#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 5.34 0.21 2.59 0.00 0.00 -1.26 -5.08 105.19 106.99 2k4r n GLY 3 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2k4r n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r s ALA 4 N -2.87 0.47 -0.59 4.61 0.00 -1.26 -4.92 121.76 117.21 2k4r s ALA 4 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 2k4r s ALA 4 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2k4r s ALA 4 CO 0.00 -1.33 0.64 0.41 0.00 0.00 0.00 175.76 175.49 2k4r n GLY 5 N 5.27 -1.02 2.90 0.00 0.00 -1.17 -5.02 105.19 106.15 2k4r n GLY 5 Ca -0.07 0.91 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 2k4r n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4r s GLU 6 N -3.05 1.23 -0.21 1.61 -1.05 0.60 -4.91 118.70 112.90 2k4r s GLU 6 Ca 0.16 -0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.51 2k4r s GLU 6 Cb -0.03 -1.27 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 2k4r s GLU 6 CO 0.80 -0.18 1.13 -2.14 0.95 0.00 0.00 175.26 175.82 2k4r s PRO 7 N 1.39 4.24 0.21 -4.83 0.02 -1.11 -4.06 135.00 130.85 2k4r s PRO 7 Ca -0.02 1.46 0.26 0.00 0.02 0.00 0.00 61.00 62.71 2k4r s PRO 7 Cb -0.13 -3.69 0.73 0.00 0.02 0.00 0.00 34.50 31.43 2k4r s PRO 7 CO -0.03 -0.68 1.72 2.35 -0.33 0.00 0.00 177.00 180.03 2k4r h TRP 8 N 7.78 0.00 0.00 6.54 7.01 -1.85 -3.48 115.95 131.94 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 1.08 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 2k4r h TRP 8 CO 0.77 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.83 2k4r n GLY 9 N 1.30 2.11 1.82 2.65 0.00 -1.26 -4.54 105.19 107.28 2k4r n GLY 9 Ca 0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 2.66 4.77 -3.62 1.61 5.03 -1.26 -1.75 115.26 122.70 2k4r n ASN 10 Ca 0.00 -3.78 -0.16 0.00 0.87 0.00 0.00 54.58 51.51 2k4r n ASN 10 Cb 0.00 -0.53 -0.07 0.00 -1.02 0.00 0.00 39.78 38.16 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 -3.56 -1.33 -0.85 5.41 0.00 -1.26 0.10 121.76 120.28 2k4r s ALA 11 Ca 0.52 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 2k4r s ALA 11 Cb 0.43 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 23.52 2k4r s ALA 11 CO 0.01 -0.35 2.01 0.25 0.00 0.00 0.00 175.76 177.68 2k4r n THR 12 N 0.98 2.11 0.00 0.00 -2.24 0.20 -3.73 114.28 111.60 2k4r n THR 12 Ca -0.20 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 2k4r n THR 12 Cb 0.57 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 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 6.17 0.00 -1.16 3.42 0.23 -1.26 -0.97 115.26 121.69 2k4r n ASN 13 Ca 0.48 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.64 2k4r n ASN 13 Cb 0.30 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.24 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 3.57 0.00 -4.53 7.94 -1.26 -4.82 117.00 117.89 2k4r n LEU 14 Ca 0.00 -1.73 0.00 0.00 -1.11 0.00 0.00 56.01 53.17 2k4r n LEU 