#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 0.61 1.73 2.89 0.00 0.00 -1.26 -5.01 105.19 104.15 2k4r n GLY 3 Ca -0.08 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.18 -3.03 0.00 4.61 0.00 -1.26 -4.71 120.51 115.93 2k4r n ALA 4 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.35 2k4r n ALA 4 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 -0.00 0.99 0.13 0.00 0.00 -1.26 -5.07 105.19 99.98 2k4r n GLY 5 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2k4r n GLY 5 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4r h GLU 6 N 0.00 0.29 -6.00 1.61 5.08 -1.86 -3.46 114.58 110.24 2k4r h GLU 6 Ca 0.00 -0.50 -0.72 0.00 -1.00 0.00 0.00 59.36 57.14 2k4r h GLU 6 Cb 0.00 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2k4r h GLU 6 CO 0.00 1.24 1.33 -2.30 -1.00 0.00 0.00 179.01 178.28 2k4r n PRO 7 N -3.90 0.61 0.07 2.33 -0.02 -0.92 -4.68 135.00 128.49 2k4r n PRO 7 Ca -0.22 0.17 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 2k4r n PRO 7 Cb 0.92 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 2k4r n PRO 7 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2k4r h TRP 8 N 10.47 0.00 0.00 6.00 7.01 -1.80 -3.49 115.95 134.15 2k4r h TRP 8 Ca -0.22 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.78 2k4r h TRP 8 Cb 1.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2k4r h TRP 8 CO 0.95 0.87 0.00 0.41 -2.79 0.00 0.00 178.44 177.88 2k4r n GLY 9 N 1.35 2.13 0.90 2.65 0.00 -1.26 -4.68 105.19 106.28 2k4r n GLY 9 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 1.10 2.22 -3.58 1.61 5.03 -1.26 -1.96 115.26 118.41 2k4r n ASN 10 Ca 0.00 -3.78 -0.20 0.00 0.87 0.00 0.00 54.58 51.47 2k4r n ASN 10 Cb 0.00 -0.59 -0.15 0.00 -1.02 0.00 0.00 39.78 38.02 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 -3.22 -0.01 -0.13 5.41 0.00 -1.26 -0.06 121.76 122.50 2k4r s ALA 11 Ca 0.42 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 2k4r s ALA 11 Cb 0.39 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 2k4r s ALA 11 CO -0.02 -1.01 2.12 0.25 0.00 0.00 0.00 175.76 177.09 2k4r n THR 12 N 5.31 0.50 0.00 0.00 -2.24 0.22 -4.29 114.28 113.77 2k4r n THR 12 Ca -0.06 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2k4r n THR 12 Cb 0.49 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 2k4r n THR 12 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k4r n ASN 13 N 9.84 0.00 -0.29 3.42 4.05 -0.50 -1.78 115.26 130.00 2k4r n ASN 13 Ca 0.27 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.44 2k4r n ASN 13 Cb 0.41 0.00 0.50 0.00 1.23 0.00 0.00 39.78 41.92 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2k4r n LEU 14 N 0.00 1.04 0.00 1.20 7.94 -1.15 -4.29 117.00 121.74 2k4r n LEU 14 Ca 0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 2k4r n LEU 14 Cb 0.00 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.87 2k4r n LEU 14 CO 0.00 