#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 5.07 1.90 2.55 0.00 0.00 -1.26 -4.46 105.19 108.98 2k4r n GLY 3 Ca 0.21 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.00 -3.57 0.00 4.61 0.00 -1.26 -4.30 120.51 112.99 2k4r n ALA 4 Ca 0.00 2.26 0.00 0.00 0.00 0.00 0.00 53.44 55.70 2k4r n ALA 4 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 19.45 14.98 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 1.69 2.39 0.11 0.00 0.00 -1.26 -4.84 105.19 103.27 2k4r n GLY 5 Ca -0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 2k4r n GLY 5 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k4r h GLU 6 N 2.39 0.05 -5.96 1.61 4.57 -1.90 -3.44 114.58 111.89 2k4r h GLU 6 Ca 0.00 -0.08 -0.64 0.00 -1.18 0.00 0.00 59.36 57.46 2k4r h GLU 6 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2k4r h GLU 6 CO 0.00 1.04 1.45 -2.30 -1.18 0.00 0.00 179.01 178.02 2k4r n PRO 7 N -4.32 1.33 -4.96 0.92 -0.02 -1.25 -3.96 135.00 122.73 2k4r n PRO 7 Ca -0.29 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 2k4r n PRO 7 Cb 0.71 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 2k4r n PRO 7 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2k4r s TRP 8 N 7.79 2.68 0.25 6.00 -0.00 -1.08 -4.99 118.94 129.59 2k4r s TRP 8 Ca 1.07 -0.62 -0.11 0.00 -0.00 0.00 0.00 56.10 56.45 2k4r s TRP 8 Cb -0.69 -1.73 0.37 0.00 -0.00 0.00 0.00 33.47 31.42 2k4r s TRP 8 CO 0.44 -0.16 1.49 0.41 -0.00 0.00 0.00 176.95 179.13 2k4r n GLY 9 N 3.16 -1.72 1.17 5.86 0.00 -1.26 -0.78 105.19 111.62 2k4r n GLY 9 Ca -0.18 1.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.83 2k4r n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k4r n ASN 10 N -5.51 2.85 -3.66 1.61 5.03 -1.26 -2.03 115.26 112.29 2k4r n ASN 10 Ca 0.14 -3.78 -0.07 0.00 0.87 0.00 0.00 54.58 51.73 2k4r n ASN 10 Cb 0.45 -0.46 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 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 -3.30 -1.37 -1.12 5.41 0.00 0.04 -0.41 121.76 121.02 2k4r s ALA 11 Ca 0.42 1.76 -0.22 0.00 0.00 0.00 0.00 51.96 53.92 2k4r s ALA 11 Cb 0.38 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 2k4r s ALA 11 CO -0.03 -0.65 1.78 0.95 0.00 0.00 0.00 175.76 177.81 2k4r s THR 12 N 2.32 3.75 0.00 0.00 -4.23 -0.03 -2.63 115.64 114.82 2k4r s THR 12 Ca -0.05 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2k4r s THR 12 Cb -0.11 -4.71 0.00 0.00 1.34 0.00 0.00 72.50 69.02 2k4r s THR 12 CO -0.15 -1.45 0.00 -0.46 -0.54 0.00 0.00 174.62 172.02 2k4r n ASN 13 N 11.57 0.00 0.32 3.99 0.23 -1.25 -1.91 115.26 128.20 2k4r n ASN 13 Ca 0.42 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.59 2k4r n ASN 13 Cb 0.47 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.78 2k4r n ASN 13 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2k4r h LEU 14 N 0.00 0.00 0.00 -4.53 5.85 -1.89 -3.44 115.31 111.30 2k4r h LEU 14 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k4r h LEU 14 