#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 4.91 0.49 2.24 0.00 0.00 -1.05 -3.25 105.19 108.53 2k4r n GLY 3 Ca -0.11 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 6.09 -3.14 4.61 0.00 -1.26 -4.63 120.51 122.18 2k4r n ALA 4 Ca 0.00 -3.12 -0.14 0.00 0.00 0.00 0.00 53.44 50.17 2k4r n ALA 4 Cb 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.70 -0.14 2.70 0.00 0.00 -1.26 -5.02 105.19 100.77 2k4r n GLY 5 Ca 0.57 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 2k4r n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4r s GLU 6 N -5.36 0.15 0.21 1.61 2.12 -1.26 -5.13 118.70 111.04 2k4r s GLU 6 Ca 0.17 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 2k4r s GLU 6 Cb -0.07 -1.39 -0.08 0.00 0.26 0.00 0.00 34.13 32.84 2k4r s GLU 6 CO 0.53 -0.68 0.90 -2.14 -0.54 0.00 0.00 175.26 173.33 2k4r s PRO 7 N 2.26 4.77 0.23 4.30 0.02 -1.26 -4.41 135.00 140.91 2k4r s PRO 7 Ca 0.06 1.40 0.26 0.00 0.02 0.00 0.00 61.00 62.73 2k4r s PRO 7 Cb -0.16 -3.28 0.70 0.00 0.02 0.00 0.00 34.50 31.78 2k4r s PRO 7 CO -0.13 0.50 1.70 2.35 -0.33 0.00 0.00 177.00 181.10 2k4r h TRP 8 N 4.32 0.00 0.00 6.54 7.01 -1.63 -3.48 115.95 128.71 2k4r h TRP 8 Ca -0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.55 2k4r h TRP 8 Cb 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 2k4r h TRP 8 CO 0.62 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.68 2k4r n GLY 9 N 1.28 1.96 0.78 2.65 0.00 -1.26 -4.50 105.19 106.11 2k4r n GLY 9 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 3.01 1.98 -3.58 1.61 5.03 -1.26 -1.93 115.26 120.13 2k4r n ASN 10 Ca 0.00 -3.85 -0.16 0.00 0.87 0.00 0.00 54.58 51.45 2k4r n ASN 10 Cb 0.00 -0.56 -0.06 0.00 -1.02 0.00 0.00 39.78 38.13 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 -3.24 -1.45 0.31 5.41 0.00 -1.26 0.54 121.76 122.08 2k4r s ALA 11 Ca 0.40 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 2k4r s ALA 11 Cb 0.38 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.56 2k4r s ALA 11 CO -0.05 -0.41 1.44 0.95 0.00 0.00 0.00 175.76 177.70 2k4r s THR 12 N -1.70 2.41 -1.47 0.00 -4.23 0.75 -3.26 115.64 108.13 2k4r s THR 12 Ca -0.09 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2k4r s THR 12 Cb -0.01 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2k4r s THR 12 CO 0.05 0.08 0.82 -0.46 -0.54 0.00 0.00 174.62 174.56 2k4r n ASN 13 N 1.37 0.00 0.14 3.99 0.23 -0.37 0.30 115.26 120.92 2k4r n ASN 13 Ca 0.04 0.25 0.12 0.00 -0.53 0.00 0.00 54.58 54.45 2k4r n ASN 13 Cb 0.40 -0.27 0.16 0.00 -2.08 0.00 0.00 39.78 37.99 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 -3.48 115.31 111.27 2k4r h LEU 14 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k4r h LEU 14 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2k4r h LEU 14 CO 0.00 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 2k4r n GLY 15 N 1.19 1.49 3.13 3.75 0.00 0.15 -5.13 105.19 