#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r s GLY 3 N 0.95 -1.05 -0.63 0.00 0.00 -1.26 -4.76 107.32 100.57 2k4r s GLY 3 Ca -0.10 1.62 -0.06 0.00 0.00 0.00 0.00 44.72 46.19 2k4r s GLY 3 CO -0.02 3.62 0.66 0.00 0.00 0.00 0.00 173.10 177.37 2k4r n ALA 4 N 5.40 -2.68 0.00 3.20 0.00 -1.26 -4.78 120.51 120.39 2k4r n ALA 4 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2k4r n ALA 4 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.25 0.37 3.22 0.00 0.00 -1.09 -4.82 105.19 101.62 2k4r n GLY 5 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2k4r n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4r s GLU 6 N 0.00 2.44 0.69 1.61 0.41 -1.26 -5.02 118.70 117.57 2k4r s GLU 6 Ca 0.00 -1.52 0.02 0.00 -0.41 0.00 0.00 54.97 53.06 2k4r s GLU 6 Cb 0.00 -3.66 0.13 0.00 -1.78 0.00 0.00 34.13 28.81 2k4r s GLU 6 CO 0.00 -0.94 0.95 -1.25 -0.49 0.00 0.00 175.26 173.53 2k4r s PRO 7 N 1.34 1.78 -0.11 0.39 0.04 -1.22 -4.39 135.00 132.82 2k4r s PRO 7 Ca 0.03 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.75 2k4r s PRO 7 Cb -0.23 -2.42 -0.25 0.00 0.04 0.00 0.00 34.50 31.65 2k4r s PRO 7 CO 0.00 -1.34 0.38 1.87 0.04 0.00 0.00 177.00 177.95 2k4r n TRP 8 N -2.70 1.03 0.00 0.56 -0.00 -1.26 -5.02 117.44 110.05 2k4r n TRP 8 Ca 0.16 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.92 2k4r n TRP 8 Cb 0.61 -1.15 0.00 0.00 -0.00 0.00 0.00 31.31 30.77 2k4r n TRP 8 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2k4r n GLY 9 N 1.89 2.09 2.03 5.87 0.00 -1.26 -4.75 105.19 111.05 2k4r n GLY 9 Ca -0.29 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 5.54 -3.69 1.61 4.13 -1.26 -1.97 115.26 119.61 2k4r n ASN 10 Ca 0.00 -3.77 -0.11 0.00 1.68 0.00 0.00 54.58 52.38 2k4r n ASN 10 Cb 0.00 -0.56 -0.12 0.00 -1.54 0.00 0.00 39.78 37.56 2k4r n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k4r s ALA 11 N -3.64 -0.81 -0.15 5.41 0.00 -1.26 -0.24 121.76 121.07 2k4r s ALA 11 Ca 0.55 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 2k4r s ALA 11 Cb 0.44 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2k4r s ALA 11 CO 0.02 -0.42 1.83 0.95 0.00 0.00 0.00 175.76 178.14 2k4r s THR 12 N 1.82 3.39 0.00 0.00 -4.23 0.19 -4.11 115.64 112.69 2k4r s THR 12 Ca -0.06 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2k4r s THR 12 Cb -0.10 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2k4r s THR 12 CO -0.11 -0.15 0.00 0.59 -0.54 0.00 0.00 174.62 174.41 2k4r n ASN 13 N 8.87 0.00 0.18 3.99 4.13 0.77 -1.78 115.26 131.42 2k4r n ASN 13 Ca 0.21 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.51 2k4r n ASN 13 Cb 0.44 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 39.00 2k4r n ASN 13 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2k4r h LEU 14 N 0.00 0.00 0.00 3.41 5.85 -1.74 -3.39 115.31 119.44 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 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k4r