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k4r h LEU 14 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2k4r n GLY 15 N -1.28 1.67 3.62 3.75 0.00 -0.80 -5.09 105.19 107.06 2k4r n GLY 15 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 5.03 0.34 1.61 1.01 -1.25 -4.81 120.40 120.33 2k4r s VAL 16 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 2k4r s VAL 16 Cb 0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2k4r s VAL 16 CO 0.00 0.06 1.44 -2.84 0.00 0.00 0.00 175.10 173.76 2k4r s PRO 17 N 2.39 4.20 0.14 2.72 0.02 -1.25 -0.85 135.00 142.37 2k4r s PRO 17 Ca 0.23 2.44 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 2k4r s PRO 17 Cb -0.16 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.28 2k4r s PRO 17 CO 0.09 -0.44 0.96 0.00 -0.33 0.00 0.00 177.00 177.28 2k4r s LEU 19 N -0.23 3.52 0.19 0.00 2.96 0.16 -4.81 118.68 120.47 2k4r s LEU 19 Ca 0.46 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.58 2k4r s LEU 19 Cb -0.24 -3.37 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 2k4r s LEU 19 CO 0.30 -0.80 1.07 -1.00 -1.32 0.00 0.00 176.35 174.61 2k4r s HIS 20 N -2.72 3.65 0.52 5.38 3.76 -1.26 -4.45 115.29 120.17 2k4r s HIS 20 Ca 0.50 1.66 0.31 0.00 -0.15 0.00 0.00 55.06 57.37 2k4r s HIS 20 Cb -0.10 -3.23 1.74 0.00 1.11 0.00 0.00 32.58 32.10 2k4r s HIS 20 CO 0.41 -0.43 2.19 -1.49 -0.85 0.00 0.00 174.74 174.58 2k4r h TRP 21 N 4.91 0.00 -0.00 1.40 4.06 -1.27 0.17 115.95 125.22 2k4r h TRP 21 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2k4r h TRP 21 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2k4r h TRP 21 CO 0.62 0.05 -0.15 -3.47 -3.56 0.00 0.00 178.44 171.93 2k4r n ASP 22 N -3.67 0.25 -1.13 -3.49 2.03 -0.43 -3.19 116.55 106.92 2k4r n ASP 22 Ca -0.02 -0.05 0.11 0.00 0.52 0.00 0.00 54.79 55.35 2k4r n ASP 22 Cb 0.15 -0.18 0.22 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.32 2.49 -3.26 -0.67 1.02 0.58 -4.89 120.64 114.59 2k4r n GLU 23 Ca 0.10 -2.29 -0.42 0.00 -0.02 0.00 0.00 57.16 54.53 2k4r n GLU 23 Cb 0.31 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2k4r n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k4r s VAL 24 N -1.37 5.03 0.56 2.62 1.01 -1.19 -4.96 120.40 122.10 2k4r s VAL 24 Ca 0.38 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 2k4r s VAL 24 Cb 0.22 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2k4r s VAL 24 CO 0.30 -0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.06 2k4r s PRO 25 N 2.35 3.39 0.39 2.72 0.04 -1.26 -4.96 135.00 137.66 2k4r s PRO 25 Ca 0.17 1.38 0.09 0.00 0.04 0.00 0.00 61.00 62.68 2k4r s PRO 25 Cb -0.16 -2.03 0.79 0.00 0.04 0.00 0.00 34.50 33.14 2k4r s PRO 25 CO 0.14 -0.78 1.93 -1.00 0.04 0.00 0.00 177.00 177.33 2k4r h PRO 26 N 0.89 0.30 -4.09 0.56 0.13 -2.01 -3.32 132.00 124.46 2k4r h PRO 26 Ca -0.48 -0.06 -0.76 0.00 -0.87 0.00 0.00 66.00 63.82 2k4r h PRO 26 Cb 1.23 -0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2k4r h PRO 26 CO 0.57 0.38 -0.04 -0.06 -0.23 0.00 