#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4v n GLY 2 N 0.00 2.05 2.66 2.61 0.00 -1.26 -3.30 105.19 107.95 2k4v n GLY 2 Ca 0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k4v n HIS 3 N 13.14 2.84 -2.47 1.61 1.44 -1.26 -4.52 115.22 126.00 2k4v n HIS 3 Ca 0.00 -2.63 -0.38 0.00 -2.01 0.00 0.00 57.72 52.70 2k4v n HIS 3 Cb 0.00 -1.16 -0.04 0.00 0.12 0.00 0.00 29.99 28.91 2k4v n HIS 3 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2k4v s MET 4 N -4.29 4.28 0.02 -1.40 0.00 -1.21 -4.68 119.30 112.02 2k4v s MET 4 Ca 0.40 1.67 0.01 0.00 0.00 0.00 0.00 55.69 57.77 2k4v s MET 4 Cb 0.20 -2.77 -0.04 0.00 0.00 0.00 0.00 34.83 32.22 2k4v s MET 4 CO -0.13 -0.07 0.04 0.12 0.00 0.00 0.00 175.02 174.98 2k4v s PHE 5 N -1.45 3.16 0.03 4.11 5.36 -1.26 -1.30 117.98 126.63 2k4v s PHE 5 Ca 0.54 0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 56.56 2k4v s PHE 5 Cb -0.27 -1.67 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2k4v s PHE 5 CO 0.34 0.51 0.09 -1.83 -1.46 0.00 0.00 175.22 172.86 2k4v s GLU 6 N -1.86 0.54 -0.59 10.12 -1.05 -0.45 -5.03 118.70 120.38 2k4v s GLU 6 Ca 0.23 -0.68 -0.26 0.00 -0.15 0.00 0.00 54.97 54.11 2k4v s GLU 6 Cb -0.12 0.21 -0.09 0.00 -0.44 0.00 0.00 34.13 33.70 2k4v s GLU 6 CO 0.15 -0.13 2.38 -1.25 0.95 0.00 0.00 175.26 177.36 2k4v s PRO 7 N -2.27 1.98 0.00 -4.83 0.04 -1.26 -1.95 135.00 126.71 2k4v s PRO 7 Ca -0.08 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2k4v s PRO 7 Cb -0.03 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.86 2k4v s PRO 7 CO -0.03 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.82 2k4v n GLY 8 N 6.24 1.25 3.31 0.56 0.00 -1.26 -5.11 105.19 110.17 2k4v n GLY 8 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 2k4v n GLY 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4v s HIS 9 N -0.64 -0.34 -0.05 1.61 5.65 -0.82 -2.82 115.29 117.88 2k4v s HIS 9 Ca 0.00 0.65 0.04 0.00 0.25 0.00 0.00 55.06 56.00 2k4v s HIS 9 Cb 0.00 0.17 -0.00 0.00 -1.18 0.00 0.00 32.58 31.57 2k4v s HIS 9 CO 0.00 -0.38 -0.16 -1.17 -0.65 0.00 0.00 174.74 172.38 2k4v s LEU 10 N -0.88 1.88 -0.09 8.88 2.96 0.30 -1.34 118.68 130.39 2k4v s LEU 10 Ca -0.09 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 2k4v s LEU 10 Cb -0.04 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 2k4v s LEU 10 CO 0.04 0.13 0.24 -2.28 -1.32 0.00 0.00 176.35 173.16 2k4v s HIS 11 N 0.14 3.62 -0.23 5.38 5.65 -0.42 -1.24 115.29 128.18 2k4v s HIS 11 Ca -0.05 0.67 0.01 0.00 0.25 0.00 0.00 55.06 55.94 2k4v s HIS 11 Cb -0.12 -2.10 0.06 0.00 -1.18 0.00 0.00 32.58 29.24 2k4v s HIS 11 CO 0.02 0.64 -0.07 -0.51 -0.65 0.00 0.00 174.74 174.17 2k4v s LEU 12 N -0.82 2.68 0.27 8.88 1.43 -0.16 -3.92 118.68 127.04 2k4v s LEU 12 Ca 0.18 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2k4v s LEU 12 Cb -0.14 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 2k4v s LEU 12 CO 0.07 -0.22 0.07 0.68 0.23 0.00 0.00 176.35 177.18 2k4v s VAL 13 N 1.35 0.83 -0.11 -1.59 -7.23 -1.26 -0.95 120.40 111.42 2k4v s VAL 13 Ca -0.06 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 2k4v s VAL 13 Cb -0.19 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2k4v s VAL 13 CO -0.06 -0.06 0.06 -0.55 -0.31 0.00 0.00 175.10 174.18 2k4v s SER 14 N -3.36 5.69 0.04 4.85 0.15 -1.25 -4.57 113.70 115.25 2k4v s SER 14 Ca 0.36 0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.94 2k4v s SER 14 Cb 0.08 -1.76 -0.07 0.00 -1.71 0.00 0.00 66.02 62.56 2k4v s SER 14 CO 0.13 0.35 1.45 -0.76 1.20 0.00 0.00 173.24 175.61 2k4v s LEU 15 N -0.70 4.34 0.51 3.45 1.43 -1.26 -4.98 118.68 121.47 2k4v s LEU 15 Ca 0.12 2.24 -0.21 0.00 -1.03 0.00 0.00 54.13 55.24 2k4v s LEU 15 Cb -0.12 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 