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 2k4r n GLY 15 N 1.25 0.21 2.90 -3.96 0.00 -0.73 -5.11 105.19 99.75 2k4r n GLY 15 Ca 0.16 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.96 0.06 1.61 1.01 -1.09 -4.85 120.40 118.10 2k4r s VAL 16 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 61.98 61.38 2k4r s VAL 16 Cb 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 36.38 35.25 2k4r s VAL 16 CO 0.00 0.35 1.58 -0.81 0.00 0.00 0.00 175.10 176.23 2k4r n PRO 17 N 4.90 1.80 -2.45 2.72 -0.04 -1.26 0.69 135.00 141.38 2k4r n PRO 17 Ca -0.13 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 2k4r n PRO 17 Cb 0.50 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 2k4r n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4r s LEU 19 N 0.59 3.29 0.27 0.00 2.96 0.21 -4.78 118.68 121.22 2k4r s LEU 19 Ca 0.56 0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 55.05 2k4r s LEU 19 Cb -0.29 -3.75 -0.09 0.00 0.50 0.00 0.00 46.19 42.55 2k4r s LEU 19 CO 0.31 -0.96 1.03 -1.00 -1.32 0.00 0.00 176.35 174.41 2k4r s HIS 20 N -2.99 3.75 0.14 5.38 3.76 -1.26 -4.49 115.29 119.59 2k4r s HIS 20 Ca 0.53 1.80 0.34 0.00 -0.15 0.00 0.00 55.06 57.57 2k4r s HIS 20 Cb -0.11 -3.14 1.64 0.00 1.11 0.00 0.00 32.58 32.08 2k4r s HIS 20 CO 0.47 -0.10 2.01 -1.49 -0.85 0.00 0.00 174.74 174.78 2k4r h TRP 21 N 3.92 0.00 0.00 1.40 4.06 -1.52 0.21 115.95 124.02 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 0.00 -0.37 0.22 -3.56 0.00 0.00 178.44 175.33 2k4r h ASP 22 N 0.00 0.00 -0.69 -3.49 3.58 -1.76 -3.36 116.42 110.70 2k4r h ASP 22 Ca 0.00 -0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 2k4r h ASP 22 Cb 0.21 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.16 2k4r h ASP 22 CO 0.00 0.05 0.21 -0.62 -2.88 0.00 0.00 179.24 176.00 2k4r n GLU 23 N -2.35 3.88 -2.70 0.28 1.02 0.72 -4.91 120.64 116.58 2k4r n GLU 23 Ca 0.04 -3.11 -0.43 0.00 -0.02 0.00 0.00 57.16 53.64 2k4r n GLU 23 Cb 0.46 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 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 -2.96 4.50 0.51 2.62 1.01 -1.25 -4.90 120.40 119.93 2k4r s VAL 24 Ca 0.55 1.48 -0.18 0.00 0.00 0.00 0.00 61.98 63.82 2k4r s VAL 24 Cb 0.43 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 2k4r s VAL 24 CO 0.14 -0.56 1.02 -2.16 0.00 0.00 0.00 175.10 173.53 2k4r s PRO 25 N 3.69 3.77 0.58 2.72 0.04 -1.26 -4.96 135.00 139.57 2k4r s PRO 25 Ca 0.43 1.19 0.34 0.00 0.04 0.00 0.00 61.00 63.00 2k4r s PRO 25 Cb -0.11 -2.10 1.75 0.00 0.04 0.00 0.00 34.50 34.07 2k4r s PRO 25 CO 0.19 -0.44 2.16 -1.00 0.04 0.00 0.00 177.00 177.95 2k4r h PRO 26 N 1.16 0.00 -4.41 0.56 0.13 -2.02 -3.35 132.00 124.07 2k4r h PRO 26 Ca -0.48 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.92 2k4r h PRO 26 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2k4r h PRO 26 CO 0.59 0.05 -0.07 -0.06 -0.23 0.00 0.00 178.00 178.29 2k4r s PHE 27 N -4.10 3.13 -0.18 1.56 