0.00 178.00 178.63 2k4r s PHE 27 N -4.85 3.41 0.39 1.56 0.08 -1.26 -5.04 117.98 112.27 2k4r s PHE 27 Ca -0.06 -1.51 0.08 0.00 0.12 0.00 0.00 56.93 55.55 2k4r s PHE 27 Cb 0.16 -3.84 -0.06 0.00 -0.57 0.00 0.00 43.02 38.70 2k4r s PHE 27 CO 0.73 -1.05 0.11 -1.17 -0.10 0.00 0.00 175.22 173.74 2k4r s LEU 28 N 1.23 3.04 0.01 -0.37 2.96 -1.25 -5.06 118.68 119.25 2k4r s LEU 28 Ca 0.10 -1.10 -0.25 0.00 -0.22 0.00 0.00 54.13 52.65 2k4r s LEU 28 Cb -0.21 -1.32 -0.17 0.00 0.50 0.00 0.00 46.19 44.98 2k4r s LEU 28 CO -0.01 -0.44 1.31 -0.33 -1.32 0.00 0.00 176.35 175.55 2k4r h GLU 29 N 1.59 -0.32 -6.19 1.98 5.08 -1.94 -3.43 114.58 111.35 2k4r h GLU 29 Ca -0.43 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.37 2k4r h GLU 29 Cb 1.25 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2k4r h GLU 29 CO 0.71 -0.01 -0.13 1.03 -1.00 0.00 0.00 179.01 179.61 2k4r s ARG 30 N -4.81 3.98 -0.19 2.33 1.81 -1.26 -5.07 118.95 115.74 2k4r s ARG 30 Ca -0.14 0.48 -0.19 0.00 -1.72 0.00 0.00 55.73 54.15 2k4r s ARG 30 Cb 0.03 -3.08 -0.03 0.00 -0.45 0.00 0.00 34.95 31.41 2k4r s ARG 30 CO 0.58 0.58 0.57 0.45 -0.68 0.00 0.00 175.30 176.80 2k4r s SER 31 N -1.42 6.63 0.58 0.23 0.15 -1.26 -4.86 113.70 113.74 2k4r s SER 31 Ca 0.31 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 2k4r s SER 31 Cb -0.16 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2k4r s SER 31 CO 0.17 -0.21 1.15 -2.16 1.20 0.00 0.00 173.24 173.40 2k4r s PRO 32 N 1.67 3.12 0.49 5.44 0.04 -1.26 -4.94 135.00 139.56 2k4r s PRO 32 Ca 0.26 1.66 0.28 0.00 0.04 0.00 0.00 61.00 63.24 2k4r s PRO 32 Cb -0.16 -1.97 1.11 0.00 0.04 0.00 0.00 34.50 33.53 2k4r s PRO 32 CO 0.10 -1.05 1.90 -1.00 0.04 0.00 0.00 177.00 176.99 2k4r h PRO 33 N 0.91 0.00 -3.80 0.56 0.13 -2.01 -3.45 132.00 124.33 2k4r h PRO 33 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2k4r h PRO 33 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2k4r h PRO 33 CO 0.56 0.12 -0.30 0.00 -0.23 0.00 0.00 178.00 178.15 2k4r s ALA 34 N -3.67 -0.18 -0.24 -0.56 0.00 -1.26 -5.11 121.76 110.74 2k4r s ALA 34 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 2k4r s ALA 34 Cb 0.10 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2k4r s ALA 34 CO 0.60 -0.61 1.63 0.45 0.00 0.00 0.00 175.76 177.83 2k4r s SER 35 N -2.92 6.32 -0.13 0.00 0.15 -1.26 -4.86 113.70 111.01 2k4r s SER 35 Ca 0.12 1.55 0.14 0.00 0.70 0.00 0.00 55.95 58.46 2k4r s SER 35 Cb 0.04 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.45 2k4r s SER 35 CO -0.05 -1.32 1.51 -2.67 1.20 0.00 0.00 173.24 171.92 2k4r n TRP 36 N 8.67 1.42 0.09 3.44 4.27 -1.26 -4.16 117.44 129.91 2k4r n TRP 36 Ca 0.19 -0.54 0.08 0.00 -3.89 0.00 0.00 57.50 53.35 2k4r n TRP 36 Cb 0.46 -0.29 0.55 0.00 -1.36 0.00 0.00 31.31 30.66 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 3.84 1.95 -0.47 -1.67 0.00 -2.02 -0.55 119.26 120.34 2k4r h ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k4r h ALA 37 Cb 1.