#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 3.30 -0.65 3.84 0.00 0.00 -1.26 -5.11 105.19 105.31 2k4r n GLY 3 Ca 0.11 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.00 3.28 -0.32 4.61 0.00 -1.26 -4.97 121.76 122.10 2k4r s ALA 4 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 2k4r s ALA 4 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2k4r s ALA 4 CO 0.00 0.30 2.07 0.20 0.00 0.00 0.00 175.76 178.33 2k4r s GLY 5 N -2.24 0.47 -0.38 0.00 0.00 -1.26 -4.86 107.32 99.05 2k4r s GLY 5 Ca 0.55 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2k4r s GLY 5 CO 0.17 3.63 0.19 1.85 0.00 0.00 0.00 173.10 178.94 2k4r s GLU 6 N 6.39 0.93 0.27 2.90 2.12 -1.26 -5.08 118.70 124.97 2k4r s GLU 6 Ca 0.91 -1.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2k4r s GLU 6 Cb -0.26 -1.97 -0.11 0.00 0.26 0.00 0.00 34.13 32.05 2k4r s GLU 6 CO 0.33 -1.12 1.55 -1.25 -0.54 0.00 0.00 175.26 174.23 2k4r s PRO 7 N 0.92 4.17 0.39 4.30 0.04 -1.11 -4.59 135.00 139.12 2k4r s PRO 7 Ca 0.15 2.49 0.23 0.00 0.04 0.00 0.00 61.00 63.91 2k4r s PRO 7 Cb -0.22 -3.06 0.29 0.00 0.04 0.00 0.00 34.50 31.55 2k4r s PRO 7 CO -0.08 -0.57 1.50 2.35 0.04 0.00 0.00 177.00 180.24 2k4r h TRP 8 N 5.05 0.00 0.00 0.56 7.01 -1.70 -3.49 115.95 123.38 2k4r h TRP 8 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 2k4r h TRP 8 Cb 1.22 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 2k4r h TRP 8 CO 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 2k4r n GLY 9 N 1.12 2.33 1.15 2.65 0.00 -1.26 -4.62 105.19 106.56 2k4r n GLY 9 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 0.70 2.79 -3.54 1.61 5.03 -1.26 -1.87 115.26 118.72 2k4r n ASN 10 Ca 0.00 -3.83 -0.15 0.00 0.87 0.00 0.00 54.58 51.46 2k4r n ASN 10 Cb 0.00 -0.56 -0.05 0.00 -1.02 0.00 0.00 39.78 38.15 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 -3.33 -1.50 0.18 5.41 0.00 -1.26 0.63 121.76 121.88 2k4r s ALA 11 Ca 0.44 0.84 -0.32 0.00 0.00 0.00 0.00 51.96 52.93 2k4r s ALA 11 Cb 0.40 0.29 -0.11 0.00 0.00 0.00 0.00 23.12 23.70 2k4r s ALA 11 CO -0.02 -0.48 1.62 0.95 0.00 0.00 0.00 175.76 177.83 2k4r s THR 12 N -2.08 2.41 -0.80 0.00 -4.23 -0.54 -3.36 115.64 107.04 2k4r s THR 12 Ca -0.07 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 2k4r s THR 12 Cb -0.01 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.70 2k4r s THR 12 CO 0.02 0.02 1.16 -0.46 -0.54 0.00 0.00 174.62 174.82 2k4r n ASN 13 N 3.97 0.14 -1.67 3.99 0.23 -0.98 0.03 115.26 120.97 2k4r n ASN 13 Ca 0.15 0.57 0.03 0.00 -0.53 0.00 0.00 54.58 54.79 2k4r n ASN 13 Cb 0.37 -0.58 0.04 0.00 -2.08 0.00 0.00 39.78 37.53 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 -1.69 1.27 0.00 -4.53 7.94 -1.24 -4.86 117.00 113.90 2k4r n LEU 14 Ca -0.00 -2.34 0.00 0.00 -1.11 0.00 0.00 56.01 52.55 2k4r n LEU 14 Cb 0.01 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2k4r n LEU 14 CO 0.02 0.68 