0.40 -1.26 -5.03 117.98 112.50 2k4r s PHE 27 Ca -0.03 -1.08 0.01 0.00 -0.60 0.00 0.00 56.93 55.23 2k4r s PHE 27 Cb 0.12 -3.83 0.02 0.00 0.51 0.00 0.00 43.02 39.84 2k4r s PHE 27 CO 0.52 -1.12 -0.18 -1.17 0.70 0.00 0.00 175.22 173.97 2k4r s LEU 28 N 2.13 2.18 0.28 -0.37 2.96 -1.26 -4.99 118.68 119.61 2k4r s LEU 28 Ca 0.07 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2k4r s LEU 28 Cb -0.27 -1.43 0.68 0.00 0.50 0.00 0.00 46.19 45.68 2k4r s LEU 28 CO 0.05 -0.03 1.69 -0.33 -1.32 0.00 0.00 176.35 176.40 2k4r h GLU 29 N 7.94 0.33 -5.32 1.98 3.07 -1.95 -3.41 114.58 117.22 2k4r h GLU 29 Ca -0.42 -0.02 -0.66 0.00 -0.50 0.00 0.00 59.36 57.76 2k4r h GLU 29 Cb 1.13 -0.08 -0.12 0.00 -0.84 0.00 0.00 28.75 28.84 2k4r h GLU 29 CO 0.60 0.22 -0.50 -0.98 -1.40 0.00 0.00 179.01 176.95 2k4r s ARG 30 N -5.92 2.18 -0.00 2.33 1.04 -1.26 -5.11 118.95 112.21 2k4r s ARG 30 Ca -0.12 -2.33 0.04 0.00 -1.04 0.00 0.00 55.73 52.28 2k4r s ARG 30 Cb 0.25 -1.61 -0.03 0.00 -2.04 0.00 0.00 34.95 31.52 2k4r s ARG 30 CO 0.77 -0.36 -0.10 0.45 -0.04 0.00 0.00 175.30 176.03 2k4r s SER 31 N -3.91 4.39 0.18 -2.89 0.15 -1.26 -5.03 113.70 105.33 2k4r s SER 31 Ca 0.12 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 2k4r s SER 31 Cb 0.02 -0.97 -0.08 0.00 -1.71 0.00 0.00 66.02 63.29 2k4r s SER 31 CO 0.06 0.29 1.03 -2.16 1.20 0.00 0.00 173.24 173.66 2k4r s PRO 32 N -1.29 4.68 0.61 5.44 0.04 -1.26 -4.95 135.00 138.27 2k4r s PRO 32 Ca 0.16 1.60 0.36 0.00 0.04 0.00 0.00 61.00 63.16 2k4r s PRO 32 Cb -0.11 -3.30 1.96 0.00 0.04 0.00 0.00 34.50 33.09 2k4r s PRO 32 CO 0.06 0.22 2.24 -1.00 0.04 0.00 0.00 177.00 178.56 2k4r h PRO 33 N 4.93 0.00 -3.87 0.56 0.13 -2.02 -3.44 132.00 128.29 2k4r h PRO 33 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2k4r h PRO 33 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 2k4r h PRO 33 CO 0.71 0.03 -0.30 0.00 -0.23 0.00 0.00 178.00 178.20 2k4r s ALA 34 N -4.25 -0.00 -0.29 -0.56 0.00 -1.26 -5.11 121.76 110.29 2k4r s ALA 34 Ca -0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 2k4r s ALA 34 Cb 0.13 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 2k4r s ALA 34 CO 0.50 -0.67 1.44 0.45 0.00 0.00 0.00 175.76 177.48 2k4r s SER 35 N -2.98 6.51 0.00 0.00 0.15 -1.26 -4.88 113.70 111.24 2k4r s SER 35 Ca 0.18 1.31 0.22 0.00 0.70 0.00 0.00 55.95 58.36 2k4r s SER 35 Cb 0.03 -2.54 0.50 0.00 -1.71 0.00 0.00 66.02 62.30 2k4r s SER 35 CO 0.01 -1.20 1.44 -2.67 1.20 0.00 0.00 173.24 172.02 2k4r n TRP 36 N 8.14 0.55 0.28 3.44 4.27 -1.26 -3.99 117.44 128.87 2k4r n TRP 36 Ca 0.17 -0.27 0.14 0.00 -3.89 0.00 0.00 57.50 53.64 2k4r n TRP 36 Cb 0.46 0.00 0.84 0.00 -1.36 0.00 0.00 31.31 31.25 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 4.40 1.50 0.00 -1.67 0.00 -2.00 0.43 119.26 121.93 2k4r h ALA 37 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k4r h ALA 37 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k4r