h LEU 14 CO 0.00 0.43 0.00 0.61 -0.34 0.00 0.00 178.44 179.14 2k4r n GLY 15 N 0.03 -0.61 2.81 3.75 0.00 -0.73 -5.04 105.19 105.40 2k4r n GLY 15 Ca -0.01 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 0.63 0.14 1.61 1.01 -1.13 -4.83 120.40 117.83 2k4r s VAL 16 Ca 0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 61.98 61.49 2k4r s VAL 16 Cb 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 2k4r s VAL 16 CO 0.00 0.21 1.43 -2.65 0.00 0.00 0.00 175.10 174.09 2k4r n PRO 17 N 5.06 1.63 -2.51 2.72 -0.02 -1.25 0.54 135.00 141.17 2k4r n PRO 17 Ca -0.09 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2k4r n PRO 17 Cb 0.49 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.15 3.19 0.13 0.00 2.96 0.20 -4.83 118.68 120.17 2k4r s LEU 19 Ca 0.51 0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 54.86 2k4r s LEU 19 Cb -0.29 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.77 2k4r s LEU 19 CO 0.34 -1.11 1.07 -1.00 -1.32 0.00 0.00 176.35 174.33 2k4r s HIS 20 N -3.04 3.63 0.38 5.38 3.76 -1.26 -4.51 115.29 119.64 2k4r s HIS 20 Ca 0.54 1.61 0.08 0.00 -0.15 0.00 0.00 55.06 57.14 2k4r s HIS 20 Cb -0.11 -3.23 0.76 0.00 1.11 0.00 0.00 32.58 31.11 2k4r s HIS 20 CO 0.46 -0.46 1.93 -1.49 -0.85 0.00 0.00 174.74 174.33 2k4r h TRP 21 N 5.62 0.37 -0.00 1.40 4.06 -1.37 0.21 115.95 126.25 2k4r h TRP 21 Ca -0.43 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2k4r h TRP 21 Cb 1.21 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 2k4r h TRP 21 CO 0.64 0.40 -0.27 -3.47 -3.56 0.00 0.00 178.44 172.18 2k4r n ASP 22 N -4.32 0.29 -1.42 -3.49 2.03 -0.26 -3.48 116.55 105.91 2k4r n ASP 22 Ca 0.00 0.04 0.09 0.00 0.52 0.00 0.00 54.79 55.45 2k4r n ASP 22 Cb 0.22 -0.08 0.33 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.47 3.57 -2.42 -0.67 -0.58 0.04 -4.91 120.64 114.20 2k4r n GLU 23 Ca 0.07 -2.80 -0.43 0.00 -0.42 0.00 0.00 57.16 53.57 2k4r n GLU 23 Cb 0.33 -1.82 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 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 -1.85 4.08 0.53 2.62 1.01 -1.06 -4.84 120.40 120.89 2k4r s VAL 24 Ca 0.48 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 63.42 2k4r s VAL 24 Cb 0.31 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2k4r s VAL 24 CO 0.22 -0.60 1.35 -2.16 0.00 0.00 0.00 175.10 173.91 2k4r s PRO 25 N 4.41 3.25 0.63 2.72 0.04 -1.26 -4.89 135.00 139.90 2k4r s PRO 25 Ca 0.57 2.22 0.36 0.00 0.04 0.00 0.00 61.00 64.19 2k4r s PRO 25 Cb -0.15 -2.31 2.06 0.00 0.04 0.00 0.00 34.50 34.14 2k4r s PRO 25 CO 0.26 -1.10 2.26 -1.00 0.04 0.00 0.00 177.00 177.46 2k4r h PRO 26 N 1.60 0.00 -3.89 0.56 0.13 -2.00 -3.30 132.00 125.10 2k4r h PRO 26 Ca -0.51 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.84 2k4r h PRO 26 Cb 1.29 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.17 2k4r h PRO 26 CO 0.58 0.00 0.03 -0.06 -0.23 0.00 0.00 178.00 178.32 