109.76 2k4r n GLY 15 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 2.17 0.40 1.61 1.01 -1.11 -4.94 120.40 117.53 2k4r s VAL 16 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2k4r s VAL 16 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 2k4r s VAL 16 CO 0.00 0.46 1.24 -2.16 0.00 0.00 0.00 175.10 174.64 2k4r s PRO 17 N 1.28 4.04 -0.08 2.72 0.04 -1.26 -0.18 135.00 141.56 2k4r s PRO 17 Ca 0.03 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2k4r s PRO 17 Cb -0.14 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2k4r s PRO 17 CO -0.11 -0.39 0.81 0.00 0.04 0.00 0.00 177.00 177.35 2k4r s LEU 19 N 1.27 3.02 0.24 0.00 2.96 0.19 -4.83 118.68 121.53 2k4r s LEU 19 Ca 0.41 1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 55.04 2k4r s LEU 19 Cb -0.18 -3.83 -0.09 0.00 0.50 0.00 0.00 46.19 42.59 2k4r s LEU 19 CO 0.19 -1.23 1.04 -1.00 -1.32 0.00 0.00 176.35 174.02 2k4r s HIS 20 N -3.24 3.73 0.49 5.38 3.76 -1.26 -4.53 115.29 119.62 2k4r s HIS 20 Ca 0.57 1.76 0.32 0.00 -0.15 0.00 0.00 55.06 57.56 2k4r s HIS 20 Cb -0.11 -3.17 1.76 0.00 1.11 0.00 0.00 32.58 32.18 2k4r s HIS 20 CO 0.50 -0.18 2.18 -1.49 -0.85 0.00 0.00 174.74 174.90 2k4r h TRP 21 N 4.24 0.00 0.00 1.40 4.06 -1.52 0.14 115.95 124.27 2k4r h TRP 21 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 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 0.60 0.05 -0.35 -3.47 -3.56 0.00 0.00 178.44 171.72 2k4r n ASP 22 N -3.52 0.57 -1.91 -3.49 2.03 -1.15 -3.97 116.55 105.11 2k4r n ASP 22 Ca -0.02 0.22 0.01 0.00 0.52 0.00 0.00 54.79 55.52 2k4r n ASP 22 Cb 0.17 -0.16 0.35 0.00 -0.72 0.00 0.00 41.12 40.76 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 -1.92 4.26 -2.37 -0.67 1.02 0.51 -4.92 120.64 116.55 2k4r n GLU 23 Ca 0.05 -3.13 -0.43 0.00 -0.02 0.00 0.00 57.16 53.63 2k4r n GLU 23 Cb 0.40 -2.23 -0.02 0.00 -0.02 0.00 0.00 31.44 29.57 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 -2.89 4.06 0.59 2.62 1.01 -1.24 -4.89 120.40 119.66 2k4r s VAL 24 Ca 0.55 1.20 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 2k4r s VAL 24 Cb 0.43 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2k4r s VAL 24 CO 0.14 -0.44 1.11 -2.16 0.00 0.00 0.00 175.10 173.75 2k4r s PRO 25 N 4.25 3.18 0.55 2.72 0.04 -1.26 -4.94 135.00 139.54 2k4r s PRO 25 Ca 0.59 1.48 0.30 0.00 0.04 0.00 0.00 61.00 63.41 2k4r s PRO 25 Cb -0.18 -1.99 1.59 0.00 0.04 0.00 0.00 34.50 33.96 2k4r s PRO 25 CO 0.24 -0.96 2.11 -1.00 0.04 0.00 0.00 177.00 177.43 2k4r h PRO 26 N 0.73 0.00 -3.92 0.56 0.13 -2.02 -3.33 132.00 124.15 2k4r h PRO 26 Ca -0.49 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.86 2k4r h PRO 26 Cb 1.25 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 2k4r h PRO 26 CO 0.56 0.08 0.06 -0.06 -0.23 0.00 0.00 178.00 178.41 2k4r s PHE 27 N -4.16 3.64 -0.26 1.56 0.08 -1.26 -5.02 117.98 112.55 2k4r s PHE 27 Ca -0.03 -1.83 -0.10 0.00 0.12 0.00 