h ALA 37 CO 0.00 0.05 0.00 1.49 0.00 0.00 0.00 179.25 180.79 2k4r h GLU 38 N 0.00 0.00 -0.07 0.00 4.81 -2.00 -3.05 114.58 114.27 2k4r h GLU 38 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2k4r h GLU 38 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k4r h GLU 38 CO 0.00 0.00 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.99 2k4r h LEU 39 N 0.00 0.12 2.56 1.64 3.38 -1.18 -3.46 115.31 118.37 2k4r h LEU 39 Ca 0.00 -0.03 -0.40 0.00 0.09 0.00 0.00 57.88 57.54 2k4r h LEU 39 Cb 0.60 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k4r h LEU 39 CO 0.00 0.36 -0.53 0.54 0.09 0.00 0.00 178.44 178.90 2k4r n ARG 40 N -4.22 -2.15 -1.03 1.13 1.74 -1.16 -4.86 116.66 106.12 2k4r n ARG 40 Ca -0.01 0.97 -0.11 0.00 -0.77 0.00 0.00 57.85 57.92 2k4r n ARG 40 Cb 0.32 -5.62 0.25 0.00 -1.02 0.00 0.00 32.46 26.38 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 -1.10 3.79 0.33 -0.13 0.00 -1.26 -4.75 105.19 102.06 2k4r n GLY 41 Ca -0.22 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 1.99 -0.28 -0.01 1.61 1.08 -1.89 -1.00 115.11 116.62 2k4r h GLN 42 Ca 0.37 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 2k4r h GLN 42 Cb 2.43 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.92 2k4r h GLN 42 CO 0.82 -0.18 0.06 -1.00 -0.95 0.00 0.00 178.83 177.57 2k4r h PRO 43 N -0.29 0.00 0.00 1.46 0.13 -1.96 -3.04 132.00 128.30 2k4r h PRO 43 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2k4r h PRO 43 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2k4r h PRO 43 CO -0.47 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.91 2k4r n HIS 44 N -3.14 0.00 -4.62 1.56 1.44 -0.38 -5.00 115.22 105.08 2k4r n HIS 44 Ca -0.03 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.45 2k4r n HIS 44 Cb 0.13 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.79 1.67 0.00 4.39 4.22 -1.26 -1.88 114.94 121.30 2k4r s ASN 45 Ca 0.00 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.46 2k4r s ASN 45 Cb 0.00 -0.37 0.00 0.00 1.28 0.00 0.00 41.25 42.16 2k4r s ASN 45 CO 0.00 0.13 0.00 0.33 -2.04 0.00 0.00 177.10 175.52 2k4r n PHE 46 N 3.07 0.00 -1.57 1.54 7.35 -1.26 -4.81 117.46 121.78 2k4r n PHE 46 Ca -0.17 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.03 2k4r n PHE 46 Cb 0.54 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 -0.42 0.21 -0.29 0.00 1.81 0.31 -4.75 118.95 115.82 2k4r s ARG 48 Ca 0.73 0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.93 2k4r s ARG 48 Cb -0.87 -0.54 0.20 0.00 -0.45 0.00 0.00 34.95 33.28 2k4r s ARG 48 CO 0.53 -0.22 0.72 0.45 -0.68 0.00 0.00 175.30 176.09 2k4r s SER 49 N 1.49 -1.29 0.02 0.23 0.15 -1.26 -2.17 113.70 110.87 2k4r s SER 49 Ca -0.03 0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.61 2k4r s SER 49 Cb -0.13 1.83 -0.20 0.00 -1.71 0.00 0.00 66.02 65.82 2k4r s SER 49 CO -0.03 -0.24 1.18 -0.65 1.20 0.00 0.00 173.24 174.71 2k4r h PRO 50 