14 Cb 0.00 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.61 2k4r n LEU 14 CO 0.00 0.83 0.00 0.61 -1.11 0.00 0.00 177.39 177.72 2k4r n GLY 15 N 1.44 0.42 3.12 -3.96 0.00 -0.14 -5.12 105.19 100.95 2k4r n GLY 15 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 1.23 0.50 1.61 1.01 -1.26 -4.83 120.40 119.17 2k4r s VAL 16 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2k4r s VAL 16 Cb 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 2k4r s VAL 16 CO 0.00 0.35 1.21 -2.65 0.00 0.00 0.00 175.10 174.02 2k4r n PRO 17 N 2.90 1.57 -2.73 2.72 -0.02 -1.26 -0.63 135.00 137.55 2k4r n PRO 17 Ca -0.16 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2k4r n PRO 17 Cb 0.54 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.08 2.85 0.13 0.00 2.96 0.21 -4.81 118.68 121.11 2k4r s LEU 19 Ca 0.51 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 55.46 2k4r s LEU 19 Cb -0.21 -4.10 -0.07 0.00 0.50 0.00 0.00 46.19 42.31 2k4r s LEU 19 CO 0.26 -1.60 1.08 -1.00 -1.32 0.00 0.00 176.35 173.78 2k4r s HIS 20 N -3.18 3.61 0.48 5.38 3.76 -1.26 -4.50 115.29 119.58 2k4r s HIS 20 Ca 0.59 1.59 0.16 0.00 -0.15 0.00 0.00 55.06 57.25 2k4r s HIS 20 Cb -0.13 -3.25 1.14 0.00 1.11 0.00 0.00 32.58 31.45 2k4r s HIS 20 CO 0.54 -0.54 2.07 -1.49 -0.85 0.00 0.00 174.74 174.46 2k4r h TRP 21 N 5.59 0.00 -0.00 1.40 4.06 -1.40 0.21 115.95 125.79 2k4r h TRP 21 Ca -0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.52 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 0.64 0.10 -0.12 -3.47 -3.56 0.00 0.00 178.44 172.03 2k4r n ASP 22 N -4.39 0.46 -1.19 -3.49 2.03 -0.63 -3.25 116.55 106.09 2k4r n ASP 22 Ca -0.03 -0.51 0.11 0.00 0.52 0.00 0.00 54.79 54.88 2k4r n ASP 22 Cb 0.18 -0.08 0.26 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 -1.00 2.62 -3.17 -0.67 -0.58 0.71 -4.89 120.64 113.67 2k4r n GLU 23 Ca 0.14 -2.44 -0.41 0.00 -0.42 0.00 0.00 57.16 54.03 2k4r n GLU 23 Cb 0.28 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.16 4.99 0.40 2.62 1.01 -1.17 -4.91 120.40 122.18 2k4r s VAL 24 Ca 0.42 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 2k4r s VAL 24 Cb 0.23 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2k4r s VAL 24 CO 0.30 -0.07 1.18 -2.16 0.00 0.00 0.00 175.10 174.35 2k4r s PRO 25 N 2.48 4.04 0.49 2.72 0.04 -1.26 -4.94 135.00 138.56 2k4r s PRO 25 Ca 0.23 1.85 0.23 0.00 0.04 0.00 0.00 61.00 63.35 2k4r s PRO 25 Cb -0.15 -2.67 1.26 0.00 0.04 0.00 0.00 34.50 32.98 2k4r s PRO 25 CO 0.11 -0.34 2.02 -1.00 0.04 0.00 0.00 177.00 177.83 2k4r h PRO 26 N 2.62 0.00 -4.22 0.56 0.13 -2.00 -3.31 132.00 125.77 2k4r h PRO 26 Ca -0.49 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.89 2k4r h PRO 26 Cb 1.24 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 2k4r h PRO 26 CO 0.62 0.16 0.16 -0.06 -0.23 0.00 0.00 178.00 178.66 2k4r s PHE 27 N -4.27 3.43 0.35 1.56 0.08 -1.26 -5.03 117.98 