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k4r h ALA 37 CO 0.27 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.92 2k4r n GLU 38 N -4.49 2.70 0.18 0.00 -0.58 -1.26 -3.32 120.64 113.87 2k4r n GLU 38 Ca 0.02 -1.94 0.06 0.00 -0.42 0.00 0.00 57.16 54.88 2k4r n GLU 38 Cb 0.17 -1.62 0.27 0.00 -0.57 0.00 0.00 31.44 29.69 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k4r h LEU 39 N 2.88 0.00 -1.75 -4.62 3.38 -1.38 -3.47 115.31 110.35 2k4r h LEU 39 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2k4r h LEU 39 Cb 0.97 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2k4r h LEU 39 CO 0.12 0.37 -0.89 -2.11 0.09 0.00 0.00 178.44 176.02 2k4r n ARG 40 N -3.39 -2.67 -0.66 1.13 1.85 -1.21 -4.84 116.66 106.87 2k4r n ARG 40 Ca 0.01 0.32 0.06 0.00 -1.00 0.00 0.00 57.85 57.24 2k4r n ARG 40 Cb 0.56 -4.45 0.19 0.00 -1.05 0.00 0.00 32.46 27.71 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k4r n GLY 41 N -1.96 4.79 0.40 2.89 0.00 -1.26 -4.94 105.19 105.12 2k4r n GLY 41 Ca -0.22 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 0.97 -0.35 0.00 1.61 1.08 -1.88 -1.10 115.11 115.44 2k4r h GLN 42 Ca -0.02 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4r h GLN 42 Cb 1.07 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2k4r h GLN 42 CO 0.01 -0.23 -0.01 -1.00 -0.95 0.00 0.00 178.83 176.65 2k4r h PRO 43 N -0.36 0.00 0.00 1.46 0.13 -1.94 -1.12 132.00 130.16 2k4r h PRO 43 Ca 0.12 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.02 2k4r h PRO 43 Cb 0.59 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2k4r h PRO 43 CO -0.56 0.01 -0.17 -2.39 -0.23 0.00 0.00 178.00 174.66 2k4r n HIS 44 N -3.34 0.37 -2.62 1.56 1.44 -0.42 -4.92 115.22 107.29 2k4r n HIS 44 Ca -0.03 -0.90 -0.12 0.00 -2.01 0.00 0.00 57.72 54.66 2k4r n HIS 44 Cb 0.10 -0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.13 2k4r n HIS 44 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2k4r n ASN 45 N -1.22 2.20 -4.63 4.39 6.94 -1.26 -1.69 115.26 119.99 2k4r n ASN 45 Ca -0.07 -2.90 -0.34 0.00 -0.02 0.00 0.00 54.58 51.26 2k4r n ASN 45 Cb 0.23 -0.51 -0.10 0.00 -2.36 0.00 0.00 39.78 37.04 2k4r n ASN 45 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2k4r s PHE 46 N -3.26 3.02 0.07 -2.53 5.36 -1.26 -4.49 117.98 114.89 2k4r s PHE 46 Ca 0.32 0.08 -0.36 0.00 -0.96 0.00 0.00 56.93 56.00 2k4r s PHE 46 Cb 0.44 -1.71 -0.18 0.00 -0.34 0.00 0.00 43.02 41.22 2k4r s PHE 46 CO -0.01 0.40 1.04 0.00 -1.46 0.00 0.00 175.22 175.19 2k4r s ARG 48 N -0.14 3.15 -0.44 0.00 1.81 0.03 -4.82 118.95 118.54 2k4r s ARG 48 Ca 0.83 -0.80 0.07 0.00 -1.72 0.00 0.00 55.73 54.11 2k4r s ARG 48 Cb -1.10 -2.43 0.26 0.00 -0.45 0.00 0.00 34.95 31.23 2k4r s ARG 48 CO 0.54 0.22 0.75 -1.13 -0.68 0.00 0.00 175.30 175.00 2k4r n SER 49 N 3.46 -1.33 -0.03 0.23 3.41 -1.26 -1.95 113.62 116.14 2k4r n SER 49 Ca -0.19 -3.08 -0.15 0.00 -0.26 0.00 0.00 58.87 55.20 2k4r n SER 49 Cb 0.53 0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 65.03 