2k4v s LEU 15 CO 0.02 -0.74 1.21 -2.16 0.23 0.00 0.00 176.35 174.92 2k4v s PRO 16 N 2.12 3.43 0.00 1.29 0.04 -1.26 -4.41 135.00 136.21 2k4v s PRO 16 Ca 0.66 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2k4v s PRO 16 Cb -0.34 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2k4v s PRO 16 CO 0.28 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2k4v n GLY 17 N 0.47 -0.96 0.33 0.56 0.00 -1.26 -4.89 105.19 99.44 2k4v n GLY 17 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2k4v n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4v n LEU 18 N 0.00 0.00 -1.11 0.99 7.94 -1.26 -4.85 117.00 118.71 2k4v n LEU 18 Ca 0.00 -0.66 0.02 0.00 -1.11 0.00 0.00 56.01 54.26 2k4v n LEU 18 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 2k4v n LEU 18 CO 0.00 0.18 0.24 0.47 -1.11 0.00 0.00 177.39 177.17 2k4v n ASP 19 N 0.00 1.84 -2.07 1.96 9.92 -1.26 -4.95 116.55 121.99 2k4v n ASP 19 Ca 0.00 -3.27 -0.17 0.00 -0.53 0.00 0.00 54.79 50.81 2k4v n ASP 19 Cb 0.63 -0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 40.62 2k4v n ASP 19 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2k4v n GLN 20 N -0.60 1.95 -2.93 -1.24 -0.06 -1.26 -4.78 117.38 108.46 2k4v n GLN 20 Ca 0.17 -1.54 -0.40 0.00 -2.00 0.00 0.00 57.00 53.24 2k4v n GLN 20 Cb 0.85 -1.80 -0.06 0.00 -4.06 0.00 0.00 30.24 25.18 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2k4v s GLN 21 N -1.03 4.60 -1.20 3.69 0.74 -1.26 -4.99 119.66 120.22 2k4v s GLN 21 Ca 0.44 1.21 -0.20 0.00 0.05 0.00 0.00 55.36 56.86 2k4v s GLN 21 Cb 0.28 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 31.12 2k4v s GLN 21 CO -0.08 0.47 1.73 0.34 -0.55 0.00 0.00 175.29 177.20 2k4v s ASP 22 N -0.80 6.31 -0.18 6.67 -1.08 -1.26 -4.75 116.67 121.59 2k4v s ASP 22 Ca 0.38 -1.98 -0.03 0.00 -0.52 0.00 0.00 52.55 50.40 2k4v s ASP 22 Cb -0.23 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.63 2k4v s ASP 22 CO 0.27 -1.71 -0.04 0.27 0.52 0.00 0.00 175.17 174.47 2k4v s ILE 23 N 6.09 3.66 -0.15 4.11 -5.25 -1.26 -1.94 121.20 126.45 2k4v s ILE 23 Ca 0.56 -0.43 -0.05 0.00 -0.99 0.00 0.00 60.65 59.75 2k4v s ILE 23 Cb 0.02 -2.62 0.08 0.00 2.95 0.00 0.00 42.46 42.88 2k4v s ILE 23 CO 0.05 0.47 0.27 0.54 -1.79 0.00 0.00 174.94 174.48 2k4v s ASN 24 N 0.75 0.49 -0.02 4.36 2.20 -1.25 -3.79 114.94 117.68 2k4v s ASN 24 Ca -0.02 0.45 -0.07 0.00 -0.94 0.00 0.00 52.86 52.28 2k4v s ASN 24 Cb -0.15 0.70 0.01 0.00 -2.00 0.00 0.00 41.25 39.81 2k4v s ASN 24 CO 0.02 -0.26 0.16 -0.63 -2.94 0.00 0.00 177.10 173.45 2k4v s ILE 25 N 2.42 0.05 0.02 0.54 1.01 -0.13 -2.15 121.20 122.96 2k4v s ILE 25 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2k4v s ILE 25 Cb -0.13 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2k4v s ILE 25 CO -0.10 -0.22 -0.01 -1.00 0.00 0.00 0.00 174.94 173.60 2k4v s HIS 26 N -0.79 3.02 -0.21 3.97 3.76 0.32 -0.99 115.29 124.36 2k4v s HIS 26 Ca -0.09 0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.84 2k4v s HIS 26 Cb -0.05 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 32.07 2k4v s HIS 26 CO 0.01 0.45 0.01 0.42 -0.85 0.00 0.00 174.74 174.78 2k4v s ILE 27 N -1.11 0.85 -0.09 0.60 1.01 -0.38 -3.28 121.20 118.79 2k4v s ILE 27 Ca 0.20 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 2k4v s ILE 27 Cb -0.11 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2k4v s ILE 27 CO 0.11 -0.20 0.20 -0.13 0.00 0.00 0.00 174.94 174.92 2k4v s ARG 28 N 1.71 3.54 -0.19 2.79 0.52 -0.38 -0.54 118.95 126.40 2k4v s ARG 28 Ca -0.02 -0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2k4v s ARG 28 Cb -0.18 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.13 2k4v s ARG 28 CO -0.08 0.76 -0.15 1.52 0.02 0.00 0.00 175.30 177.37 2k4v s TYR 