0.00 56.93 55.10 2k4r s PHE 27 Cb 0.13 -3.83 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 2k4r s PHE 27 CO 0.56 -1.01 0.14 -1.17 -0.10 0.00 0.00 175.22 173.63 2k4r s LEU 28 N 0.54 3.85 0.29 -0.37 2.96 -1.25 -4.98 118.68 119.71 2k4r s LEU 28 Ca 0.15 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2k4r s LEU 28 Cb -0.14 -2.05 0.55 0.00 0.50 0.00 0.00 46.19 45.05 2k4r s LEU 28 CO -0.06 -0.01 1.85 -0.33 -1.32 0.00 0.00 176.35 176.48 2k4r h GLU 29 N 8.05 0.98 -5.17 1.98 5.08 -1.95 -3.42 114.58 120.13 2k4r h GLU 29 Ca -0.37 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.25 2k4r h GLU 29 Cb 1.18 -0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 2k4r h GLU 29 CO 0.59 0.65 -0.49 -0.98 -1.00 0.00 0.00 179.01 177.77 2k4r s ARG 30 N -5.94 2.23 -0.02 2.33 1.04 -1.26 -5.11 118.95 112.21 2k4r s ARG 30 Ca -0.12 -2.43 0.04 0.00 -1.04 0.00 0.00 55.73 52.18 2k4r s ARG 30 Cb 0.22 -1.54 -0.03 0.00 -2.04 0.00 0.00 34.95 31.56 2k4r s ARG 30 CO 0.81 -0.42 -0.12 0.45 -0.04 0.00 0.00 175.30 175.98 2k4r s SER 31 N -3.92 4.25 0.16 -2.89 0.15 -1.26 -5.02 113.70 105.17 2k4r s SER 31 Ca 0.03 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 2k4r s SER 31 Cb 0.00 -0.92 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 2k4r s SER 31 CO 0.02 0.32 1.12 -2.16 1.20 0.00 0.00 173.24 173.73 2k4r s PRO 32 N -1.05 4.56 0.62 5.44 0.04 -1.26 -4.93 135.00 138.42 2k4r s PRO 32 Ca 0.14 1.74 0.37 0.00 0.04 0.00 0.00 61.00 63.28 2k4r s PRO 32 Cb -0.11 -3.28 2.05 0.00 0.04 0.00 0.00 34.50 33.20 2k4r s PRO 32 CO 0.03 0.01 2.28 -1.00 0.04 0.00 0.00 177.00 178.36 2k4r h PRO 33 N 5.35 0.00 -3.62 0.56 0.13 -2.03 -3.44 132.00 128.95 2k4r h PRO 33 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2k4r h PRO 33 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2k4r h PRO 33 CO 0.74 0.01 -0.16 0.00 -0.23 0.00 0.00 178.00 178.36 2k4r s ALA 34 N -4.31 -0.44 0.25 -0.56 0.00 -1.26 -5.14 121.76 110.31 2k4r s ALA 34 Ca -0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2k4r s ALA 34 Cb 0.14 0.84 -0.11 0.00 0.00 0.00 0.00 23.12 23.98 2k4r s ALA 34 CO 0.49 -0.71 1.56 -1.12 0.00 0.00 0.00 175.76 175.98 2k4r s SER 35 N -2.92 6.49 0.00 0.00 0.01 -1.26 -4.92 113.70 111.10 2k4r s SER 35 Ca 0.13 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.20 2k4r s SER 35 Cb 0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2k4r s SER 35 CO -0.02 -0.85 0.68 -2.67 0.41 0.00 0.00 173.24 170.79 2k4r n TRP 36 N 2.71 0.00 0.25 2.43 4.27 -1.26 -4.63 117.44 121.22 2k4r n TRP 36 Ca 0.10 -0.23 0.08 0.00 -3.89 0.00 0.00 57.50 53.56 2k4r n TRP 36 Cb 0.38 -0.02 0.62 0.00 -1.36 0.00 0.00 31.31 30.93 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 0.00 1.89 -0.00 -1.67 0.00 -2.01 -0.02 119.26 117.45 2k4r h ALA 37 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k4r h ALA 37 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k4r h