#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 4.28 0.79 2.47 0.00 0.00 -1.26 -5.04 105.19 106.43 2k4r n GLY 3 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 0.92 -0.59 4.61 0.00 -1.26 -4.91 120.51 116.27 2k4r n ALA 4 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.98 2k4r n ALA 4 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 2.10 0.90 3.41 0.00 0.00 -1.26 -4.93 105.19 105.41 2k4r n GLY 5 Ca 0.20 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 2.95 0.15 1.61 2.12 -1.26 -4.47 118.70 118.74 2k4r s GLU 6 Ca 0.00 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.03 2k4r s GLU 6 Cb 0.00 -3.78 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 2k4r s GLU 6 CO 0.00 -0.67 1.03 -1.25 -0.54 0.00 0.00 175.26 173.84 2k4r s PRO 7 N 1.60 4.65 0.39 4.30 0.04 -1.26 -4.02 135.00 140.70 2k4r s PRO 7 Ca 0.03 1.59 0.23 0.00 0.04 0.00 0.00 61.00 62.90 2k4r s PRO 7 Cb -0.19 -3.32 0.34 0.00 0.04 0.00 0.00 34.50 31.37 2k4r s PRO 7 CO 0.08 0.15 1.55 2.35 0.04 0.00 0.00 177.00 181.17 2k4r h TRP 8 N 5.32 0.00 0.00 0.56 7.01 -1.61 -3.49 115.95 123.73 2k4r h TRP 8 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 2k4r h TRP 8 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 2k4r h TRP 8 CO 0.64 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 2k4r n GLY 9 N 1.13 2.06 1.53 2.65 0.00 -1.26 -4.63 105.19 106.68 2k4r n GLY 9 Ca 0.04 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 3.50 -3.58 1.61 5.03 -1.26 -2.12 115.26 118.43 2k4r n ASN 10 Ca 0.00 -3.77 -0.15 0.00 0.87 0.00 0.00 54.58 51.52 2k4r n ASN 10 Cb 0.00 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.04 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 -3.37 -1.39 0.35 5.41 0.00 -1.26 0.51 121.76 122.00 2k4r s ALA 11 Ca 0.49 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.96 2k4r s ALA 11 Cb 0.43 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.66 2k4r s ALA 11 CO 0.01 -0.43 1.36 0.95 0.00 0.00 0.00 175.76 177.65 2k4r s THR 12 N -1.87 2.52 -1.29 0.00 -4.23 0.40 -3.43 115.64 107.74 2k4r s THR 12 Ca -0.08 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 2k4r s THR 12 Cb -0.01 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.59 2k4r s THR 12 CO 0.03 0.12 1.09 -0.46 -0.54 0.00 0.00 174.62 174.86 2k4r n ASN 13 N 0.63 0.00 0.18 3.99 0.23 0.13 0.24 115.26 120.65 2k4r n ASN 13 Ca 0.01 0.30 0.11 0.00 -0.53 0.00 0.00 54.58 54.46 2k4r n ASN 13 Cb 0.41 -0.35 0.11 0.00 -2.08 0.00 0.00 39.78 37.87 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 -1.83 -3.48 115.31 111.33 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 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2k4r h LEU 14 CO 0.00 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 2k4r n GLY 15 N 1.14 0.99 2.84 3.75 0.00 0.14 -5.12 105.19 108.92 2k4r n GLY 15 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.09 0.71 0.48 1.61 1.01 -1.15 -4.95 120.40 117.02 2k4r s VAL 16 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 2k4r s VAL 16 Cb 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 2k4r s VAL 16 CO 0.00 0.28 1.19 -2.16 0.00 0.00 0.00 175.10 174.42 2k4r s PRO 17 N 1.83 3.65 -0.03 2.72 0.04 -1.26 -0.45 135.00 141.50 2k4r s PRO 17 Ca 0.05 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2k4r s PRO 17 Cb -0.13 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2k4r s PRO 17 CO -0.07 -0.66 0.73 0.00 0.04 0.00 0.00 177.00 177.04 2k4r s LEU 