29 N -1.05 2.70 -0.23 -0.53 1.13 -1.13 -1.26 117.35 117.00 2k4v s TYR 29 Ca 0.17 -1.70 0.01 0.00 -1.41 0.00 0.00 57.07 54.14 2k4v s TYR 29 Cb -0.13 -1.81 0.05 0.00 -1.10 0.00 0.00 41.96 38.97 2k4v s TYR 29 CO 0.06 -0.79 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.02 2k4v s GLU 30 N 1.31 1.92 -0.28 -3.49 2.02 -0.57 -4.80 118.70 114.81 2k4v s GLU 30 Ca 0.01 -1.00 -0.20 0.00 0.02 0.00 0.00 54.97 53.79 2k4v s GLU 30 Cb -0.15 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 2k4v s GLU 30 CO -0.10 -0.52 0.62 0.08 0.02 0.00 0.00 175.26 175.36 2k4v s VAL 31 N 1.34 4.97 0.16 2.63 1.01 -1.26 -0.93 120.40 128.32 2k4v s VAL 31 Ca -0.05 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.00 2k4v s VAL 31 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2k4v s VAL 31 CO -0.07 -0.05 -0.11 -0.60 0.00 0.00 0.00 175.10 174.27 2k4v s ARG 32 N 2.54 2.02 -0.31 2.72 3.52 -0.53 -4.99 118.95 123.93 2k4v s ARG 32 Ca 0.25 -1.23 -0.05 0.00 -0.13 0.00 0.00 55.73 54.58 2k4v s ARG 32 Cb -0.15 -2.17 0.04 0.00 -1.56 0.00 0.00 34.95 31.11 2k4v s ARG 32 CO 0.10 0.45 0.05 -0.65 -0.81 0.00 0.00 175.30 174.44 2k4v s GLN 33 N -2.65 2.67 -0.12 5.12 -1.52 -1.26 -1.54 119.66 120.36 2k4v s GLN 33 Ca 0.23 -1.12 -0.04 0.00 -1.95 0.00 0.00 55.36 52.48 2k4v s GLN 33 Cb -0.09 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 2k4v s GLN 33 CO 0.14 -0.58 0.03 0.54 -0.25 0.00 0.00 175.29 175.17 2k4v s ASN 34 N 1.37 5.48 0.59 5.90 4.22 -0.63 -4.98 114.94 126.88 2k4v s ASN 34 Ca -0.02 0.16 0.38 0.00 -2.14 0.00 0.00 52.86 51.24 2k4v s ASN 34 Cb -0.19 -1.71 1.76 0.00 1.28 0.00 0.00 41.25 42.39 2k4v s ASN 34 CO 0.01 0.32 2.13 0.00 -2.04 0.00 0.00 177.10 177.52 2k4v h ALA 35 N 5.61 1.01 -0.19 3.54 0.00 -1.99 0.18 119.26 127.41 2k4v h ALA 35 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k4v h ALA 35 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k4v h ALA 35 CO 0.59 0.01 -0.13 1.49 0.00 0.00 0.00 179.25 181.21 2k4v h GLU 36 N 0.00 0.43 0.00 0.00 4.22 -2.05 -3.40 114.58 113.78 2k4v h GLU 36 Ca -0.00 -0.21 -0.09 0.00 0.08 0.00 0.00 59.36 59.15 2k4v h GLU 36 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k4v h GLU 36 CO 0.00 0.75 -1.33 0.45 -2.18 0.00 0.00 179.01 176.70 2k4v n SER 37 N -4.53 3.33 0.00 1.04 2.88 -1.15 -5.15 113.62 110.04 2k4v n SER 37 Ca -0.05 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2k4v n SER 37 Cb 0.35 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k4v n GLY 38 N 3.18 0.26 3.71 0.46 0.00 0.61 -5.03 105.19 108.38 2k4v n GLY 38 Ca -0.10 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2k4v n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v s ALA 39 N -1.91 3.49 0.16 4.61 0.00 -1.26 -1.61 121.76 125.24 2k4v s ALA 39 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 2k4v s ALA 39 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2k4v s ALA 39 CO 0.00 -0.57 0.21 1.52 0.00 0.00 0.00 175.76 176.92 2k4v s TYR 40 N 1.29 0.65 -0.10 0.00 1.13 -0.59 -2.54 117.35 117.19 2k4v s TYR 40 Ca 0.61 -0.99 0.03 0.00 -1.41 0.00 0.00 57.07 55.31 2k4v s TYR 40 Cb -0.32 -0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2k4v s TYR 40 CO 0.29 -0.67 -0.21 0.08 -2.51 0.00 0.00 175.55 172.54 2k4v s VAL 41 N -4.02 1.84 -0.40 -3.49 1.01 -0.48 -1.45 120.40 113.40 2k4v s VAL 41 Ca 0.23 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2k4v s VAL 41 Cb 0.05 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2k4v s VAL 41 CO 0.03 0.51 0.74 -2.28 0.00 0.00 0.00 175.10 174.10 2k4v s HIS 42 N 0.53 3.07 -0.25 5.22 2.46 -0.10 -1.81 115.29 124.40 2k4v s HIS 42 Ca -0.15 0.30 -0.15 0.00 0.47 0.00 0.00 55.06 55.53 2k4v s HIS 42 Cb -0.17 -3.45 -0.04 0.00 -0.13 0.00 0.00 32.58 28.80 2k4v s HIS 42 CO 0.05 -0.83 0.39 -0.06 -2.47 0.00 0.00 174.74 171.83 2k4v s PHE 43 N 3.07 3.28 -0.22 3.88 0.08 -0.46 -1.51 117.98 126.10 2k4v s PHE 43 Ca 0.29 0.48 0.02 0.00 0.12 0.00 0.00 56.93 57.83 2k4v s PHE 43 Cb -0.13 -2.57 0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2k4v s PHE 43 CO 0.19 -0.18 -0.15 0.34 -0.10 0.00 0.00 175.22 175.32 2k4v s ASP 44 N 1.48 3.79 0.04 1.36 2.15 -0.39 -1.97 116.67 123.14 2k4v s ASP 44 Ca 0.16 -1.03 0.09 0.00 0.43 0.00 0.00 52.55 52.20 2k4v s ASP 44 Cb -0.15 -1.