.00 57.45 56.02 2k4r n PHE 46 Cb 0.55 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.32 2k4r n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k4r s ARG 48 N 0.30 0.93 -0.30 0.00 1.81 0.14 -4.79 118.95 117.04 2k4r s ARG 48 Ca 0.84 -0.76 -0.10 0.00 -1.72 0.00 0.00 55.73 53.99 2k4r s ARG 48 Cb -1.00 -0.93 0.13 0.00 -0.45 0.00 0.00 34.95 32.70 2k4r s ARG 48 CO 0.49 0.23 0.65 0.45 -0.68 0.00 0.00 175.30 176.44 2k4r s SER 49 N -1.15 -1.15 -0.09 0.23 0.15 -1.26 -0.76 113.70 109.67 2k4r s SER 49 Ca 0.01 1.58 -0.27 0.00 0.70 0.00 0.00 55.95 57.97 2k4r s SER 49 Cb -0.08 2.30 -0.25 0.00 -1.71 0.00 0.00 66.02 66.28 2k4r s SER 49 CO 0.01 -0.22 0.91 1.55 1.20 0.00 0.00 173.24 176.70 2k4r h PRO 50 N 7.99 0.07 0.00 5.44 0.13 -1.95 -3.48 132.00 140.20 2k4r h PRO 50 Ca -0.18 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k4r h PRO 50 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k4r h PRO 50 CO 0.10 0.93 0.00 -0.40 -0.23 0.00 0.00 178.00 178.40 2k4r n ASP 51 N -4.58 0.00 0.00 1.44 5.75 -1.26 -5.03 116.55 112.87 2k4r n ASP 51 Ca -0.10 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 2k4r n ASP 51 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2k4r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k4r n GLY 52 N 0.00 2.19 0.69 6.12 0.00 -1.26 -4.57 105.19 108.35 2k4r n GLY 52 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 2k4r n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r n ALA 53 N 0.00 2.40 -2.94 4.61 0.00 -1.26 -4.96 120.51 118.37 2k4r n ALA 53 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 2k4r n ALA 53 Cb 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 19.26 2k4r n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4r n GLY 54 N 0.04 -0.00 3.19 0.00 0.00 -1.26 -5.00 105.19 102.16 2k4r n GLY 54 Ca -0.05 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2k4r n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k4r s ARG 55 N -5.51 2.38 0.44 1.61 6.06 -1.26 -5.08 118.95 117.59 2k4r s ARG 55 Ca 0.27 -1.81 -0.21 0.00 -2.50 0.00 0.00 55.73 51.48 2k4r s ARG 55 Cb -0.12 -3.85 -0.10 0.00 0.06 0.00 0.00 34.95 30.95 2k4r s ARG 55 CO 0.33 -1.17 0.99 -1.25 -2.50 0.00 0.00 175.30 171.71 2k4r s PRO 56 N 1.26 4.08 0.03 5.12 0.04 -1.26 -4.72 135.00 139.54 2k4r s PRO 56 Ca 0.07 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 2k4r s PRO 56 Cb -0.25 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2k4r s PRO 56 CO -0.02 -0.18 0.02 1.67 0.04 0.00 0.00 177.00 178.53 2k4r s TRP 57 N -2.02 0.31 0.26 0.56 1.48 0.07 0.22 118.94 119.80 2k4r s TRP 57 Ca 0.63 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 2k4r s TRP 57 Cb -0.13 -0.23 -0.04 0.00 -1.16 0.00 0.00 33.47 31.91 2k4r s TRP 57 CO 0.17 -0.31 0.13 0.00 -4.06 0.00 0.00 176.95 172.89 2k4r s PHE 59 N -3.81 3.25 0.04 0.00 0.08 -1.26 -0.51 117.98 115.78 2k4r s PHE 59 Ca 0.38 0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.99 2k4r s PHE 59 Cb 0.06 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2k4r s PHE 59 CO 0.15 -0.30 0.05 1.52 -0.10 0.00 0.00 175.22 176.54 2k4r s TYR 60 N 2.28 3.16 -0.17 0.36 1.13 0.16 0.70 117.35 124.98 2k4r s TYR 60 Ca 0.20 0.10 -0.04 0.00 -1.41 0.00 0.00 57.07 55.92 2k4r s TYR 60 Cb -0.16 -1.65 -0.03 0.00 -1.10 0.00 0.00 41.96 39.03 2k4r s TYR 60 CO 0.10 0.51 -0.03 0.50 -2.51 0.00 0.00 175.55 174.12 2k4r s ARG 61 N -2.04 3.64 0.24 -3.49 3.52 -0.88 -1.89 118.95 118.05 2k4r s ARG 61 Ca 0.25 -0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 