19 N 0.59 2.97 0.22 0.00 2.96 0.17 -4.83 118.68 120.75 2k4r s LEU 19 Ca 0.39 0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 54.76 2k4r s LEU 19 Cb -0.19 -3.50 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 2k4r s LEU 19 CO 0.20 -1.36 1.05 -1.00 -1.32 0.00 0.00 176.35 173.92 2k4r s HIS 20 N -3.21 3.71 0.43 5.38 3.76 -1.26 -4.53 115.29 119.57 2k4r s HIS 20 Ca 0.57 1.73 0.34 0.00 -0.15 0.00 0.00 55.06 57.56 2k4r s HIS 20 Cb -0.11 -3.19 1.75 0.00 1.11 0.00 0.00 32.58 32.15 2k4r s HIS 20 CO 0.47 -0.25 2.16 -1.49 -0.85 0.00 0.00 174.74 174.77 2k4r h TRP 21 N 4.46 0.00 0.00 1.40 4.06 -1.55 0.11 115.95 124.43 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 0.61 0.05 -0.25 -3.47 -3.56 0.00 0.00 178.44 171.82 2k4r n ASP 22 N -3.37 0.74 -0.98 -3.49 2.03 -1.14 -3.56 116.55 106.78 2k4r n ASP 22 Ca -0.02 0.38 0.11 0.00 0.52 0.00 0.00 54.79 55.78 2k4r n ASP 22 Cb 0.19 -0.40 0.14 0.00 -0.72 0.00 0.00 41.12 40.34 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 -2.16 2.24 -3.36 -0.67 1.02 0.35 -4.87 120.64 113.19 2k4r n GLU 23 Ca 0.05 -2.00 -0.39 0.00 -0.02 0.00 0.00 57.16 54.79 2k4r n GLU 23 Cb 0.43 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.67 5.15 0.44 2.62 1.01 -1.11 -4.95 120.40 121.88 2k4r s VAL 24 Ca 0.31 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 2k4r s VAL 24 Cb 0.20 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2k4r s VAL 24 CO 0.29 0.10 1.07 -2.16 0.00 0.00 0.00 175.10 174.40 2k4r s PRO 25 N 2.12 3.98 0.29 2.72 0.04 -1.26 -4.97 135.00 137.93 2k4r s PRO 25 Ca 0.16 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2k4r s PRO 25 Cb -0.16 -2.39 0.45 0.00 0.04 0.00 0.00 34.50 32.44 2k4r s PRO 25 CO 0.10 -0.30 1.94 -1.00 0.04 0.00 0.00 177.00 177.79 2k4r h PRO 26 N 2.14 1.09 -4.54 0.56 0.13 -1.99 -3.33 132.00 126.07 2k4r h PRO 26 Ca -0.49 -0.07 -0.72 0.00 -0.87 0.00 0.00 66.00 63.86 2k4r h PRO 26 Cb 1.22 -0.25 -0.21 0.00 0.13 0.00 0.00 31.00 31.90 2k4r h PRO 26 CO 0.61 0.72 0.06 -0.06 -0.23 0.00 0.00 178.00 179.10 2k4r s PHE 27 N -5.95 3.08 0.28 1.56 0.08 -1.26 -5.01 117.98 110.76 2k4r s PHE 27 Ca -0.12 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 55.90 2k4r s PHE 27 Cb 0.19 -3.97 -0.06 0.00 -0.57 0.00 0.00 43.02 38.61 2k4r s PHE 27 CO 0.80 -1.23 0.00 -1.17 -0.10 0.00 0.00 175.22 173.52 2k4r s LEU 28 N 2.37 2.26 0.31 -0.37 2.96 -1.25 -5.05 118.68 119.91 2k4r s LEU 28 Ca 0.10 -1.26 0.02 0.00 -0.22 0.00 0.00 54.13 52.77 2k4r s LEU 28 Cb -0.24 -0.41 0.57 0.00 0.50 0.00 0.00 46.19 46.60 2k4r s LEU 28 CO 0.05 -0.50 1.92 -0.33 -1.32 0.00 0.00 176.35 176.17 2k4r h GLU 29 N 2.30 0.95 0.00 1.98 5.08 -1.94 -3.43 114.58 119.52 2k4r h GLU 29 Ca -0.40 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.62 2k4r h GLU 29 Cb 1.23 -0.21 0.12 0.00 0.50 0.00 0.00 28.75 30.39 2k4r h GLU 29 CO 0.67 0.63 0.27 2.89 -1.00 0.00 0.00 179.01 182.47 2k4r n ARG 30 N -4.49 -0.94 -3.54 2.33 -4.01 -1.26 -5.09 116.66 99.66 2k4r n ARG 30 Ca 0.13 -1.36 -0.26 0.00 -1.04 0.00 0.00 57.85 55.32 2k4r n ARG 30 Cb 0.20 -0.92 -0.15 0.00 -3.04 0.00 0.00 32.46 28.55 2k4r n ARG 30 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2k4r s SER 31 N -4.21 2.85 0.28 2.89 0.15 -1.26 -5.07 113.70 109.33 2k4r s SER 31 Ca 0.50 -0.97 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 2k4r s SER 31 Cb -0.01 -0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.03 2k4r s SER 31 CO 0.35 -0.40 1.19 -2.16 1.20 0.00 0.00 173.24 