N 7.81 0.44 0.00 5.44 0.11 -1.95 -3.42 132.00 140.43 2k4r h PRO 50 Ca -0.04 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k4r h PRO 50 Cb 1.18 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2k4r h PRO 50 CO 0.09 1.02 0.00 -3.47 -0.21 0.00 0.00 178.00 175.43 2k4r n ASP 51 N -4.29 1.57 0.00 -2.05 2.03 -1.26 -4.80 116.55 107.75 2k4r n ASP 51 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k4r n ASP 51 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 1.17 0.01 0.27 0.00 -1.26 -2.10 105.19 103.28 2k4r n GLY 52 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.01 -0.99 4.61 0.00 -1.26 -5.01 120.51 119.87 2k4r n ALA 53 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k4r n ALA 53 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 2.59 0.80 2.70 0.00 0.00 -0.89 -4.98 105.19 105.40 2k4r n GLY 54 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 0.04 0.06 1.61 3.52 -1.26 -4.98 118.95 117.88 2k4r s ARG 55 Ca 0.00 0.32 -0.35 0.00 -0.13 0.00 0.00 55.73 55.57 2k4r s ARG 55 Cb 0.00 -0.57 -0.14 0.00 -1.56 0.00 0.00 34.95 32.68 2k4r s ARG 55 CO 0.00 -0.31 1.58 -0.35 -0.81 0.00 0.00 175.30 175.41 2k4r n PRO 56 N 5.18 1.81 -4.08 5.12 -0.04 -1.26 -4.69 135.00 137.04 2k4r n PRO 56 Ca -0.06 0.65 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2k4r n PRO 56 Cb 0.50 -2.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 2k4r n PRO 56 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2k4r s TRP 57 N 1.60 0.65 0.39 0.54 1.48 -0.92 -1.49 118.94 121.18 2k4r s TRP 57 Ca 0.84 -0.67 0.04 0.00 -1.06 0.00 0.00 56.10 55.25 2k4r s TRP 57 Cb -0.79 -0.40 -0.03 0.00 -1.16 0.00 0.00 33.47 31.10 2k4r s TRP 57 CO 0.45 -0.15 0.13 0.00 -4.06 0.00 0.00 176.95 173.33 2k4r s PHE 59 N -3.27 3.54 -0.16 0.00 0.08 -1.26 -0.77 117.98 116.14 2k4r s PHE 59 Ca 0.27 0.76 -0.07 0.00 0.12 0.00 0.00 56.93 58.01 2k4r s PHE 59 Cb 0.03 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2k4r s PHE 59 CO 0.16 0.34 0.09 1.52 -0.10 0.00 0.00 175.22 177.22 2k4r s TYR 60 N 0.09 3.36 -0.19 0.36 -0.85 0.15 0.66 117.35 120.94 2k4r s TYR 60 Ca 0.21 0.25 0.01 0.00 -0.52 0.00 0.00 57.07 57.02 2k4r s TYR 60 Cb -0.14 -2.04 0.02 0.00 0.38 0.00 0.00 41.96 40.18 2k4r s TYR 60 CO 0.08 0.35 -0.19 0.50 -1.52 0.00 0.00 175.55 174.77 2k4r s ARG 61 N -0.08 2.97 0.07 -3.49 3.52 -0.71 -1.50 118.95 119.72 2k4r s ARG 61 Ca 0.08 -0.85 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2k4r s ARG 61 Cb -0.12 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2k4r s ARG 61 CO 0.01 -0.23 0.31 -0.80 -0.81 0.00 0.00 175.30 173.78 2k4r s ASN 62 N 1.29 6.49 0.00 -2.12 0.01 0.21 -4.73 114.94 116.09 2k4r s ASN 62 Ca 0.04 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 2k4r s ASN 62 Cb -0.13 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.45 2k4r s ASN 62 CO -0.12 0.16 0.45 0.00 -1.51 0.00 0.00 177.10 176.08 2k4r n ALA 63 N 0.61 2.15 