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 2k4r n GLY 15 N 0.19 1.30 3.00 -3.96 0.00 0.10 -4.93 105.19 100.88 2k4r n GLY 15 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 0.70 0.65 0.47 1.61 1.01 -1.24 -4.87 120.40 118.72 2k4r s VAL 16 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2k4r s VAL 16 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 2k4r s VAL 16 CO 0.00 0.19 1.20 -2.16 0.00 0.00 0.00 175.10 174.33 2k4r s PRO 17 N -0.08 3.69 0.24 2.72 0.04 -1.26 -1.47 135.00 138.88 2k4r s PRO 17 Ca 0.02 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2k4r s PRO 17 Cb -0.04 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 2k4r s PRO 17 CO -0.00 -0.63 1.16 0.00 0.04 0.00 0.00 177.00 177.57 2k4r n LEU 19 N 1.82 0.30 -3.64 0.00 7.94 -0.05 -4.79 117.00 118.58 2k4r n LEU 19 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 2k4r n LEU 19 Cb 0.45 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.33 2k4r n LEU 19 CO 0.55 0.00 0.49 -1.00 -1.11 0.00 0.00 177.39 176.32 2k4r s HIS 20 N 0.00 -0.79 0.24 1.96 3.76 -1.26 -4.49 115.29 114.71 2k4r s HIS 20 Ca 0.00 1.77 -0.04 0.00 -0.15 0.00 0.00 55.06 56.64 2k4r s HIS 20 Cb 0.00 0.40 0.27 0.00 1.11 0.00 0.00 32.58 34.36 2k4r s HIS 20 CO 0.00 -0.38 1.74 -1.49 -0.85 0.00 0.00 174.74 173.75 2k4r h TRP 21 N 5.50 0.93 -0.01 1.40 4.06 -1.40 -1.72 115.95 124.72 2k4r h TRP 21 Ca -0.29 -0.13 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2k4r h TRP 21 Cb 1.19 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 2k4r h TRP 21 CO 0.26 0.84 -0.09 -3.47 -3.56 0.00 0.00 178.44 172.42 2k4r n ASP 22 N -4.21 0.70 -1.61 -3.49 2.03 -0.48 -3.59 116.55 105.89 2k4r n ASP 22 Ca 0.03 -0.88 0.08 0.00 0.52 0.00 0.00 54.79 54.54 2k4r n ASP 22 Cb 0.30 -0.02 0.36 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.68 4.28 -3.00 -0.67 -0.58 -0.65 -4.91 120.64 114.44 2k4r n GLU 23 Ca 0.17 -3.04 -0.41 0.00 -0.42 0.00 0.00 57.16 53.45 2k4r n GLU 23 Cb 0.28 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 28.99 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 -2.62 4.88 0.33 2.62 1.01 -1.22 -4.86 120.40 120.53 2k4r s VAL 24 Ca 0.51 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 2k4r s VAL 24 Cb 0.38 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 2k4r s VAL 24 CO 0.16 -0.11 1.45 -2.16 0.00 0.00 0.00 175.10 174.44 2k4r s PRO 25 N 2.75 4.20 0.54 2.72 0.04 -1.26 -4.90 135.00 139.09 2k4r s PRO 25 Ca 0.30 2.43 0.23 0.00 0.04 0.00 0.00 61.00 64.00 2k4r s PRO 25 Cb -0.15 -3.03 1.41 0.00 0.04 0.00 0.00 34.50 32.78 2k4r s PRO 25 CO 0.10 -0.44 2.08 -1.00 0.04 0.00 0.00 177.00 177.78 2k4r h PRO 26 N 3.74 0.00 -3.83 0.56 0.13 -2.00 -3.17 132.00 127.43 2k4r h PRO 26 Ca -0.49 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.88 2k4r h PRO 26 Cb 1.23 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 2k4r h PRO 26 CO 0.69 0.00 -0.05 -0.06 -0.23 0.00 0.00 178.00 178.36 2k4r s