112.85 2k4r s PHE 27 Ca -0.03 -1.58 0.08 0.00 0.12 0.00 0.00 56.93 55.52 2k4r s PHE 27 Cb 0.14 -3.92 -0.04 0.00 -0.57 0.00 0.00 43.02 38.62 2k4r s PHE 27 CO 0.62 -1.13 0.18 -1.17 -0.10 0.00 0.00 175.22 173.62 2k4r s LEU 28 N 1.28 3.29 -0.10 -0.37 2.96 -1.25 -5.06 118.68 119.43 2k4r s LEU 28 Ca 0.16 -0.77 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 2k4r s LEU 28 Cb -0.15 -1.78 -0.17 0.00 0.50 0.00 0.00 46.19 44.58 2k4r s LEU 28 CO -0.04 -0.35 0.70 -0.33 -1.32 0.00 0.00 176.35 175.00 2k4r h GLU 29 N 1.47 -0.07 -6.68 1.98 5.08 -1.93 -3.45 114.58 110.99 2k4r h GLU 29 Ca -0.44 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.43 2k4r h GLU 29 Cb 1.25 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2k4r h GLU 29 CO 0.63 0.53 0.12 1.03 -1.00 0.00 0.00 179.01 180.32 2k4r s ARG 30 N -2.63 4.13 -0.20 2.33 1.81 -1.26 -5.06 118.95 118.07 2k4r s ARG 30 Ca -0.13 0.79 -0.15 0.00 -1.72 0.00 0.00 55.73 54.52 2k4r s ARG 30 Cb -0.01 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 2k4r s ARG 30 CO 0.49 0.25 0.35 0.45 -0.68 0.00 0.00 175.30 176.16 2k4r s SER 31 N -1.99 6.38 0.33 0.23 0.15 -1.26 -4.92 113.70 112.62 2k4r s SER 31 Ca 0.50 0.44 -0.26 0.00 0.70 0.00 0.00 55.95 57.33 2k4r s SER 31 Cb -0.13 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2k4r s SER 31 CO 0.19 -0.03 1.02 -2.16 1.20 0.00 0.00 173.24 173.46 2k4r s PRO 32 N 1.18 4.46 0.57 5.44 0.04 -1.26 -4.95 135.00 140.47 2k4r s PRO 32 Ca 0.17 1.54 0.34 0.00 0.04 0.00 0.00 61.00 63.08 2k4r s PRO 32 Cb -0.14 -2.84 1.68 0.00 0.04 0.00 0.00 34.50 33.24 2k4r s PRO 32 CO 0.07 0.12 2.13 -1.35 0.04 0.00 0.00 177.00 178.00 2k4r h PRO 33 N 3.16 0.00 -3.35 0.56 0.11 -2.03 -3.44 132.00 127.02 2k4r h PRO 33 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2k4r h PRO 33 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 2k4r h PRO 33 CO 0.65 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 2k4r s ALA 34 N -4.03 -0.88 -0.21 -0.75 0.00 -1.26 -5.11 121.76 109.50 2k4r s ALA 34 Ca -0.02 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 2k4r s ALA 34 Cb 0.12 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 2k4r s ALA 34 CO 0.53 -0.78 1.71 0.45 0.00 0.00 0.00 175.76 177.67 2k4r s SER 35 N -2.87 6.25 0.00 0.00 0.15 -1.26 -4.86 113.70 111.11 2k4r s SER 35 Ca 0.09 1.68 0.21 0.00 0.70 0.00 0.00 55.95 58.64 2k4r s SER 35 Cb -0.00 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.31 2k4r s SER 35 CO -0.04 -1.36 1.46 -2.67 1.20 0.00 0.00 173.24 171.84 2k4r n TRP 36 N 8.87 0.67 -0.11 3.44 4.27 -1.26 -4.20 117.44 129.12 2k4r n TRP 36 Ca 0.20 -0.34 0.17 0.00 -3.89 0.00 0.00 57.50 53.64 2k4r n TRP 36 Cb 0.45 0.00 0.56 0.00 -1.36 0.00 0.00 31.31 30.96 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 4.31 2.23 -0.37 -1.67 0.00 -2.00 0.20 119.26 121.97 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 