2k4r s PHE 27 N -4.37 3.66 -0.14 1.56 0.08 -1.26 -5.03 117.98 112.48 2k4r s PHE 27 Ca -0.05 -1.85 -0.13 0.00 0.12 0.00 0.00 56.93 55.03 2k4r s PHE 27 Cb 0.14 -3.82 -0.05 0.00 -0.57 0.00 0.00 43.02 38.72 2k4r s PHE 27 CO 0.46 -1.00 0.27 -1.17 -0.10 0.00 0.00 175.22 173.69 2k4r s LEU 28 N 0.47 4.29 0.02 -0.37 2.96 -1.25 -4.98 118.68 119.82 2k4r s LEU 28 Ca 0.15 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.43 2k4r s LEU 28 Cb -0.14 -2.34 -0.31 0.00 0.50 0.00 0.00 46.19 43.90 2k4r s LEU 28 CO -0.06 0.17 1.03 -0.33 -1.32 0.00 0.00 176.35 175.84 2k4r h GLU 29 N 6.21 0.53 -7.34 1.98 5.08 -1.94 -3.46 114.58 115.64 2k4r h GLU 29 Ca -0.44 -0.78 -0.46 0.00 -1.00 0.00 0.00 59.36 56.68 2k4r h GLU 29 Cb 1.18 0.27 0.11 0.00 0.50 0.00 0.00 28.75 30.81 2k4r h GLU 29 CO 0.72 1.36 0.21 1.03 -1.00 0.00 0.00 179.01 181.32 2k4r s ARG 30 N -2.78 1.43 -0.18 2.33 1.81 -1.26 -5.08 118.95 115.22 2k4r s ARG 30 Ca -0.10 -0.82 -0.00 0.00 -1.72 0.00 0.00 55.73 53.09 2k4r s ARG 30 Cb 0.04 -2.17 0.05 0.00 -0.45 0.00 0.00 34.95 32.41 2k4r s ARG 30 CO 0.91 -1.71 -0.06 0.45 -0.68 0.00 0.00 175.30 174.22 2k4r s SER 31 N -4.76 3.11 0.52 0.23 0.15 -1.26 -4.98 113.70 106.71 2k4r s SER 31 Ca 0.68 -0.80 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 2k4r s SER 31 Cb -0.05 -1.00 -0.06 0.00 -1.71 0.00 0.00 66.02 63.20 2k4r s SER 31 CO 0.47 -0.19 1.18 -2.16 1.20 0.00 0.00 173.24 173.74 2k4r s PRO 32 N 1.56 3.40 0.56 5.44 0.04 -1.26 -4.92 135.00 139.82 2k4r s PRO 32 Ca -0.01 1.78 0.33 0.00 0.04 0.00 0.00 61.00 63.14 2k4r s PRO 32 Cb -0.16 -2.16 1.63 0.00 0.04 0.00 0.00 34.50 33.85 2k4r s PRO 32 CO -0.08 -0.85 2.10 -1.35 0.04 0.00 0.00 177.00 176.86 2k4r h PRO 33 N 1.46 0.00 0.00 0.56 0.11 -2.02 -3.45 132.00 128.66 2k4r h PRO 33 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2k4r h PRO 33 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.38 2k4r h PRO 33 CO 0.58 0.06 0.25 0.00 -0.21 0.00 0.00 178.00 178.68 2k4r n ALA 34 N -2.17 -1.54 -1.62 -0.75 0.00 -1.26 -5.15 120.51 108.02 2k4r n ALA 34 Ca -0.01 -1.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.07 2k4r n ALA 34 Cb 0.23 0.80 0.02 0.00 0.00 0.00 0.00 19.45 20.51 2k4r n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k4r s SER 35 N -2.73 5.48 -0.04 0.00 0.15 -1.26 -4.97 113.70 110.33 2k4r s SER 35 Ca 0.14 1.96 0.06 0.00 0.70 0.00 0.00 55.95 58.81 2k4r s SER 35 Cb -0.04 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2k4r s SER 35 CO 0.09 -1.38 0.99 -2.67 1.20 0.00 0.00 173.24 171.47 2k4r n TRP 36 N -2.05 0.00 0.22 3.44 4.27 -1.26 -4.79 117.44 117.27 2k4r n TRP 36 Ca 0.10 -0.34 0.05 0.00 -3.89 0.00 0.00 57.50 53.43 2k4r n TRP 36 Cb 0.52 -0.07 0.51 0.00 -1.36 0.00 0.00 31.31 30.90 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 1.71 -0.02 -1.67 0.00 -2.02 -1.67 119.26 115.59 2k4r h ALA 37 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k4r h ALA 