PHE 27 N -4.95 3.63 0.13 1.56 0.08 -1.26 -5.06 117.98 112.11 2k4r s PHE 27 Ca -0.05 -2.06 -0.02 0.00 0.12 0.00 0.00 56.93 54.92 2k4r s PHE 27 Cb 0.18 -3.68 -0.05 0.00 -0.57 0.00 0.00 43.02 38.90 2k4r s PHE 27 CO 0.67 -0.96 0.32 -1.17 -0.10 0.00 0.00 175.22 173.97 2k4r s LEU 28 N 0.31 4.29 0.02 -0.37 2.96 -1.20 -5.03 118.68 119.67 2k4r s LEU 28 Ca 0.16 0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 54.22 2k4r s LEU 28 Cb -0.15 -3.14 -0.17 0.00 0.50 0.00 0.00 46.19 43.23 2k4r s LEU 28 CO -0.06 0.07 1.34 -0.33 -1.32 0.00 0.00 176.35 176.05 2k4r h GLU 29 N 2.68 -0.42 -5.79 1.98 5.08 -1.92 -3.43 114.58 112.76 2k4r h GLU 29 Ca -0.46 0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.27 2k4r h GLU 29 Cb 1.17 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 2k4r h GLU 29 CO 0.72 -0.13 -0.51 1.03 -1.00 0.00 0.00 179.01 179.12 2k4r s ARG 30 N -5.01 3.34 -0.17 2.33 1.81 -1.26 -5.08 118.95 114.91 2k4r s ARG 30 Ca -0.15 -0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 53.35 2k4r s ARG 30 Cb 0.03 -3.07 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 2k4r s ARG 30 CO 0.57 0.71 0.71 0.45 -0.68 0.00 0.00 175.30 177.06 2k4r s SER 31 N -1.48 6.82 0.54 0.23 0.15 -1.26 -4.84 113.70 113.87 2k4r s SER 31 Ca 0.21 1.00 -0.18 0.00 0.70 0.00 0.00 55.95 57.68 2k4r s SER 31 Cb -0.12 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 2k4r s SER 31 CO 0.11 -0.29 1.04 -2.16 1.20 0.00 0.00 173.24 173.14 2k4r s PRO 32 N 1.82 3.58 0.53 5.44 0.04 -1.26 -4.96 135.00 140.19 2k4r s PRO 32 Ca 0.33 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.81 2k4r s PRO 32 Cb -0.16 -2.07 1.33 0.00 0.04 0.00 0.00 34.50 33.64 2k4r s PRO 32 CO 0.12 -0.60 2.08 -1.35 0.04 0.00 0.00 177.00 177.29 2k4r h PRO 33 N 0.93 0.00 -2.85 0.56 0.11 -2.02 -3.45 132.00 125.28 2k4r h PRO 33 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2k4r h PRO 33 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2k4r h PRO 33 CO 0.58 0.00 0.33 0.00 -0.21 0.00 0.00 178.00 178.71 2k4r s ALA 34 N -5.04 -1.13 0.16 -0.75 0.00 -1.26 -5.13 121.76 108.61 2k4r s ALA 34 Ca -0.05 -0.44 -0.32 0.00 0.00 0.00 0.00 51.96 51.15 2k4r s ALA 34 Cb 0.18 0.74 -0.12 0.00 0.00 0.00 0.00 23.12 23.92 2k4r s ALA 34 CO 0.69 -1.02 1.77 0.45 0.00 0.00 0.00 175.76 177.65 2k4r n SER 35 N -0.97 3.95 -0.65 0.00 2.88 -1.26 -4.89 113.62 112.68 2k4r n SER 35 Ca -0.06 1.03 0.06 0.00 -1.33 0.00 0.00 58.87 58.57 2k4r n SER 35 Cb 0.60 -1.55 0.15 0.00 -0.75 0.00 0.00 64.21 62.66 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 4.73 0.43 0.20 0.66 4.27 -1.26 -4.56 117.44 121.91 2k4r n TRP 36 Ca 0.17 -0.43 0.07 0.00 -3.89 0.00 0.00 57.50 53.41 2k4r n TRP 36 Cb 0.35 -0.02 0.32 0.00 -1.36 0.00 0.00 31.31 30.60 2k4r n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k4r n ALA 37 N 0.59 1.23 1.09 -1.67 0.00 -1.26 -0.52 120.51 119.97 2k4r n ALA 37 Ca 0.12 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2k4r