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k4r h ALA 37 CO 0.00 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.23 2k4r n GLU 38 N -4.44 2.09 0.19 0.00 1.02 -1.26 -3.37 120.64 114.86 2k4r n GLU 38 Ca 0.13 -1.42 0.04 0.00 -0.02 0.00 0.00 57.16 55.88 2k4r n GLU 38 Cb 0.54 -1.40 0.39 0.00 -0.02 0.00 0.00 31.44 30.95 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 2.21 0.00 0.04 -4.62 3.38 -0.87 -3.47 115.31 111.98 2k4r h LEU 39 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2k4r h LEU 39 Cb 0.64 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.45 2k4r h LEU 39 CO 0.04 0.36 -0.42 -1.14 0.09 0.00 0.00 178.44 177.37 2k4r n ARG 40 N -3.95 -3.98 -0.41 1.13 0.63 -1.22 -4.89 116.66 103.98 2k4r n ARG 40 Ca -0.02 0.60 0.06 0.00 -0.92 0.00 0.00 57.85 57.57 2k4r n ARG 40 Cb 0.41 -4.83 0.20 0.00 0.45 0.00 0.00 32.46 28.69 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 -1.35 4.72 0.41 5.14 0.00 -1.26 -4.90 105.19 107.95 2k4r n GLY 41 Ca -0.05 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 0.84 -0.46 -0.01 1.61 1.08 -1.90 -1.46 115.11 114.82 2k4r h GLN 42 Ca 0.04 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2k4r h GLN 42 Cb 1.25 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2k4r h GLN 42 CO 0.13 -0.30 0.03 -1.00 -0.95 0.00 0.00 178.83 176.74 2k4r h PRO 43 N -0.47 0.00 0.00 1.46 0.13 -1.95 -1.66 132.00 129.50 2k4r h PRO 43 Ca 0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 2k4r h PRO 43 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2k4r h PRO 43 CO -0.44 0.00 -0.02 -2.39 -0.23 0.00 0.00 178.00 174.92 2k4r n HIS 44 N -3.31 0.01 -4.68 1.56 1.44 -0.55 -4.94 115.22 104.75 2k4r n HIS 44 Ca -0.03 -0.13 -0.23 0.00 -2.01 0.00 0.00 57.72 55.32 2k4r n HIS 44 Cb 0.10 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.12 1.78 0.00 4.39 4.22 -1.26 -1.80 114.94 121.14 2k4r s ASN 45 Ca 0.01 -0.28 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 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 0.01 0.15 0.00 0.33 -2.04 0.00 0.00 177.10 175.54 2k4r n PHE 46 N 2.98 0.00 -1.53 1.54 7.35 -1.26 -4.83 117.46 121.71 2k4r n PHE 46 Ca -0.16 0.00 -0.50 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 -0.59 0.61 -0.31 0.00 1.81 0.27 -4.80 118.95 115.94 2k4r s ARG 48 Ca 0.72 -0.02 0.03 0.00 -1.72 0.00 0.00 55.73 54.74 2k4r s ARG 48 Cb -0.91 -0.71 0.19 0.00 -0.45 0.00 0.00 34.95 33.07 2k4r s ARG 48 CO 0.55 -0.12 0.68 0.45 -0.68 0.00 0.00 175.30 176.18 2k4r s SER 49 N 1.03 -1.39 0.05 0.23 0.15 -1.26 -1.99 113.70 110.52 2k4r s SER 49 Ca -0.09 0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.33 2k4r s SER 49 Cb -0.14 1.86 -0.15 0.00 -1.71 0.00 0.00 66.02 65.88 2k4r s SER 49 CO -0.01 -0.24 1.52 -0.65 1.20 0.00 0.00 173.24 175.06 2k4r h PRO 50 N 7.64 0.12 -0.10 5.44 0.11 -1.94 -3.41 132.00 139.86 2k4r h PRO 50 Ca -0.01 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.82 