173.42 2k4r s PRO 32 N 2.16 4.52 0.56 5.44 0.04 -1.26 -4.91 135.00 141.54 2k4r s PRO 32 Ca 0.07 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.32 2k4r s PRO 32 Cb -0.16 -3.16 1.53 0.00 0.04 0.00 0.00 34.50 32.75 2k4r s PRO 32 CO -0.27 0.02 2.11 -1.00 0.04 0.00 0.00 177.00 177.89 2k4r h PRO 33 N 3.98 0.00 -3.10 0.56 0.13 -2.03 -3.42 132.00 128.11 2k4r h PRO 33 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2k4r h PRO 33 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 2k4r h PRO 33 CO 0.68 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 178.14 2k4r s ALA 34 N -4.82 -0.71 0.27 -0.56 0.00 -1.26 -5.13 121.76 109.55 2k4r s ALA 34 Ca -0.05 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 2k4r s ALA 34 Cb 0.17 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.20 2k4r s ALA 34 CO 0.62 -0.24 1.64 0.45 0.00 0.00 0.00 175.76 178.23 2k4r n SER 35 N 1.45 3.94 -1.00 0.00 2.88 -1.26 -4.90 113.62 114.74 2k4r n SER 35 Ca -0.21 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.53 2k4r n SER 35 Cb 0.56 -1.59 0.24 0.00 -0.75 0.00 0.00 64.21 62.67 2k4r n SER 35 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2k4r n TRP 36 N 2.70 0.88 0.27 0.66 4.27 -1.26 -4.44 117.44 120.53 2k4r n TRP 36 Ca 0.11 -0.62 0.12 0.00 -3.89 0.00 0.00 57.50 53.21 2k4r n TRP 36 Cb 0.36 -0.15 0.76 0.00 -1.36 0.00 0.00 31.31 30.92 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 2.65 1.61 -0.01 -1.67 0.00 -2.01 -0.73 119.26 119.10 2k4r h ALA 37 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k4r h ALA 37 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k4r h ALA 37 CO 0.12 0.06 -0.13 -1.91 0.00 0.00 0.00 179.25 177.39 2k4r n GLU 38 N -4.04 1.16 0.15 0.00 2.13 -1.26 -3.61 120.64 115.17 2k4r n GLU 38 Ca -0.03 -0.64 0.04 0.00 0.66 0.00 0.00 57.16 57.19 2k4r n GLU 38 Cb 0.14 -1.49 0.47 0.00 0.27 0.00 0.00 31.44 30.83 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2k4r h LEU 39 N 1.57 0.17 2.22 4.31 3.38 -1.43 -3.46 115.31 122.06 2k4r h LEU 39 Ca 0.00 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 2k4r h LEU 39 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k4r h LEU 39 CO 0.00 0.25 -0.44 -1.14 0.09 0.00 0.00 178.44 177.20 2k4r n ARG 40 N -4.37 -1.65 -0.81 1.13 0.63 -1.24 -4.86 116.66 105.48 2k4r n ARG 40 Ca -0.01 0.81 0.05 0.00 -0.92 0.00 0.00 57.85 57.79 2k4r n ARG 40 Cb 0.19 -5.26 0.36 0.00 0.45 0.00 0.00 32.46 28.20 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4r n GLY 41 N -1.06 3.38 0.27 5.14 0.00 -1.26 -4.74 105.19 106.92 2k4r n GLY 41 Ca -0.19 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 3.24 -0.12 -0.03 1.61 1.08 -1.89 -1.24 115.11 117.77 2k4r h GLN 42 Ca 0.04 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2k4r h GLN 42 Cb 1.91 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.36 2k4r h GLN 42 CO 0.46 -0.08 0.30 -1.00 -0.95 0.00 0.00 178.83 177.56 2k4r h PRO 43 N -0.13 0.00 0.00 1.46 0.13 -1.96 -3.01 132.00 128.49 2k4r h PRO 43 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2k4r h PRO 43 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2k4r h PRO 43 CO -0.55 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.83 2k4r n HIS 44 N -2.97 -0.23 -4.87 1.56 1.44 -0.47 -5.01 115.22 104.67 2k4r n HIS 44 Ca -0.02 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.44 2k4r n HIS 44 Cb 0.36 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.61 2.15 0.00 4.39 4.22 -1.26 -1.90 114.94 121.93 2k4r s ASN 45 Ca 0.00 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.38 2k4r s ASN 45 Cb 0.00 -0.36 0.00 0.00 1.28 0.00 0.00 41.25 42.17 2k4r s ASN 45 CO 0.00 0.20 0.00 0.33 -2.04 0.00 0.00 177.10 175.59 2k4r n PHE 46 N 2.80 0.00 -1.56 1.54 7.35 -1.26 -4.85 117.46 121.47 2k4r n PHE 46 Ca -0.16 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.04 2k4r n PHE 46 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.56 1.62 -0.49 0.00 1.81 -0.58 -4.83 118.95 115.91 2k4r s ARG 48 Ca 0.71 -0.61 0.06 0.00 -1.72 0.00 0.00 55.73 54.17 2k4r s ARG 48 Cb -0.86 -1.47 0.24 0.00 -0.45 0.00 0.00 34.95 32.41 2k4r s ARG 48 CO 0.54 0.30 0.89 -1.13 -0.68 0.00 0.00 175.30 175.22 2k4r n SER 49 N 2.93 -2.91 -0.03 0.23 3.41 -1.26 -1.88 113.62 114.11 2k4r n SER 49 Ca -0.17 -3.29 -0.13 0.00 -0.26 0.00 0.00 58.87 55.02 2k4r n SER 49 Cb 0.53 1.83 -0.09 0.00 -0.26 0.00 0.00 64.21 66.22 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 4.01 0.13 -2.01 4.33 0.11 -1.94 -3.47 132.00 133.17 2k4r h PRO 50 Ca -0.15 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 2k4r h PRO 50 Cb 1.03 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 2k4r h PRO 50 CO 0.32 0.61 0.09 0.34 -0.21 0.00 0.00 178.00 179.15 2k4r s ASP 51 N -5.88 -0.80 0.00 -2.05 2.15 -1.26 -5.04 116.67 103.79 2k4r s ASP 51 Ca -0.15 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.29 2k4r s ASP 51 Cb 0.03 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 44.08 2k4r s ASP 51 CO 0.71 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 176.07 2k4r n GLY 52 N 3.16 -2.08 1.29 2.66 0.00 -1.26 -4.97 105.19 103.99 2k4r n GLY 52 Ca -0.16 0.67 -0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.74 2.84 -3.00 4.61 0.00 -1.26 -4.96 120.51 117.00 2k4r n ALA 53 Ca 0.00 -1.70 -0.22 0.00 0.00 0.00 0.00 53.44 51.52 2k4r n ALA 53 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 0.31 -0.51 3.22 0.00 0.00 -1.26 -4.97 105.19 101.97 2k4r n GLY 54 Ca -0.06 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.67 0.36 0.26 1.61 3.52 -1.26 -4.73 118.95 113.03 2k4r s ARG 55 Ca 0.28 0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 56.26 2k4r s ARG 55 Cb -0.13 0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.17 2k4r s ARG 55 CO 0.35 -0.14 1.02 -1.25 -0.81 0.00 0.00 175.30 174.47 2k4r s PRO 56 N 1.11 4.75 0.02 5.12 0.04 -1.26 -4.68 135.00 140.09 2k4r s PRO 56 Ca -0.07 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2k4r s PRO 56 Cb -0.08 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2k4r s PRO 56 CO -0.09 0.36 -0.02 1.67 0.04 0.00 0.00 177.00 178.97 2k4r s TRP 57 N -1.18 0.26 0.34 0.56 1.48 -0.79 -1.81 118.94 117.81 2k4r s TRP 57 Ca 0.43 -0.54 0.05 0.00 -1.06 0.00 0.00 56.10 54.97 2k4r s TRP 57 Cb -0.29 -0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 31.80 2k4r s TRP 57 CO 0.36 -0.21 0.19 0.00 -4.06 0.00 0.00 176.95 173.23 2k4r s PHE 59 N -3.44 3.28 -0.06 0.00 0.08 -1.26 -0.24 117.98 116.34 2k4r s PHE 59 Ca 0.33 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.86 2k4r s PHE 59 Cb 0.03 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2k4r s PHE 59 CO 0.20 -0.21 0.21 1.52 -0.10 0.00 0.00 175.22 176.84 2k4r s TYR 60 N 2.02 3.61 -0.16 0.36 1.13 0.15 0.43 117.35 124.89 2k4r s TYR 60 Ca 0.19 0.60 -0.08 0.00 -1.41 0.00 0.00 57.07 56.37 2k4r s TYR 60 Cb -0.16 -1.99 -0.04 0.00 -1.10 0.00 0.00 41.96 38.67 2k4r s TYR 60 CO 0.09 0.69 0.10 0.50 -2.51 0.00 0.00 175.55 174.43 2k4r s ARG 61 N -1.28 3.78 0.20 -3.49 3.52 -0.87 -2.06 118.95 118.77 2k4r s ARG 61 Ca 0.20 -0.24 -0.08 0.00 -0.13 0.00 0.00 55.73 55.48 2k4r s ARG 61 Cb -0.13 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2k4r s ARG 61 CO 0.09 0.49 0.50 -0.80 -0.81 0.00 0.00 175.30 174.77 2k4r s ASN 62 N -0.21 6.59 0.00 -2.12 -0.87 0.13 -4.64 114.94 113.82 2k4r s ASN 62 Ca 0.10 0.83 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 2k4r s ASN 62 Cb -0.12 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 2k4r s ASN 62 CO 0.01 -0.04 0.53 0.00 -2.57 0.00 0.00 177.10 175.04 2k4r n ALA 63 N -0.06 2.10 0.08 0.60 0.00 -1.26 -1.87 120.51 120.10 2k4r n ALA 63 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2k4r n ALA 63 Cb 0.52 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.24 0.62 0.00 0.00 6.02 -1.26 -4.96 117.38 117.56 2k4r n GLN 64 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2k4r n GLN 64 Cb 0.07 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.46 1.02 3.93 1.08 0.00 -0.78 -5.11 105.19 106.79 2k4r n GLY 65 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 3.54 -0.10 1.61 1.02 -1.25 -4.91 119.74 118.99 2k4r s LYS 66 Ca 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 2k4r s LYS 66 Cb 0.00 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 2k4r s LYS 66 CO 0.00 0.23 0.19 0.08 -0.92 0.00 0.00 175.35 174.93 2k4r s VAL 67 N -2.14 -0.29 0.27 3.17 1.01 -1.26 0.19 120.40 121.35 2k4r s VAL 67 Ca 0.41 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.75 2k4r s VAL 67 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2k4r s VAL 67 CO 0.32 0.14 0.18 -1.81 0.00 0.00 0.00 175.10 173.94 2k4r s ASP 68 N 2.29 1.05 0.09 3.32 1.01 -0.87 -4.11 116.67 119.45 2k4r s ASP 68 Ca 0.02 -1.55 -0.04 0.00 0.71 0.00 0.00 52.55 51.69 2k4r s ASP 68 Cb -0.12 0.43 -0.05 0.00 1.01 0.00 0.00 42.92 44.19 2k4r s ASP 68 CO -0.06 -0.92 0.31 -1.66 0.21 0.00 0.00 175.17 173.05 2k4r s TRP 69 N -3.77 3.51 -0.06 4.23 1.48 -1.26 0.30 118.94 123.37 2k4r s TRP 69 Ca 0.38 0.49 -0.18 0.00 -1.06 0.00 0.00 56.10 55.74 2k4r s TRP 69 Cb 0.05 -1.95 0.04 0.00 -1.16 0.00 0.00 33.47 30.45 2k4r s TRP 69 CO 0.18 0.51 0.41 0.20 -4.06 0.00 0.00 176.95 174.20 2k4r s GLY 70 N -2.26 -0.28 0.31 3.67 0.00 0.67 -4.85 107.32 104.58 2k4r s GLY 70 Ca 0.36 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 2k4r s GLY 70 CO 0.23 0.53 1.29 -0.19 0.00 0.00 0.00 173.10 174.96 2k4r s TYR 71 N -0.87 3.13 -1.34 1.90 2.02 -1.26 -1.84 117.35 119.08 2k4r s TYR 71 Ca -0.09 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.02 2k4r s TYR 71 Cb -0.04 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 2k4r s TYR 71 CO 0.04 -1.75 0.61 0.00 -1.57 0.00 0.00 175.55 172.88 2k4r n ASP 73 N -0.14 0.00 -1.95 0.00 8.00 -1.26 -1.88 116.55 119.33 2k4r n ASP 73 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2k4r n ASP 73 Cb 0.15 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.31 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k4r n GLY 75 N -0.65 -0.44 0.13 0.00 0.00 -1.26 -4.95 105.19 98.02 2k4r n GLY 75 Ca 0.28 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.55 0.38 0.00 1.61 4.15 -1.91 -3.52 115.11 114.27 2k4r h GLN 76 Ca -0.54 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 58.23 2k4r h GLN 76 Cb 1.30 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.24 2k4r h GLN 76 CO 0.44 1.29 0.00 0.41 -1.93 0.00 0.00 178.83 179.04