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.95 2k4v s ASP 44 CO 0.09 -0.11 -0.25 -0.04 -0.17 0.00 0.00 175.17 174.70 2k4v s MET 45 N 1.21 1.86 0.19 4.34 -1.94 -0.14 -1.25 119.30 123.58 2k4v s MET 45 Ca -0.02 -1.08 -0.18 0.00 -1.71 0.00 0.00 55.69 52.70 2k4v s MET 45 Cb -0.17 -2.02 0.03 0.00 2.01 0.00 0.00 34.83 34.68 2k4v s MET 45 CO -0.09 0.52 0.53 0.16 -0.01 0.00 0.00 175.02 176.14 2k4v s ASP 46 N -1.25 -0.28 0.00 3.03 -4.77 -1.21 -1.12 116.67 111.07 2k4v s ASP 46 Ca 0.12 -0.45 0.00 0.00 -3.30 0.00 0.00 52.55 48.92 2k4v s ASP 46 Cb -0.10 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 2k4v s ASP 46 CO 0.02 -1.05 0.00 0.61 0.70 0.00 0.00 175.17 175.45 2k4v n GLY 47 N -0.35 -0.52 2.77 2.12 0.00 -0.91 -0.52 105.19 107.78 2k4v n GLY 47 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2k4v n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 48 N -1.44 0.21 -0.21 1.61 -1.05 -0.92 -1.42 118.70 115.48 2k4v s GLU 48 Ca 0.00 0.23 -0.10 0.00 -0.15 0.00 0.00 54.97 54.95 2k4v s GLU 48 Cb 0.00 -1.14 -0.05 0.00 -0.44 0.00 0.00 34.13 32.50 2k4v s GLU 48 CO 0.00 -0.66 0.15 0.42 0.95 0.00 0.00 175.26 176.12 2k4v s ILE 49 N 2.35 5.38 -1.52 1.83 1.01 -0.58 -3.98 121.20 125.69 2k4v s ILE 49 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2k4v s ILE 49 Cb -0.16 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2k4v s ILE 49 CO -0.13 0.40 0.00 0.47 0.00 0.00 0.00 174.94 175.68 2k4v n ASP 50 N 3.83 -5.37 0.00 3.58 8.00 -0.82 -1.29 116.55 124.48 2k4v n ASP 50 Ca -0.15 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2k4v n ASP 50 Cb 0.52 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4v n GLY 51 N -0.36 3.21 3.59 0.44 0.00 -1.26 -5.08 105.19 105.73 2k4v n GLY 51 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2k4v n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4v s LYS 52 N -0.77 3.69 0.36 1.61 1.02 -0.41 -4.96 119.74 120.27 2k4v s LYS 52 Ca 0.00 0.43 -0.26 0.00 0.02 0.00 0.00 55.97 56.16 2k4v s LYS 52 Cb 0.00 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.33 2k4v s LYS 52 CO 0.00 -1.21 1.10 -1.25 -0.92 0.00 0.00 175.35 173.06 2k4v s PRO 53 N 3.95 4.30 0.12 -1.68 0.04 -1.26 -1.52 135.00 138.96 2k4v s PRO 53 Ca 0.42 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2k4v s PRO 53 Cb -0.09 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2k4v s PRO 53 CO 0.26 -0.06 0.27 -0.59 0.04 0.00 0.00 177.00 176.92 2k4v s PHE 54 N -1.42 0.14 -0.12 0.56 -0.71 -0.51 -4.97 117.98 110.95 2k4v s PHE 54 Ca 0.53 -0.53 -0.05 0.00 -1.04 0.00 0.00 56.93 55.84 2k4v s PHE 54 Cb -0.28 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.62 2k4v s PHE 54 CO 0.35 -0.64 0.26 0.45 -1.34 0.00 0.00 175.22 174.29 2k4v s SER 55 N -2.88 0.29 0.02 1.98 0.15 -1.26 -2.14 113.70 109.86 2k4v s SER 55 Ca 0.08 0.57 0.01 0.00 0.70 0.00 0.00 55.95 57.31 2k4v s SER 55 Cb 0.04 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2k4v s SER 55 CO -0.08 -0.23 -0.04 -0.62 1.20 0.00 0.00 173.24 173.48 2k4v s ASP 56 N 2.26 0.36 -0.03 5.45 -1.08 -0.28 -5.00 116.67 118.36 2k4v s ASP 56 Ca -0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 52.55 51.66 2k4v s ASP 56 Cb -0.12 0.03 0.01 0.00 -1.46 0.00 0.00 42.92 