2k4r h PRO 50 Cb 1.19 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 2k4r h PRO 50 CO 0.10 0.33 -0.49 -3.47 -0.21 0.00 0.00 178.00 174.26 2k4r n ASP 51 N -4.89 -2.30 0.02 -2.05 2.03 -1.26 -5.00 116.55 103.10 2k4r n ASP 51 Ca -0.06 -3.60 -0.01 0.00 0.52 0.00 0.00 54.79 51.64 2k4r n ASP 51 Cb 0.16 1.79 -0.00 0.00 -0.72 0.00 0.00 41.12 42.34 2k4r n ASP 51 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2k4r h GLY 52 N 3.19 -0.07 -3.06 0.27 0.00 -1.84 -3.45 103.07 98.11 2k4r h GLY 52 Ca -0.10 0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 2k4r h GLY 52 CO 0.18 -0.03 -0.52 0.00 0.00 0.00 0.00 176.54 176.18 2k4r n ALA 53 N -2.15 3.20 -1.60 3.60 0.00 -1.26 -4.92 120.51 117.38 2k4r n ALA 53 Ca -0.01 -1.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 2k4r n ALA 53 Cb 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.23 0.94 3.12 0.00 0.00 -1.26 -4.99 105.19 102.76 2k4r n GLY 54 Ca -0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.47 0.25 0.52 1.61 3.52 -1.26 -5.14 118.95 114.99 2k4r s ARG 55 Ca 0.00 0.85 -0.18 0.00 -0.13 0.00 0.00 55.73 56.28 2k4r s ARG 55 Cb 0.00 0.07 -0.07 0.00 -1.56 0.00 0.00 34.95 33.39 2k4r s ARG 55 CO 0.00 -0.31 1.02 -1.25 -0.81 0.00 0.00 175.30 173.94 2k4r s PRO 56 N 2.52 3.74 0.05 5.12 0.04 -1.26 -4.70 135.00 140.51 2k4r s PRO 56 Ca 0.01 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 2k4r s PRO 56 Cb -0.12 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2k4r s PRO 56 CO -0.11 -0.45 0.02 1.67 0.04 0.00 0.00 177.00 178.17 2k4r s TRP 57 N -2.38 0.36 0.23 0.56 1.48 -0.84 0.01 118.94 118.36 2k4r s TRP 57 Ca 0.63 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.88 2k4r s TRP 57 Cb -0.13 -0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 31.87 2k4r s TRP 57 CO 0.28 -0.36 0.13 0.00 -4.06 0.00 0.00 176.95 172.95 2k4r s PHE 59 N -3.96 3.35 -0.04 0.00 0.08 -1.26 -0.66 117.98 115.48 2k4r s PHE 59 Ca 0.38 0.72 -0.04 0.00 0.12 0.00 0.00 56.93 58.11 2k4r s PHE 59 Cb 0.07 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2k4r s PHE 59 CO 0.14 -0.13 0.17 1.52 -0.10 0.00 0.00 175.22 176.82 2k4r s TYR 60 N 1.73 3.56 -0.15 0.36 -0.85 0.18 0.68 117.35 122.86 2k4r s TYR 60 Ca 0.23 0.41 -0.06 0.00 -0.52 0.00 0.00 57.07 57.13 2k4r s TYR 60 Cb -0.15 -1.86 -0.04 0.00 0.38 0.00 0.00 41.96 40.29 2k4r s TYR 60 CO 0.09 0.67 0.04 0.50 -1.52 0.00 0.00 175.55 175.33 2k4r s ARG 61 N -1.68 3.67 0.39 -3.49 3.52 -0.83 -2.06 118.95 118.47 2k4r s ARG 61 Ca 0.24 -0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.42 2k4r s ARG 61 Cb -0.12 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2k4r s ARG 61 CO 0.15 0.41 0.68 -0.80 -0.81 0.00 0.00 175.30 174.92 2k4r s ASN 62 N -0.03 6.36 0.00 -2.12 -0.87 0.71 -4.61 114.94 114.39 2k4r s ASN 62 Ca 0.05 0.82 0.00 0.00 -1.57 0.00 0.00 52.86 52.16 2k4r s ASN 62 Cb -0.12 