ALA 37 CO 0.00 0.06 -0.01 -0.85 0.00 0.00 0.00 179.25 178.45 2k4r n GLU 38 N -4.44 0.30 0.16 0.00 0.00 -1.26 -2.68 120.64 112.72 2k4r n GLU 38 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.15 2k4r n GLU 38 Cb 0.13 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.44 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2k4r h LEU 39 N 0.02 0.11 2.52 -1.84 3.38 -1.30 -3.46 115.31 114.74 2k4r h LEU 39 Ca 0.00 -0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 2k4r h LEU 39 Cb 0.36 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k4r h LEU 39 CO 0.00 0.38 -0.55 0.54 0.09 0.00 0.00 178.44 178.91 2k4r n ARG 40 N -4.18 -2.44 -0.91 1.13 1.74 -1.09 -4.85 116.66 106.06 2k4r n ARG 40 Ca -0.02 0.98 -0.07 0.00 -0.77 0.00 0.00 57.85 57.97 2k4r n ARG 40 Cb 0.35 -5.69 0.26 0.00 -1.02 0.00 0.00 32.46 26.36 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4r n GLY 41 N -1.13 3.44 0.30 -0.13 0.00 -1.26 -4.71 105.19 101.71 2k4r n GLY 41 Ca -0.21 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 2.23 -0.29 -0.01 1.61 1.08 -1.88 -1.37 115.11 116.48 2k4r h GLN 42 Ca 0.26 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 2k4r h GLN 42 Cb 2.19 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 29.68 2k4r h GLN 42 CO 0.68 -0.19 0.07 -1.00 -0.95 0.00 0.00 178.83 177.44 2k4r h PRO 43 N -0.30 0.00 0.00 1.46 0.13 -1.97 -3.04 132.00 128.28 2k4r h PRO 43 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2k4r h PRO 43 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2k4r h PRO 43 CO -0.40 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.98 2k4r n HIS 44 N -3.16 0.00 -4.79 1.56 1.44 -0.52 -5.01 115.22 104.75 2k4r n HIS 44 Ca -0.03 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.44 2k4r n HIS 44 Cb 0.14 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.09 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 -0.76 1.97 0.00 4.39 4.22 -1.26 -1.92 114.94 121.58 2k4r s ASN 45 Ca 0.00 -0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 2k4r s ASN 45 Cb 0.00 -0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.23 2k4r s ASN 45 CO 0.00 0.19 0.00 0.33 -2.04 0.00 0.00 177.10 175.58 2k4r n PHE 46 N 2.80 0.00 -1.59 1.54 7.35 -1.26 -4.84 117.46 121.46 2k4r n PHE 46 Ca -0.15 0.00 -0.51 0.00 -0.76 0.00 0.00 57.45 56.03 2k4r n PHE 46 Cb 0.54 0.00 -0.05 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 0.22 0.56 -0.30 0.00 1.81 0.11 -4.78 118.95 116.57 2k4r s ARG 48 Ca 0.81 0.08 -0.07 0.00 -1.72 0.00 0.00 55.73 54.82 2k4r s ARG 48 Cb -0.91 -0.84 0.16 0.00 -0.45 0.00 0.00 34.95 32.92 2k4r s ARG 48 CO 0.48 -0.24 0.72 0.45 -0.68 0.00 0.00 175.30 176.04 2k4r s SER 49 N 1.63 -1.09 0.15 0.23 0.15 -1.26 -2.09 113.70 111.42 2k4r s SER 49 Ca -0.00 1.05 -0.06 0.00 0.70 0.00 0.00 55.95 57.64 2k4r s SER 49 Cb -0.13 2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 66.24 2k4r s SER 49 CO -0.04 -0.21 1.41 -0.65 1.20 0.00 0.00 173.24 174.95 2k4r h PRO 50 N 7.93 0.57 0.00 5.44 0.11 -1.98 -3.44 132.00 140.64 2k4r h PRO 50 Ca -0.19 -0.44 0.00 0.00 0.11 0.00 0.00 66.00 65.47 2k4r h PRO 50 Cb 1.13 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k4r h PRO 50 CO 0.14 1.07 0.00 -3.47 -0.21 0.00 0.00 178.00 175.53 2k4r n ASP 51 N -3.90 0.05 0.00 -2.05 2.03 -1.26 -4.86 116.55 106.57 2k4r n ASP 51 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2k4r n ASP 51 Cb 0.70 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.45 0.00 0.27 0.00 -1.26 -1.88 105.19 103.77 2k4r n GLY 52 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.47 -2.44 4.61 0.00 -1.26 -4.99 120.51 116.91 2k4r n ALA 53 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 2k4r n ALA 53 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 -0.06 2.81 0.00 0.00 -0.79 -5.01 105.19 102.14 2k4r n GLY 54 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.86 0.99 0.39 1.61 3.52 -1.26 -5.07 118.95 114.27 2k4r s ARG 55 Ca 0.08 -0.82 -0.26 0.00 -0.13 0.00 0.00 55.73 54.60 2k4r s ARG 55 Cb -0.03 -2.26 -0.09 0.00 -1.56 0.00 0.00 34.95 31.01 2k4r s ARG 55 CO 0.10 -0.73 1.21 -2.14 -0.81 0.00 0.00 175.30 172.93 2k4r s PRO 56 N 1.62 4.09 0.10 5.12 0.02 -1.26 -4.73 135.00 139.96 2k4r s PRO 56 Ca 0.01 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.01 2k4r s PRO 56 Cb -0.18 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 2k4r s PRO 56 CO -0.12 -0.32 -0.10 1.67 -0.33 0.00 0.00 177.00 177.80 2k4r s TRP 57 N -1.34 1.08 0.34 6.54 1.48 -0.89 -1.85 118.94 124.31 2k4r s TRP 57 Ca 0.56 -0.65 0.05 0.00 -1.06 0.00 0.00 56.10 54.99 2k4r s TRP 57 Cb -0.33 -0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 2k4r s TRP 57 CO 0.42 0.01 0.19 0.00 -4.06 0.00 0.00 176.95 173.52 2k4r s PHE 59 N -3.45 3.22 -0.09 0.00 0.08 -1.26 -1.17 117.98 115.30 2k4r s PHE 59 Ca 0.34 0.46 -0.18 0.00 0.12 0.00 0.00 56.93 57.68 2k4r s PHE 59 Cb 0.03 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2k4r s PHE 59 CO 0.20 -0.42 0.46 1.52 -0.10 0.00 0.00 175.22 176.89 2k4r s TYR 60 N 2.41 3.56 -0.09 0.36 -0.85 0.17 0.55 117.35 123.45 2k4r s TYR 60 Ca 0.21 0.91 0.01 0.00 -0.52 0.00 0.00 57.07 57.69 2k4r s TYR 60 Cb -0.15 -2.50 -0.02 0.00 0.38 0.00 0.00 41.96 39.66 2k4r s TYR 60 CO 0.11 0.26 -0.13 0.50 -1.52 0.00 0.00 175.55 174.78 2k4r s ARG 61 N 0.27 2.98 -0.17 -3.49 3.52 -0.73 -1.63 118.95 119.71 2k4r s ARG 61 Ca 0.25 -0.68 -0.07 0.00 -0.13 0.00 0.00 55.73 55.10 2k4r s ARG 61 Cb -0.15 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2k4r s ARG 61 CO 0.11 0.41 0.06 -0.80 -0.81 0.00 0.00 175.30 174.27 2k4r s ASN 62 N -0.17 5.65 0.00 -2.12 0.02 0.17 -4.43 114.94 114.06 2k4r s ASN 62 Ca -0.00 0.11 0.06 0.00 -1.02 0.00 0.00 52.86 52.01 2k4r s ASN 62 Cb -0.13 -1.93 0.34 0.00 0.02 0.00 0.00 41.25 39.54 2k4r s ASN 62 CO 0.03 0.21 0.75 0.00 0.02 0.00 0.00 