0.10 0.60 0.00 -1.26 -0.88 120.51 121.83 2k4r n ALA 63 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2k4r n ALA 63 Cb 0.52 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 19.12 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 0.00 2.14 -1.37 0.00 3.00 -1.26 -4.95 117.38 114.95 2k4r n GLN 64 Ca 0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 2k4r n GLN 64 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.06 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 0.87 0.98 3.19 1.08 0.00 -0.06 -5.06 105.19 106.18 2k4r n GLY 65 Ca 0.13 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.96 3.09 -0.43 1.61 1.02 -0.94 -4.95 119.74 116.17 2k4r s LYS 66 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2k4r s LYS 66 Cb 0.00 -2.59 0.13 0.00 -0.52 0.00 0.00 37.83 34.85 2k4r s LYS 66 CO 0.00 -0.10 0.23 0.08 -0.92 0.00 0.00 175.35 174.63 2k4r s VAL 67 N 1.07 1.47 0.11 3.17 1.01 -1.25 0.65 120.40 126.63 2k4r s VAL 67 Ca -0.01 -2.53 0.01 0.00 0.00 0.00 0.00 61.98 59.46 2k4r s VAL 67 Cb -0.14 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 2k4r s VAL 67 CO -0.06 -0.87 0.03 0.47 0.00 0.00 0.00 175.10 174.67 2k4r n ASP 68 N 3.62 1.32 -4.57 3.32 8.00 -0.56 -3.89 116.55 123.78 2k4r n ASP 68 Ca 0.07 -1.55 -0.28 0.00 0.71 0.00 0.00 54.79 53.75 2k4r n ASP 68 Cb 0.35 0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 2k4r n ASP 68 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2k4r s TRP 69 N -1.82 2.66 -0.13 1.24 1.48 -1.26 0.33 118.94 121.44 2k4r s TRP 69 Ca 0.04 -0.21 -0.15 0.00 -1.06 0.00 0.00 56.10 54.72 2k4r s TRP 69 Cb 0.00 -1.34 0.04 0.00 -1.16 0.00 0.00 33.47 31.01 2k4r s TRP 69 CO 0.03 0.47 0.41 0.20 -4.06 0.00 0.00 176.95 174.00 2k4r s GLY 70 N -2.58 -0.30 0.29 3.67 0.00 0.05 -4.84 107.32 103.61 2k4r s GLY 70 Ca 0.23 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.73 2k4r s GLY 70 CO 0.14 0.89 1.11 -0.19 0.00 0.00 0.00 173.10 175.06 2k4r s TYR 71 N -0.03 3.52 -1.00 1.90 2.02 -1.26 -1.95 117.35 120.54 2k4r s TYR 71 Ca -0.02 1.68 -0.02 0.00 -0.37 0.00 0.00 57.07 58.34 2k4r s TYR 71 Cb -0.03 -3.30 0.30 0.00 -0.40 0.00 0.00 41.96 38.52 2k4r s TYR 71 CO 0.01 -0.65 1.97 0.00 -1.57 0.00 0.00 175.55 175.31 2k4r n ASP 73 N 0.07 0.00 0.00 0.00 9.92 -1.26 -2.15 116.55 123.12 2k4r n ASP 73 Ca 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2k4r n ASP 73 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k4r s GLY 75 N -3.52 -0.01 0.00 0.00 0.00 -1.26 -2.94 107.32 99.58 2k4r s GLY 75 Ca 0.00 0.50 0.17 0.00 0.00 0.00 0.00 44.72 45.39 2k4r s GLY 75 CO 0.00 1.98 1.63 0.61 0.00 0.00 0.00 173.10 177.31 2k4r n GLN 76 N 5.33 1.07 0.00 2.90 0.00 -1.26 -5.12 117.38 120.30 2k4r n GLN 76 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 57.00 56.84 2k4r n GLN 76 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.46 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47