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 2k4r s ASN 62 CO 0.01 -0.40 0.67 0.00 -2.57 0.00 0.00 177.10 174.81 2k4r n ALA 63 N -1.67 2.19 0.70 0.60 0.00 -1.26 -1.09 120.51 119.97 2k4r n ALA 63 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2k4r n ALA 63 Cb 0.55 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.44 1.22 -0.21 0.00 6.02 -1.26 -4.95 117.38 117.75 2k4r n GLN 64 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k4r n GLN 64 Cb 0.02 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 1.42 0.89 3.93 1.08 0.00 -0.25 -5.09 105.19 107.17 2k4r n GLY 65 Ca 0.02 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.44 3.53 -0.10 1.61 1.02 -1.23 -4.88 119.74 119.24 2k4r s LYS 66 Ca 0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 2k4r s LYS 66 Cb 0.00 -2.74 0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2k4r s LYS 66 CO 0.00 0.27 0.06 0.08 -0.92 0.00 0.00 175.35 174.84 2k4r s VAL 67 N -2.07 0.03 0.28 3.17 1.01 -1.26 -0.20 120.40 121.35 2k4r s VAL 67 Ca 0.40 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2k4r s VAL 67 Cb -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2k4r s VAL 67 CO 0.32 -0.01 0.13 -1.81 0.00 0.00 0.00 175.10 173.73 2k4r s ASP 68 N 2.10 1.28 0.11 3.32 1.01 -0.88 -3.75 116.67 119.87 2k4r s ASP 68 Ca 0.03 -1.47 0.07 0.00 0.71 0.00 0.00 52.55 51.89 2k4r s ASP 68 Cb -0.14 0.30 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 2k4r s ASP 68 CO -0.06 -0.82 -0.09 -1.66 0.21 0.00 0.00 175.17 172.75 2k4r s TRP 69 N -3.72 2.74 -0.05 4.23 1.48 -1.26 0.49 118.94 122.85 2k4r s TRP 69 Ca 0.37 -0.16 -0.18 0.00 -1.06 0.00 0.00 56.10 55.07 2k4r s TRP 69 Cb 0.06 -1.42 0.04 0.00 -1.16 0.00 0.00 33.47 30.98 2k4r s TRP 69 CO 0.15 0.44 0.40 0.20 -4.06 0.00 0.00 176.95 174.08 2k4r s GLY 70 N -2.28 -0.26 0.21 3.67 0.00 0.16 -4.90 107.32 103.92 2k4r s GLY 70 Ca 0.22 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 2k4r s GLY 70 CO 0.14 0.47 1.06 -0.19 0.00 0.00 0.00 173.10 174.58 2k4r s TYR 71 N -0.96 3.67 -1.51 1.90 2.02 -0.95 -1.68 117.35 119.84 2k4r s TYR 71 Ca -0.10 1.69 -0.10 0.00 -0.37 0.00 0.00 57.07 58.19 2k4r s TYR 71 Cb -0.04 -3.21 -0.07 0.00 -0.40 0.00 0.00 41.96 38.24 2k4r s TYR 71 CO 0.04 -0.36 2.73 0.00 -1.57 0.00 0.00 175.55 176.39 2k4r n ASP 73 N 4.15 0.00 0.00 0.00 2.03 -1.26 -2.77 116.55 118.71 2k4r n ASP 73 Ca 0.70 0.00 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2k4r n ASP 73 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.57 3.04 2.65 0.00 0.00 -1.26 -4.79 105.19 104.27 2k4r n GLY 75 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2k4r n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4r n GLN 76 N -0.33 2.30 0.00 1.61 -0.06 -1.26 -5.13 117.38 114.51 2k4r n GLN 76 Ca 0.12 -4.60 0.00 0.00 -2.00 0.00 0.00 57.00 50.52 2k4r n GLN 76 Cb 0.91 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27