55.14 2k4r s ARG 61 Cb -0.12 -2.95 -0.08 0.00 -1.56 0.00 0.00 34.95 30.24 2k4r s ARG 61 CO 0.17 0.18 0.72 -0.80 -0.81 0.00 0.00 175.30 174.75 2k4r s ASN 62 N 0.54 6.99 0.00 -2.12 -0.87 0.40 -4.64 114.94 115.25 2k4r s ASN 62 Ca -0.03 1.37 0.00 0.00 -1.57 0.00 0.00 52.86 52.63 2k4r s ASN 62 Cb -0.14 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2k4r s ASN 62 CO 0.03 -0.01 0.53 0.00 -2.57 0.00 0.00 177.10 175.07 2k4r n ALA 63 N 0.50 2.15 0.02 0.60 0.00 -1.26 -1.91 120.51 120.61 2k4r n ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k4r n ALA 63 Cb 0.51 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.97 2k4r n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4r n GLN 64 N -0.15 0.26 0.00 0.00 3.00 -1.26 -4.98 117.38 114.25 2k4r n GLN 64 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2k4r n GLN 64 Cb 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.32 2k4r n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4r n GLY 65 N -0.08 0.87 3.92 1.08 0.00 -0.80 -5.10 105.19 105.08 2k4r n GLY 65 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2k4r n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4r s LYS 66 N -0.65 3.56 -0.21 1.61 1.02 -1.23 -4.92 119.74 118.91 2k4r s LYS 66 Ca 0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 55.97 55.75 2k4r s LYS 66 Cb 0.00 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.68 2k4r s LYS 66 CO 0.00 0.25 0.11 0.08 -0.92 0.00 0.00 175.35 174.87 2k4r s VAL 67 N -2.09 -0.10 0.31 3.17 1.01 -1.26 -0.45 120.40 121.00 2k4r s VAL 67 Ca 0.41 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2k4r s VAL 67 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2k4r s VAL 67 CO 0.31 -0.43 0.19 -1.81 0.00 0.00 0.00 175.10 173.36 2k4r s ASP 68 N 2.14 1.56 0.11 3.32 1.01 -0.79 -3.19 116.67 120.82 2k4r s ASP 68 Ca 0.05 -1.62 0.06 0.00 0.71 0.00 0.00 52.55 51.75 2k4r s ASP 68 Cb -0.16 0.46 -0.04 0.00 1.01 0.00 0.00 42.92 44.19 2k4r s ASP 68 CO -0.19 -0.95 -0.07 -1.66 0.21 0.00 0.00 175.17 172.52 2k4r s TRP 69 N -3.57 2.81 -0.05 4.23 1.48 -1.26 0.40 118.94 122.98 2k4r s TRP 69 Ca 0.36 -0.12 -0.18 0.00 -1.06 0.00 0.00 56.10 55.11 2k4r s TRP 69 Cb 0.04 -1.46 0.04 0.00 -1.16 0.00 0.00 33.47 30.93 2k4r s TRP 69 CO 0.20 0.45 0.40 0.20 -4.06 0.00 0.00 176.95 174.14 2k4r s GLY 70 N -2.30 -0.26 0.21 3.67 0.00 0.33 -4.90 107.32 104.07 2k4r s GLY 70 Ca 0.23 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.34 2k4r s GLY 70 CO 0.15 0.46 1.16 -0.19 0.00 0.00 0.00 173.10 174.68 2k4r s TYR 71 N -0.98 3.48 -1.26 1.90 2.02 0.64 -1.78 117.35 121.37 2k4r s TYR 71 Ca -0.10 1.52 -0.08 0.00 -0.37 0.00 0.00 57.07 58.04 2k4r s TYR 71 Cb -0.04 -3.37 -0.08 0.00 -0.40 0.00 0.00 41.96 38.07 2k4r s TYR 71 CO 0.05 -0.95 2.97 0.00 -1.57 0.00 0.00 175.55 176.05 2k4r n ASP 73 N 2.96 0.00 0.00 0.00 2.03 -1.26 -4.29 116.55 115.99 2k4r n ASP 73 Ca 0.69 0.00 0.00 0.00 0.52 0.00 0.00 54.79 56.00 2k4r n ASP 73 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4r n GLY 75 N -1.36 0.69 0.08 0.00 0.00 -1.26 -4.65 105.19 98.68 2k4r n GLY 75 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2k4r n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k4r h GLN 76 N 0.27 0.00 0.00 1.61 5.75 -1.93 -3.53 115.11 117.28 2k4r h GLN 76 Ca -0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2k4r h GLN 76 Cb 1.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.05 2k4r h GLN 76 CO -0.14 0.77 0.00 0.41 -2.65 0.00 0.00 178.83 177.22