37 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k4r h ALA 37 CO 0.00 0.22 -0.03 -0.85 0.00 0.00 0.00 179.25 178.59 2k4r n GLU 38 N -4.33 1.63 0.04 0.00 0.00 -1.26 -3.31 120.64 113.41 2k4r n GLU 38 Ca -0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 57.16 56.14 2k4r n GLU 38 Cb 0.24 -1.48 0.28 0.00 0.00 0.00 0.00 31.44 30.48 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 2.41 0.40 2.25 -1.84 3.38 -1.64 -3.46 115.31 116.81 2k4r h LEU 39 Ca 0.00 -0.11 -0.35 0.00 0.09 0.00 0.00 57.88 57.52 2k4r h LEU 39 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k4r h LEU 39 CO 0.00 0.59 -0.47 0.54 0.09 0.00 0.00 178.44 179.19 2k4r n ARG 40 N -4.20 -2.61 -0.88 1.13 1.74 -1.21 -4.81 116.66 105.82 2k4r n ARG 40 Ca 0.00 0.79 0.03 0.00 -0.77 0.00 0.00 57.85 57.89 2k4r n ARG 40 Cb 0.33 -5.47 0.35 0.00 -1.02 0.00 0.00 32.46 26.66 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 -1.04 3.08 0.42 -0.13 0.00 -1.26 -4.76 105.19 101.50 2k4r n GLY 41 Ca -0.16 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 3.38 -0.27 -0.02 1.61 1.08 -1.88 -0.34 115.11 118.67 2k4r h GLN 42 Ca 0.08 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2k4r h GLN 42 Cb 2.00 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.49 2k4r h GLN 42 CO 0.54 -0.18 0.09 -1.00 -0.95 0.00 0.00 178.83 177.32 2k4r h PRO 43 N -0.28 0.00 0.00 1.46 0.13 -1.95 -0.67 132.00 130.69 2k4r h PRO 43 Ca 0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 2k4r h PRO 43 Cb 0.56 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 2k4r h PRO 43 CO -0.67 0.00 -0.14 -2.39 -0.23 0.00 0.00 178.00 174.56 2k4r n HIS 44 N -3.24 0.12 -4.64 1.56 1.44 -0.14 -4.94 115.22 105.38 2k4r n HIS 44 Ca -0.02 -0.79 -0.24 0.00 -2.01 0.00 0.00 57.72 54.66 2k4r n HIS 44 Cb 0.16 -0.02 -0.16 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 -1.79 1.76 0.00 4.39 4.22 -1.26 -1.76 114.94 120.50 2k4r s ASN 45 Ca 0.05 -0.28 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 2k4r s ASN 45 Cb 0.00 -0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.01 2k4r s ASN 45 CO 0.03 0.10 0.00 0.33 -2.04 0.00 0.00 177.10 175.53 2k4r n PHE 46 N 3.29 0.00 -1.61 1.54 7.35 -1.26 -4.90 117.46 121.87 2k4r n PHE 46 Ca -0.19 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.04 2k4r n PHE 46 Cb 0.53 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.34 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 -0.99 0.93 -0.46 0.00 1.81 -0.05 -4.84 118.95 115.35 2k4r s ARG 48 Ca 0.65 -1.14 0.02 0.00 -1.72 0.00 0.00 55.73 53.54 2k4r s ARG 48 Cb -0.73 -0.83 0.14 0.00 -0.45 0.00 0.00 34.95 33.08 2k4r s ARG 48 CO 0.56 0.16 0.25 0.45 -0.68 0.00 0.00 175.30 176.04 2k4r s SER 49 N -2.22 3.70 0.32 0.23 0.15 -1.26 0.35 113.70 114.98 2k4r s SER 49 Ca 0.05 -2.71 0.17 0.00 0.70 0.00 0.00 55.95 54.16 2k4r s SER 49 Cb -0.06 -1.10 0.32 0.00 -1.71 0.00 0.00 66.02 63.47 2k4r s SER 49 CO 0.02 -0.26 1.56 -0.65 1.20 0.00 0.00 173.24 175.12 2k4r h PRO 50 N 6.64 0.00 -5.85 5.44 0.11 -1.93 -3.42 132.00 132.99 2k4r h PRO 50 Ca -0.01 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.51 2k4r h PRO 50 Cb 0.92 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.91 2k4r h PRO 50 CO 0.51 0.43 0.79 -0.51 -0.21 0.00 0.00 178.00 179.01 2k4r s ASP 51 N -6.41 6.18 0.00 -2.05 1.11 -1.26 -4.88 116.67 109.36 2k4r s ASP 51 Ca 0.03 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 51.97 2k4r s ASP 51 Cb 0.09 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2k4r s ASP 51 CO 0.72 -1.61 0.47 0.61 1.18 0.00 0.00 175.17 176.54 2k4r n GLY 52 N 5.38 -0.37 0.80 0.21 0.00 -1.26 -2.47 105.19 107.49 2k4r n GLY 52 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.42 2.82 -2.12 4.61 0.00 -1.26 -4.82 120.51 119.32 2k4r n ALA 53 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 2k4r n ALA 53 Cb 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.34 0.44 2.88 0.00 0.00 -1.15 -4.96 105.19 102.74 2k4r n GLY 54 Ca 0.08 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.25 1.26 0.50 1.61 6.06 -1.03 -2.69 118.95 120.42 2k4r s ARG 55 Ca 0.01 -1.73 -0.18 0.00 -2.50 0.00 0.00 55.73 51.33 2k4r s ARG 55 Cb -0.00 -2.71 -0.08 0.00 0.06 0.00 0.00 34.95 32.21 2k4r s ARG 55 CO 0.01 -1.01 0.99 -2.14 -2.50 0.00 0.00 175.30 170.65 2k4r s PRO 56 N 0.92 3.92 0.16 5.12 0.02 -1.26 -4.04 135.00 139.83 2k4r s PRO 56 Ca 0.12 1.10 -0.19 0.00 0.02 0.00 0.00 61.00 62.05 2k4r s PRO 56 Cb -0.20 -2.13 0.04 0.00 0.02 0.00 0.00 34.50 32.24 2k4r s PRO 56 CO -0.11 -0.30 0.50 1.67 -0.33 0.00 0.00 177.00 178.43 2k4r s TRP 57 N -2.38 -0.30 0.31 6.54 1.48 0.16 0.57 118.94 125.32 2k4r s TRP 57 Ca 0.62 0.00 0.05 0.00 -1.06 0.00 0.00 56.10 55.71 2k4r s TRP 57 Cb -0.11 0.40 -0.03 0.00 -1.16 0.00 0.00 33.47 32.56 2k4r s TRP 57 CO 0.25 -0.81 0.22 0.00 -4.06 0.00 0.00 176.95 172.54 2k4r s PHE 59 N -3.57 3.48 -0.01 0.00 0.08 -1.26 -0.42 117.98 116.28 2k4r s PHE 59 Ca 0.38 0.86 0.02 0.00 0.12 0.00 0.00 56.93 58.30 2k4r s PHE 59 Cb 0.04 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 2k4r s PHE 59 CO 0.22 0.10 -0.03 1.52 -0.10 0.00 0.00 175.22 176.93 2k4r s TYR 60 N 0.88 3.00 -0.23 0.36 1.13 0.19 0.61 117.35 123.28 2k4r s TYR 60 Ca 0.25 0.04 -0.11 0.00 -1.41 0.00 0.00 57.07 55.85 2k4r s TYR 60 Cb -0.15 -1.66 -0.05 0.00 -1.10 0.00 0.00 41.96 39.00 2k4r s TYR 60 CO 0.10 0.42 0.19 0.50 -2.51 0.00 0.00 175.55 174.25 2k4r s ARG 61 N -1.37 4.09 0.15 -3.49 3.52 -0.86 -2.01 118.95 118.98 2k4r s ARG 61 Ca 0.17 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.37 2k4r s ARG 61 Cb -0.11 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 2k4r s ARG 61 CO 0.08 0.07 0.64 -0.80 -0.81 0.00 0.00 175.30 174.47 2k4r s ASN 62 N 1.01 7.05 0.00 -2.12 -0.87 0.17 -4.64 114.94 115.53 2k4r s ASN 62 Ca 0.09 1.32 0.00 0.00 -1.57 0.00 0.00 52.86 52.70 2k4r s ASN 