2k4r n SER 49 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2k4r h PRO 50 N 3.82 0.13 0.00 4.33 0.11 -1.95 -3.47 132.00 134.97 2k4r h PRO 50 Ca -0.04 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2k4r h PRO 50 Cb 0.97 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2k4r h PRO 50 CO 0.38 0.89 0.00 -3.47 -0.21 0.00 0.00 178.00 175.58 2k4r n ASP 51 N -4.55 0.17 0.00 -2.05 2.03 -1.26 -5.00 116.55 105.89 2k4r n ASP 51 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k4r n ASP 51 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2k4r n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4r n GLY 52 N 0.00 2.13 0.87 0.27 0.00 -1.26 -4.50 105.19 102.70 2k4r n GLY 52 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 2.19 -3.55 4.61 0.00 -1.26 -4.97 120.51 117.52 2k4r n ALA 53 Ca 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 53.44 51.77 2k4r n ALA 53 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 0.18 -0.51 3.64 0.00 0.00 -1.26 -4.96 105.19 102.27 2k4r n GLY 54 Ca 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.25 0.75 0.32 1.61 3.52 -1.26 -5.14 118.95 112.49 2k4r s ARG 55 Ca 0.52 1.10 -0.29 0.00 -0.13 0.00 0.00 55.73 56.93 2k4r s ARG 55 Cb -0.25 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.29 2k4r s ARG 55 CO 0.65 -0.12 1.23 -2.14 -0.81 0.00 0.00 175.30 174.10 2k4r s PRO 56 N 1.07 4.45 0.03 5.12 0.02 -1.26 -4.75 135.00 139.68 2k4r s PRO 56 Ca -0.05 2.05 -0.04 0.00 0.02 0.00 0.00 61.00 62.97 2k4r s PRO 56 Cb -0.05 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 2k4r s PRO 56 CO -0.11 -0.05 0.07 1.67 -0.33 0.00 0.00 177.00 178.25 2k4r s TRP 57 N -1.16 0.23 0.25 6.54 1.48 -0.83 0.33 118.94 125.77 2k4r s TRP 57 Ca 0.48 -0.53 0.01 0.00 -1.06 0.00 0.00 56.10 54.99 2k4r s TRP 57 Cb -0.37 -0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 31.74 2k4r s TRP 57 CO 0.48 -0.34 0.14 0.00 -4.06 0.00 0.00 176.95 173.18 2k4r s PHE 59 N -3.90 3.22 -0.05 0.00 0.08 -1.26 -0.43 117.98 115.65 2k4r s PHE 59 Ca 0.38 0.42 -0.06 0.00 0.12 0.00 0.00 56.93 57.79 2k4r s PHE 59 Cb 0.06 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2k4r s PHE 59 CO 0.15 -0.40 0.21 1.52 -0.10 0.00 0.00 175.22 176.60 2k4r s TYR 60 N 2.35 3.59 -0.21 0.36 -0.85 0.22 0.41 117.35 123.22 2k4r s TYR 60 Ca 0.20 0.54 -0.04 0.00 -0.52 0.00 0.00 57.07 57.24 2k4r s TYR 60 Cb -0.15 -1.96 -0.02 0.00 0.38 0.00 0.00 41.96 40.21 2k4r s TYR 60 CO 0.11 0.67 -0.02 0.50 -1.52 0.00 0.00 175.55 175.29 2k4r s ARG 61 N -1.47 3.50 0.59 -3.49 3.52 -0.70 -1.91 118.95 119.00 2k4r s ARG 61 Ca 0.22 -0.58 0.07 0.00 -0.13 0.00 0.00 55.73 55.31 2k4r s ARG 61 Cb -0.13 -3.03 0.09 0.00 -1.56 0.00 0.00 34.95 30.32 2k4r s ARG 61 CO 0.12 -0.08 0.82 0.54 -0.81 0.00 0.00 175.30 175.88 2k4r s ASN 62 N 1.21 4.98 0.00 -2.12 2.20 -0.68 -4.41 114.94 116.12 2k4r s ASN 62 Ca 0.03 -0.66 0.01 0.00 -0.94 0.00 0.00 52.86 51.30 2k4r s ASN 62 Cb -0.14 0.08 0.04 0.00 -2.00 0.00 0.00 41.25 39.23 2k4r s