n ALA 37 Cb 0.42 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.80 2k4r n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4r n GLU 38 N -1.87 1.26 0.27 0.00 2.13 -1.26 -3.94 120.64 117.23 2k4r n GLU 38 Ca 0.00 -0.97 0.13 0.00 0.66 0.00 0.00 57.16 56.98 2k4r n GLU 38 Cb 0.08 -1.48 0.76 0.00 0.27 0.00 0.00 31.44 31.07 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 2.37 0.00 1.00 4.31 3.38 -1.13 -3.46 115.31 121.78 2k4r h LEU 39 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2k4r h LEU 39 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2k4r h LEU 39 CO 0.00 0.10 -0.54 -2.11 0.09 0.00 0.00 178.44 175.98 2k4r n ARG 40 N -3.70 -3.66 -0.71 1.13 1.85 -1.25 -4.79 116.66 105.53 2k4r n ARG 40 Ca -0.02 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 2k4r n ARG 40 Cb 0.21 -5.37 0.24 0.00 -1.05 0.00 0.00 32.46 26.49 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 -1.22 4.30 0.31 2.89 0.00 -1.26 -4.85 105.19 105.35 2k4r n GLY 41 Ca -0.07 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 1.63 -0.35 -0.01 1.61 1.08 -1.89 -0.98 115.11 116.19 2k4r h GLN 42 Ca 0.15 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2k4r h GLN 42 Cb 1.75 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2k4r h GLN 42 CO 0.41 -0.24 0.06 -1.00 -0.95 0.00 0.00 178.83 177.12 2k4r h PRO 43 N -0.37 0.00 0.00 1.46 0.13 -1.95 -1.28 132.00 129.99 2k4r h PRO 43 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2k4r h PRO 43 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2k4r h PRO 43 CO -0.33 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.05 2k4r n HIS 44 N -3.18 0.00 -4.42 1.56 1.44 -0.37 -4.95 115.22 105.30 2k4r n HIS 44 Ca -0.03 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.49 2k4r n HIS 44 Cb 0.13 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.10 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 -0.36 1.23 0.00 4.39 4.22 -1.26 -1.78 114.94 121.38 2k4r s ASN 45 Ca 0.00 -0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.50 2k4r s ASN 45 Cb 0.00 -0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.40 2k4r s ASN 45 CO 0.00 0.11 0.00 0.33 -2.04 0.00 0.00 177.10 175.50 2k4r n PHE 46 N 2.71 0.00 -1.59 1.54 7.35 -1.26 -4.87 117.46 121.34 2k4r n PHE 46 Ca -0.14 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.07 2k4r n PHE 46 Cb 0.56 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.36 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 -0.43 1.07 -0.29 0.00 1.81 0.67 -4.78 118.95 117.00 2k4r s ARG 48 Ca 0.72 -0.68 0.03 0.00 -1.72 0.00 0.00 55.73 54.08 2k4r s ARG 48 Cb -0.82 -1.07 0.20 0.00 -0.45 0.00 0.00 34.95 32.81 2k4r s ARG 48 CO 0.52 0.28 0.60 0.45 -0.68 0.00 0.00 175.30 176.47 2k4r s SER 49 N -0.82 -1.52 -0.10 0.23 0.15 -1.26 -0.75 113.70 109.64 2k4r s SER 49 Ca 0.04 0.47 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 2k4r s SER 49 