41.38 2k4v s ASP 56 CO -0.08 -0.14 0.14 -0.94 0.52 0.00 0.00 175.17 174.67 2k4v s SER 57 N -0.87 -0.06 -0.01 -0.34 1.04 -1.26 -0.97 113.70 111.22 2k4v s SER 57 Ca -0.07 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2k4v s SER 57 Cb -0.06 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2k4v s SER 57 CO -0.00 -0.20 -0.02 0.72 0.98 0.00 0.00 173.24 174.71 2k4v s PHE 58 N -0.61 0.30 -0.16 5.02 -0.71 -0.83 -5.02 117.98 115.97 2k4v s PHE 58 Ca -0.07 -0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 55.77 2k4v s PHE 58 Cb -0.04 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.50 2k4v s PHE 58 CO 0.01 -0.04 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.53 2k4v s GLU 59 N 0.23 3.36 -0.08 1.99 8.01 -1.26 -1.36 118.70 129.59 2k4v s GLU 59 Ca -0.02 -0.68 0.01 0.00 0.01 0.00 0.00 54.97 54.30 2k4v s GLU 59 Cb -0.05 -2.74 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 2k4v s GLU 59 CO -0.01 0.07 -0.10 -0.51 0.01 0.00 0.00 175.26 174.73 2k4v s LEU 60 N 0.73 1.44 0.91 1.80 1.43 -0.75 -4.97 118.68 119.27 2k4v s LEU 60 Ca -0.05 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2k4v s LEU 60 Cb -0.15 -0.81 0.14 0.00 0.03 0.00 0.00 46.19 45.39 2k4v s LEU 60 CO 0.02 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 2k4v s PRO 61 N 1.11 1.12 0.39 1.29 0.04 -1.26 -1.38 135.00 136.30 2k4v s PRO 61 Ca -0.06 1.00 0.20 0.00 0.04 0.00 0.00 61.00 62.18 2k4v s PRO 61 Cb -0.14 -1.78 1.18 0.00 0.04 0.00 0.00 34.50 33.80 2k4v s PRO 61 CO -0.01 -2.39 1.70 -0.09 0.04 0.00 0.00 177.00 176.24 2k4v h ARG 62 N -1.67 0.29 0.00 4.56 2.43 -1.85 0.47 114.38 118.62 2k4v h ARG 62 Ca -0.49 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2k4v h ARG 62 Cb 1.28 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2k4v h ARG 62 CO 0.51 0.19 -0.14 0.22 -1.51 0.00 0.00 179.97 179.24 2k4v h ASP 63 N 0.29 0.00 0.00 -3.80 3.58 -1.92 -3.11 116.42 111.47 2k4v h ASP 63 Ca 0.70 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.15 2k4v h ASP 63 Cb 1.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.90 2k4v h ASP 63 CO -0.43 0.14 -0.06 0.35 -2.88 0.00 0.00 179.24 176.37 2k4v n THR 64 N -4.35 0.62 0.27 2.25 -2.24 -0.24 -4.79 114.28 105.80 2k4v n THR 64 Ca -0.03 -0.66 0.10 0.00 -2.27 0.00 0.00 64.05 61.20 2k4v n THR 64 Cb 0.21 0.60 0.72 0.00 -2.10 0.00 0.00 70.33 69.76 2k4v n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4v h ALA 65 N 0.00 1.73 0.00 6.98 0.00 -0.06 -2.25 119.26 125.66 2k4v h ALA 65 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k4v h ALA 65 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k4v h ALA 65 CO 0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.49 2k4v n PHE 66 N -4.19 0.00 0.71 0.00 3.72 -1.26 -1.84 117.46 114.60 2k4v n PHE 66 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 2k4v n PHE 66 Cb 0.13 -0.12 0.28 0.00 -0.94 0.00 0.00 39.48 38.82 2k4v n PHE 66 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2k4v n ASN 67 N -1.12 2.67 -0.07 4.37 3.02 -0.85 -4.62 115.26 118.66 2k4v n ASN 67 Ca 0.10 -1.88 -0.07 0.00 -0.03 0.00 0.00 54.58 52.70 2k4v n ASN 67 Cb 0.09 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2k4v h PHE 68 N 3.48 -0.01 -0.03 3.10 -0.00 -1.56 -2.61 116.94 119.31 2k4v h PHE 68 Ca 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 57.97 57.78 2k4v h PHE 68 Cb 0.77 0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 36.76 2k4v h PHE 68 CO 0.19 -0.04 -0.86 0.00 -0.00 0.00 0.00 178.31 177.60 2k4v h ALA 69 N 1.24 0.46 -0.28 12.09 0.00 -1.85 0.11 119.26 131.04 2k4v h ALA 69 Ca 0.14 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 2k4v h ALA 69 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k4v h ALA 69 CO -0.23 0.81 -0.57 0.66 0.00 0.00 0.00 179.25 179.92 2k4v h SER 70 N 0.23 0.98 0.45 0.00 4.64 -1.88 -0.82 113.55 117.16 2k4v h SER 70 Ca -0.06 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.70 2k4v h SER 70 Cb 1.47 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2k4v h SER 70 CO 0.15 1.34 -0.22 -0.78 -0.87 0.00 0.00 176.83 176.45 2k4v h ASP 71 N 0.65 -0.52 -0.98 4.97 1.82 -1.44 -1.96 116.42 118.96 2k4v h ASP 71 Ca 0.01 -0.09 0.28 0.00 -0.39 0.00 0.00 57.03 56.83 2k4v h ASP 71 Cb 1.18 0.13 -0.14 0.00 0.68 0.00 0.00 39.33 41.19 2k4v h ASP 71 CO 0.13 -0.15 0.54 0.00 -1.61 0.00 0.00 179.24 178.14 2k4v h ALA 72 N -0.60 1.79 -0.11 -0.78 0.00 -0.98 0.64 119.26 119.22 2k4v h ALA 72 Ca -0.06 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2k4v h ALA 72 Cb 0.58 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k4v h ALA 72 CO 0.10 -0.43 -0.19 1.15 0.00 0.00 0.00 179.25 179.88 2k4v h THR 73 N 0.42 1.38 0.09 0.00 2.02 -1.18 -2.78 112.91 112.86 2k4v h THR 73 Ca 0.67 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 2k4v h THR 73 Cb 1.41 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2k4v h THR 73 CO -0.56 0.42 -0.05 -0.09 0.37 0.00 0.00 175.52 175.62 2k4v h ARG 74 N -0.10 -0.12 -0.23 6.66 2.43 -0.40 -2.07 114.38 120.55 2k4v h ARG 74 Ca 0.01 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2k4v h ARG 74 Cb 0.76 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2k4v h ARG 74 CO 0.04 -0.00 -0.30 -0.24 -1.51 0.00 0.00 179.97 177.95 2k4v h VAL 75 N -0.21 1.28 -0.91 0.20 3.04 -1.05 0.29 116.25 118.88 2k4v h VAL 75 Ca -0.01 -1.36 0.01 0.00 -1.01 0.00 0.00 66.70 64.32 2k4v h VAL 75 Cb 0.17 1.44 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 2k4v h VAL 75 CO 0.02 0.43 0.61 0.00 -1.01 0.00 0.00 177.57 177.62 2k4v h ALA 76 N 1.28 1.35 -0.01 3.17 0.00 -1.38 -1.70 119.26 121.96 2k4v h ALA 76 Ca 0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2k4v h ALA 76 Cb 0.74 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k4v h ALA 76 CO 0.06 0.60 -0.95 1.96 0.00 0.00 0.00 179.25 180.93 2k4v h GLN 77 N 1.24 0.48 -0.36 0.00 4.20 -0.60 -3.00 115.11 117.08 2k4v h GLN 77 Ca 0.33 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 2k4v h GLN 77 Cb -0.14 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2k4v h GLN 77 CO -0.07 1.15 0.00 0.87 -0.67 0.00 0.00 178.83 180.11 2k4v h LYS 78 N 0.28 0.56 -0.00 1.46 1.57 -0.75 -2.56 116.57 117.13 2k4v h LYS 78 Ca -0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2k4v h LYS 78 Cb 1.58 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2k4v h LYS 78 CO 0.17 0.58 0.00 0.72 -0.57 0.00 0.00 179.45 180.35 2k4v n HIS 79 N -4.27 0.00 0.00 -1.35 8.25 -0.66 -4.87 115.22 112.32 2k4v n HIS 79 Ca 0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2k4v n HIS 79 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k4v n GLY 80 N 0.85 2.08 3.68 -1.41 0.00 -0.97 -4.75 105.19 104.67 2k4v n GLY 80 Ca 0.17 -0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2k4v n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4v n LEU 81 N 0.00 3.61 -3.66 0.99 7.94 -1.14 -4.97 117.00 119.76 2k4v n LEU 81 Ca 0.00 0.98 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 2k4v n LEU 81 Cb 0.00 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.39 2k4v n LEU 81 CO 0.00 -0.01 -0.22 -2.28 -1.11 0.00 0.00 177.39 173.77 2k4v s HIS 82 N 3.37 2.05 0.27 1.96 5.65 -1.26 -4.17 115.29 123.15 2k4v s HIS 82 Ca 0.88 -2.56 -0.24 0.00 0.25 0.00 0.00 55.06 53.39 2k4v s HIS 82 Cb -0.61 -1.79 -0.09 0.00 -1.18 0.00 0.00 32.58 28.91 2k4v s HIS 82 CO 0.45 -0.75 0.85 -1.25 -0.65 0.00 0.00 174.74 173.40 2k4v s PRO 83 N -0.06 4.50 0.11 2.88 0.04 -1.26 -4.95 135.00 136.27 2k4v s PRO 83 Ca 0.23 