177.10 178.11 2k4r n ALA 63 N 3.30 1.94 1.05 0.60 0.00 -1.26 -0.67 120.51 125.46 2k4r n ALA 63 Ca -0.17 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.35 2k4r n ALA 63 Cb 0.52 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.72 0.36 0.00 0.00 3.00 -1.26 -4.93 117.38 113.83 2k4r n GLN 64 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 2k4r n GLN 64 Cb 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.76 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 1.46 1.94 3.45 1.08 0.00 0.15 -5.14 105.19 108.13 2k4r n GLY 65 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.00 2.40 -0.41 1.61 1.02 -0.84 -4.94 119.74 118.59 2k4r s LYS 66 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2k4r s LYS 66 Cb 0.00 -2.31 0.16 0.00 -0.52 0.00 0.00 37.83 35.17 2k4r s LYS 66 CO 0.00 0.61 0.36 0.08 -0.92 0.00 0.00 175.35 175.48 2k4r s VAL 67 N -0.73 0.07 0.45 3.17 1.01 -1.26 0.41 120.40 123.53 2k4r s VAL 67 Ca 0.12 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.02 2k4r s VAL 67 Cb -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2k4r s VAL 67 CO 0.01 -0.98 0.11 -1.81 0.00 0.00 0.00 175.10 172.43 2k4r s ASP 68 N 0.49 3.22 -0.06 3.32 1.01 -0.65 -4.12 116.67 119.87 2k4r s ASP 68 Ca 0.28 -1.73 -0.04 0.00 0.71 0.00 0.00 52.55 51.77 2k4r s ASP 68 Cb -0.04 0.63 -0.04 0.00 1.01 0.00 0.00 42.92 44.49 2k4r s ASP 68 CO -0.12 -0.98 0.11 -1.66 0.21 0.00 0.00 175.17 172.72 2k4r s TRP 69 N -3.10 3.43 -0.06 4.23 1.48 -1.26 0.44 118.94 124.10 2k4r s TRP 69 Ca 0.17 0.35 -0.19 0.00 -1.06 0.00 0.00 56.10 55.37 2k4r s TRP 69 Cb 0.01 -1.84 0.04 0.00 -1.16 0.00 0.00 33.47 30.52 2k4r s TRP 69 CO 0.12 0.62 0.44 0.20 -4.06 0.00 0.00 176.95 174.27 2k4r s GLY 70 N -1.35 -0.30 0.29 3.67 0.00 -0.32 -4.87 107.32 104.45 2k4r s GLY 70 Ca 0.19 0.78 -0.28 0.00 0.00 0.00 0.00 44.72 45.41 2k4r s GLY 70 CO 0.09 0.54 1.01 -0.19 0.00 0.00 0.00 173.10 174.55 2k4r s TYR 71 N -0.97 3.68 -2.00 1.90 2.02 -1.26 -1.75 117.35 118.97 2k4r s TYR 71 Ca -0.10 1.78 0.06 0.00 -0.37 0.00 0.00 57.07 58.44 2k4r s TYR 71 Cb -0.03 -3.10 0.36 0.00 -0.40 0.00 0.00 41.96 38.79 2k4r s TYR 71 CO 0.05 -0.10 1.04 0.00 -1.57 0.00 0.00 175.55 174.97 2k4r n ASP 73 N -0.62 2.78 0.00 0.00 8.00 -1.26 -1.23 116.55 124.22 2k4r n ASP 73 Ca 0.05 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.72 2k4r n ASP 73 Cb 0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k4r s GLY 75 N 0.00 -1.29 0.02 0.00 0.00 -1.20 -4.80 107.32 100.05 2k4r s GLY 75 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 2k4r s GLY 75 CO 0.00 3.69 0.92 1.62 0.00 0.00 0.00 173.10 179.34 2k4r s GLN 76 N 1.06 4.57 0.00 2.90 0.74 -1.25 -4.71 119.66 122.96 2k4r s GLN 76 Ca 0.27 1.33 0.00 0.00 0.05 0.00 0.00 55.36 57.01 2k4r s GLN 76 Cb -0.00 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.67 2k4r s GLN 76 CO -0.06 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.14