Cb -0.07 2.08 -0.25 0.00 -1.71 0.00 0.00 66.02 66.07 2k4r s SER 49 CO 0.01 -0.28 0.91 -0.65 1.20 0.00 0.00 173.24 174.43 2k4r h PRO 50 N 7.99 0.05 0.00 5.44 0.11 -2.00 -3.48 132.00 140.12 2k4r h PRO 50 Ca -0.10 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2k4r h PRO 50 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k4r h PRO 50 CO 0.19 0.91 0.00 -3.47 -0.21 0.00 0.00 178.00 175.42 2k4r n ASP 51 N -4.60 0.33 0.00 -2.05 2.03 -1.26 -4.98 116.55 106.02 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 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 2.24 0.00 0.27 0.00 -1.26 -4.20 105.19 102.24 2k4r n GLY 52 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.92 -1.15 4.61 0.00 -1.26 -4.98 120.51 118.65 2k4r n ALA 53 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2k4r n ALA 53 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.71 3.31 0.00 0.00 -1.26 -5.00 105.19 102.96 2k4r n GLY 54 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.95 3.19 0.26 1.61 3.52 -1.26 -5.10 118.95 119.22 2k4r s ARG 55 Ca 0.00 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 2k4r s ARG 55 Cb 0.00 -2.48 -0.09 0.00 -1.56 0.00 0.00 34.95 30.82 2k4r s ARG 55 CO 0.00 0.22 1.12 -2.14 -0.81 0.00 0.00 175.30 173.69 2k4r s PRO 56 N 0.28 4.61 0.08 5.12 0.02 -1.26 -4.71 135.00 139.15 2k4r s PRO 56 Ca -0.13 1.82 0.02 0.00 0.02 0.00 0.00 61.00 62.72 2k4r s PRO 56 Cb -0.16 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 2k4r s PRO 56 CO 0.07 0.15 -0.07 1.67 -0.33 0.00 0.00 177.00 178.50 2k4r s TRP 57 N -0.95 0.82 0.27 6.54 1.48 0.07 -0.32 118.94 126.87 2k4r s TRP 57 Ca 0.46 -0.84 0.01 0.00 -1.06 0.00 0.00 56.10 54.67 2k4r s TRP 57 Cb -0.32 -0.49 -0.03 0.00 -1.16 0.00 0.00 33.47 31.48 2k4r s TRP 57 CO 0.40 -0.15 0.26 0.00 -4.06 0.00 0.00 176.95 173.40 2k4r s PHE 59 N -3.72 3.27 0.03 0.00 0.08 -1.26 -0.61 117.98 115.77 2k4r s PHE 59 Ca 0.37 0.46 0.02 0.00 0.12 0.00 0.00 56.93 57.90 2k4r s PHE 59 Cb 0.04 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2k4r s PHE 59 CO 0.19 -0.20 0.05 1.52 -0.10 0.00 0.00 175.22 176.68 2k4r s TYR 60 N 1.97 3.17 -0.16 0.36 -0.85 0.15 -0.87 117.35 121.12 2k4r s TYR 60 Ca 0.16 0.11 -0.02 0.00 -0.52 0.00 0.00 57.07 56.80 2k4r s TYR 60 Cb -0.16 -1.67 -0.01 0.00 0.38 0.00 0.00 41.96 40.50 2k4r s TYR 60 CO 0.09 0.51 -0.09 0.50 -1.52 0.00 0.00 175.55 175.05 2k4r s ARG 61 N -1.92 3.44 0.39 -3.49 3.52 -0.84 -1.69 118.95 118.36 2k4r s ARG 61 Ca 0.24 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 2k4r s ARG 61 Cb -0.12 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 2k4r s ARG 61 CO 0.16 0.09 0.46 0.54 -0.81 0.00 0.00 175.30 175.74 2k4r s ASN 62 N 0.70 5.49 0.00 -2.12 4.22 -0.63 -4.58 114.94 118.02 2k4r s ASN 62 Ca -0.04 -0.48 0.00 0.00 -2.14 0.00 0.00 52.86 50.19 2k4r s ASN 62 Cb -0.15 -0.77 0.00 0.00 1.28 0.00 0.00 41.25 41.61 2k4r s ASN 62 CO 0.02 -0.62 0.95 0.00 -2.04 