1.17 0.20 0.00 0.04 0.00 0.00 61.00 62.64 2k4v s PRO 83 Cb -0.14 -2.92 0.83 0.00 0.04 0.00 0.00 34.50 32.32 2k4v s PRO 83 CO -0.08 0.37 1.62 1.17 0.04 0.00 0.00 177.00 180.12 2k4v n LYS 84 N 0.80 0.09 -0.02 4.56 3.00 -1.26 -1.91 118.16 123.43 2k4v n LYS 84 Ca -0.01 0.29 -0.09 0.00 -0.00 0.00 0.00 58.31 58.50 2k4v n LYS 84 Cb 0.50 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 33.83 2k4v n LYS 84 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2k4v h PHE 85 N 0.00 -0.05 0.00 5.64 -1.00 -1.92 -3.47 116.94 116.14 2k4v h PHE 85 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2k4v h PHE 85 Cb 0.35 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2k4v h PHE 85 CO 0.00 -0.05 0.00 0.41 -1.61 0.00 0.00 178.31 177.06 2k4v n GLY 86 N -1.17 1.55 0.00 -1.45 0.00 -0.80 -2.09 105.19 101.24 2k4v n GLY 86 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v n ALA 87 N 0.07 0.45 -2.49 4.61 0.00 -1.26 -4.95 120.51 116.92 2k4v n ALA 87 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2k4v n ALA 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2k4v n ALA 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k4v s ILE 88 N 0.00 5.00 0.07 0.00 -4.36 -0.89 -5.02 121.20 116.01 2k4v s ILE 88 Ca 0.00 0.51 -0.13 0.00 -0.26 0.00 0.00 60.65 60.77 2k4v s ILE 88 Cb 0.00 -3.66 -0.25 0.00 1.25 0.00 0.00 42.46 39.80 2k4v s ILE 88 CO 0.00 0.17 1.17 0.74 0.24 0.00 0.00 174.94 177.26 2k4v h THR 89 N 2.58 1.30 0.00 8.37 2.02 -2.00 -3.45 112.91 121.73 2k4v h THR 89 Ca -0.48 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.33 2k4v h THR 89 Cb 1.18 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2k4v h THR 89 CO 0.67 0.72 0.00 -1.14 0.37 0.00 0.00 175.52 176.15 2k4v n ARG 90 N -3.81 0.00 -1.06 6.66 0.63 -1.26 -4.88 116.66 112.94 2k4v n ARG 90 Ca -0.11 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.49 2k4v n ARG 90 Cb 0.92 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.96 2k4v n ARG 90 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2k4v s VAL 91 N 0.00 2.26 0.29 5.15 1.01 -1.26 -4.98 120.40 122.87 2k4v s VAL 91 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2k4v s VAL 91 Cb 0.00 -2.41 -0.12 0.00 0.00 0.00 0.00 36.38 33.85 2k4v s VAL 91 CO 0.00 -0.09 1.51 1.41 0.00 0.00 0.00 175.10 177.93 2k4v n HIS 92 N -3.52 2.61 -1.86 5.22 8.25 -1.26 -4.91 115.22 119.75 2k4v n HIS 92 Ca 0.12 0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 57.50 2k4v n HIS 92 Cb 0.51 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.06 2k4v n HIS 92 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2k4v s LYS 93 N -0.67 4.12 -0.02 -0.41 -2.85 -1.26 -4.83 119.74 113.81 2k4v s LYS 93 Ca 0.64 2.34 0.08 0.00 -1.00 0.00 0.00 55.97 58.03 2k4v s LYS 93 Cb -0.55 -4.07 0.21 0.00 -2.06 0.00 0.00 37.83 31.36 2k4v s LYS 93 CO 0.51 -0.95 1.17 -0.85 0.10 0.00 0.00 175.35 175.33 2k4v n GLU 94 N 7.37 2.82 -0.31 1.78 -0.00 -1.26 -4.83 120.64 126.22 2k4v n GLU 94 Ca 0.19 -1.95 0.01 0.00 -0.00 0.00 0.00 57.16 55.40 2k4v n GLU 94 Cb 0.42 -1.24 0.14 0.00 -0.00 0.00 0.00 31.44 30.77 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2k4v h TYR 95 N 1.13 0.99 -0.78 -1.84 3.20 -2.01 -2.65 116.97 115.00 2k4v h TYR 95 Ca 0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2k4v h TYR 95 Cb 0.73 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 2k4v h TYR 95 CO 0.15 0.50 0.45 -0.44 -1.64 0.00 0.00 178.16 177.18 2k4v h ASP 96 N 0.97 0.65 -0.31 -2.11 5.19 -1.99 0.03 116.42 118.85 2k4v h ASP 96 Ca 0.37 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2k4v h ASP 96 Cb 0.16 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2k4v h ASP 96 CO -0.17 0.39 0.18 0.00 -3.12 0.00 0.00 179.24 176.52 2k4v h ALA 97 N 