62 Cb -0.13 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 2k4r s ASN 62 CO 0.04 0.15 0.93 0.00 -2.57 0.00 0.00 177.10 175.65 2k4r n ALA 63 N 1.18 2.50 -0.94 0.60 0.00 -1.26 -1.99 120.51 120.59 2k4r n ALA 63 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k4r n ALA 63 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.80 -0.03 0.00 0.00 6.02 -1.26 -5.02 117.38 117.89 2k4r n GLN 64 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2k4r n GLN 64 Cb 0.39 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.00 0.86 3.93 1.08 0.00 -0.84 -5.10 105.19 105.11 2k4r n GLY 65 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 1.61 1.02 -1.25 -4.94 119.74 118.90 2k4r s LYS 66 Ca 0.00 -0.22 -0.05 0.00 0.02 0.00 0.00 55.97 55.72 2k4r s LYS 66 Cb 0.00 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 2k4r s LYS 66 CO 0.00 0.22 0.09 0.08 -0.92 0.00 0.00 175.35 174.82 2k4r s VAL 67 N -2.15 -0.10 0.39 3.17 1.01 -1.26 -0.66 120.40 120.81 2k4r s VAL 67 Ca 0.41 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2k4r s VAL 67 Cb -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2k4r s VAL 67 CO 0.33 -0.27 0.20 -1.81 0.00 0.00 0.00 175.10 173.54 2k4r s ASP 68 N 2.15 2.49 0.12 3.32 1.01 -0.85 -3.46 116.67 121.44 2k4r s ASP 68 Ca 0.02 -1.75 0.07 0.00 0.71 0.00 0.00 52.55 51.60 2k4r s ASP 68 Cb -0.16 0.59 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 2k4r s ASP 68 CO -0.09 -1.02 -0.07 -1.66 0.21 0.00 0.00 175.17 172.54 2k4r s TRP 69 N -3.26 2.79 -0.05 4.23 1.48 -1.26 0.54 118.94 123.41 2k4r s TRP 69 Ca 0.29 -0.14 -0.14 0.00 -1.06 0.00 0.00 56.10 55.05 2k4r s TRP 69 Cb 0.02 -1.43 0.03 0.00 -1.16 0.00 0.00 33.47 30.92 2k4r s TRP 69 CO 0.20 0.46 0.32 0.20 -4.06 0.00 0.00 176.95 174.07 2k4r s GLY 70 N -2.38 -0.19 0.80 3.67 0.00 0.44 -4.86 107.32 104.79 2k4r s GLY 70 Ca 0.23 0.52 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 2k4r s GLY 70 CO 0.15 0.32 1.14 -0.19 0.00 0.00 0.00 173.10 174.52 2k4r s TYR 71 N -0.92 2.15 -0.80 1.90 2.02 0.16 -1.78 117.35 120.09 2k4r s TYR 71 Ca -0.10 1.65 0.02 0.00 -0.37 0.00 0.00 57.07 58.27 2k4r s TYR 71 Cb -0.04 -3.25 0.30 0.00 -0.40 0.00 0.00 41.96 38.57 2k4r s TYR 71 CO 0.03 -2.29 1.19 0.00 -1.57 0.00 0.00 175.55 172.92 2k4r n ASP 73 N 0.42 0.00 0.00 0.00 2.03 -1.26 -3.44 116.55 114.29 2k4r n ASP 73 Ca 0.33 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2k4r n ASP 73 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 1.57 3.13 0.51 0.00 0.00 -1.26 -4.24 105.19 104.90 2k4r n GLY 75 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2k4r n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4r n GLN 76 N 0.21 0.00 0.00 1.61 1.13 -1.26 -5.15 117.38 113.92 2k4r n GLN 76 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2k4r n GLN 76 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.04 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03