0.00 0.00 177.10 175.41 2k4r n ALA 63 N -1.67 2.48 -0.22 3.54 0.00 -1.26 -1.59 120.51 121.80 2k4r n ALA 63 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k4r n ALA 63 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.62 1.62 -0.87 0.00 3.00 -1.26 -4.97 117.38 115.53 2k4r n GLN 64 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 2k4r n GLN 64 Cb 0.44 -0.89 0.00 0.00 0.00 0.00 0.00 30.24 29.79 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 -0.30 0.52 3.89 1.08 0.00 -0.62 -5.05 105.19 104.71 2k4r n GLY 65 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.75 3.17 -0.12 1.61 1.02 -1.21 -4.96 119.74 117.49 2k4r s LYS 66 Ca 0.00 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 2k4r s LYS 66 Cb 0.00 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.64 2k4r s LYS 66 CO 0.00 0.43 0.22 0.08 -0.92 0.00 0.00 175.35 175.16 2k4r s VAL 67 N -2.00 -0.35 0.25 3.17 1.01 -1.26 -1.60 120.40 119.63 2k4r s VAL 67 Ca 0.33 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2k4r s VAL 67 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2k4r s VAL 67 CO 0.27 0.09 0.13 -1.81 0.00 0.00 0.00 175.10 173.78 2k4r s ASP 68 N 2.36 0.97 0.03 3.32 1.01 -0.68 -4.14 116.67 119.54 2k4r s ASP 68 Ca 0.03 -1.45 0.01 0.00 0.71 0.00 0.00 52.55 51.85 2k4r s ASP 68 Cb -0.12 0.30 -0.04 0.00 1.01 0.00 0.00 42.92 44.07 2k4r s ASP 68 CO -0.08 -0.82 0.09 -1.66 0.21 0.00 0.00 175.17 172.91 2k4r s TRP 69 N -3.83 3.26 -0.07 4.23 1.48 -1.26 0.34 118.94 123.09 2k4r s TRP 69 Ca 0.38 0.16 -0.19 0.00 -1.06 0.00 0.00 56.10 55.39 2k4r s TRP 69 Cb 0.07 -1.70 0.04 0.00 -1.16 0.00 0.00 33.47 30.72 2k4r s TRP 69 CO 0.15 0.54 0.44 0.20 -4.06 0.00 0.00 176.95 174.21 2k4r s GLY 70 N -2.00 -0.30 0.30 3.67 0.00 0.22 -4.93 107.32 104.29 2k4r s GLY 70 Ca 0.26 0.82 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 2k4r s GLY 70 CO 0.17 0.59 1.18 -0.19 0.00 0.00 0.00 173.10 174.85 2k4r s TYR 71 N -0.86 3.37 -1.40 1.90 2.02 -1.26 -1.63 117.35 119.49 2k4r s TYR 71 Ca -0.09 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.06 2k4r s TYR 71 Cb -0.03 -3.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.07 2k4r s TYR 71 CO 0.05 -1.07 2.36 0.00 -1.57 0.00 0.00 175.55 175.32 2k4r n ASP 73 N 5.58 -0.16 0.21 0.00 8.00 -1.26 -2.74 116.55 126.19 2k4r n ASP 73 Ca 0.58 -1.40 -0.08 0.00 0.71 0.00 0.00 54.79 54.59 2k4r n ASP 73 Cb 0.34 0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.75 1.65 3.70 0.00 0.00 -1.26 -4.56 105.19 103.96 2k4r n GLY 75 Ca -0.07 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2k4r n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4r s GLN 76 N -0.88 2.50 0.00 1.61 -1.52 -1.26 -5.14 119.66 114.96 2k4r s GLN 76 Ca 0.14 -1.19 0.00 0.00 -1.95 0.00 0.00 55.36 52.36 2k4r s GLN 76 Cb 0.34 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 2k4r s GLN 76 CO -0.09 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.78