ASN 62 CO -0.00 -1.40 1.00 0.00 -2.94 0.00 0.00 177.10 173.76 2k4r n ALA 63 N -2.35 2.48 0.83 3.54 0.00 -1.26 -1.80 120.51 121.95 2k4r n ALA 63 Ca 0.14 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2k4r n ALA 63 Cb 0.61 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.51 1.29 -0.48 0.00 6.02 -1.26 -4.96 117.38 117.48 2k4r n GLN 64 Ca 0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2k4r n GLN 64 Cb 0.00 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2k4r n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4r n GLY 65 N 1.37 0.74 3.96 1.08 0.00 -0.75 -5.06 105.19 106.52 2k4r n GLY 65 Ca 0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 3.45 -0.13 1.61 1.02 -1.26 -4.92 119.74 118.81 2k4r s LYS 66 Ca 0.00 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 2k4r s LYS 66 Cb 0.00 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2k4r s LYS 66 CO 0.00 0.41 0.01 0.08 -0.92 0.00 0.00 175.35 174.93 2k4r s VAL 67 N -1.96 0.50 0.25 3.17 1.01 -1.26 -1.69 120.40 120.42 2k4r s VAL 67 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2k4r s VAL 67 Cb -0.10 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2k4r s VAL 67 CO 0.30 0.08 0.10 -1.81 0.00 0.00 0.00 175.10 173.77 2k4r s ASP 68 N 1.90 1.02 0.03 3.32 1.01 -0.80 -3.95 116.67 119.20 2k4r s ASP 68 Ca 0.03 -1.39 -0.02 0.00 0.71 0.00 0.00 52.55 51.88 2k4r s ASP 68 Cb -0.14 0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 2k4r s ASP 68 CO -0.07 -0.75 0.21 -1.66 0.21 0.00 0.00 175.17 173.11 2k4r s TRP 69 N -3.82 3.53 -0.06 4.23 1.48 -1.26 0.71 118.94 123.75 2k4r s TRP 69 Ca 0.38 0.33 -0.17 0.00 -1.06 0.00 0.00 56.10 55.58 2k4r s TRP 69 Cb 0.08 -1.82 0.03 0.00 -1.16 0.00 0.00 33.47 30.60 2k4r s TRP 69 CO 0.13 0.61 0.39 0.20 -4.06 0.00 0.00 176.95 174.22 2k4r s GLY 70 N -2.22 -0.25 0.05 3.67 0.00 0.43 -4.88 107.32 104.12 2k4r s GLY 70 Ca 0.32 0.69 -0.31 0.00 0.00 0.00 0.00 44.72 45.42 2k4r s GLY 70 CO 0.23 0.47 1.25 -0.19 0.00 0.00 0.00 173.10 174.86 2k4r s TYR 71 N -0.90 3.31 0.00 1.90 2.02 -1.26 -1.72 117.35 120.71 2k4r s TYR 71 Ca -0.10 1.19 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 2k4r s TYR 71 Cb -0.04 -3.48 -0.20 0.00 -0.40 0.00 0.00 41.96 37.84 2k4r s TYR 71 CO 0.04 -1.56 2.93 0.00 -1.57 0.00 0.00 175.55 175.39 2k4r n ASP 73 N 2.48 0.00 0.00 0.00 2.03 -1.26 -3.97 116.55 115.83 2k4r n ASP 73 Ca 0.32 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2k4r n ASP 73 Cb 0.72 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 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 0.00 1.75 0.06 0.00 0.00 -1.26 -4.42 105.19 101.32 2k4r n GLY 75 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2k4r n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4r n GLN 76 N -0.22 0.26 -0.65 1.61 1.13 -1.26 -5.14 117.38 113.11 2k4r n GLN 76 Ca 0.02 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2k4r n GLN 76 Cb 0.21 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03