1.42 0.39 0.16 3.45 0.00 -1.87 -2.00 119.26 120.81 2k4v h ALA 97 Ca 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k4v h ALA 97 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k4v h ALA 97 CO -0.22 -0.11 -0.08 1.98 0.00 0.00 0.00 179.25 180.82 2k4v h MET 98 N 0.39 -0.20 -0.32 0.00 1.85 -1.43 -1.73 114.93 113.49 2k4v h MET 98 Ca 0.11 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.29 2k4v h MET 98 Cb 0.01 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.01 2k4v h MET 98 CO -0.02 -0.09 -0.20 0.35 -0.40 0.00 0.00 176.91 176.55 2k4v h PHE 99 N -0.27 -0.51 0.00 1.39 3.57 -0.88 -1.75 116.94 118.49 2k4v h PHE 99 Ca -0.02 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 2k4v h PHE 99 Cb 0.21 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2k4v h PHE 99 CO -0.05 -0.28 -0.92 1.05 -2.23 0.00 0.00 178.31 175.88 2k4v h GLU 100 N -0.16 0.00 -0.42 1.11 4.11 -1.41 -2.99 114.58 114.82 2k4v h GLU 100 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 2k4v h GLU 100 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k4v h GLU 100 CO -0.42 0.66 -0.08 0.22 0.07 0.00 0.00 179.01 179.46 2k4v h ASP 101 N 0.00 0.70 0.49 3.06 3.58 -1.12 -2.09 116.42 121.05 2k4v h ASP 101 Ca -0.05 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2k4v h ASP 101 Cb 1.61 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 2k4v h ASP 101 CO 0.09 0.82 -0.29 0.40 -2.88 0.00 0.00 179.24 177.39 2k4v h ILE 102 N 0.66 0.41 -0.15 2.25 2.04 -1.31 -1.39 117.51 120.03 2k4v h ILE 102 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2k4v h ILE 102 Cb 0.53 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2k4v h ILE 102 CO 0.03 0.00 0.13 0.08 0.00 0.00 0.00 178.15 178.39 2k4v h ARG 103 N -0.73 0.00 -0.05 2.37 -0.00 -1.39 -0.17 114.38 114.41 2k4v h ARG 103 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.88 2k4v h ARG 103 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 2k4v h ARG 103 CO 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 179.97 179.92 2k4v h ALA 104 N 1.89 0.08 -0.58 0.08 0.00 -1.30 -3.13 119.26 116.30 2k4v h ALA 104 Ca 0.07 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2k4v h ALA 104 Cb 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k4v h ALA 104 CO -0.00 -0.03 0.38 -0.22 0.00 0.00 0.00 179.25 179.39 2k4v h LYS 105 N -0.36 0.62 0.00 0.00 1.63 -0.03 -1.73 116.57 116.70 2k4v h LYS 105 Ca -0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2k4v h LYS 105 Cb 0.73 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2k4v h LYS 105 CO 0.03 0.41 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.31 2k4v h LEU 106 N 0.64 0.00 -0.85 5.20 -0.00 -1.09 -0.60 115.31 118.61 2k4v h LEU 106 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2k4v h LEU 106 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2k4v h LEU 106 CO -0.07 0.05 0.00 -0.74 -0.00 0.00 0.00 178.44 177.69 2k4v h HIS 107 N 0.00 0.00 0.00 1.13 2.76 -1.26 -3.45 115.15 114.33 2k4v h HIS 107 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k4v h HIS 107 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2k4v h HIS 107 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 2k4v n ALA 108 N -1.97 0.00 -3.18 5.26 0.00 -0.23 -5.04 120.51 115.35 2k4v n ALA 108 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2k4v n ALA 108 Cb 0.33 -0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N -2.00 -0.16 -0.77 0.00 3.76 -1.26 -5.07 115.29 109.79 2k4v s HIS 109 Ca 0.00 0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 55.06 2k4v s HIS 109 Cb 0.00 0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.68 2k4v s HIS 109 CO 0.00 -0.10 1.89 -1.25 -0.85 0.00 0.00 174.74 174.43 2k4v s PRO 110 N 0.33 2.62 -0.88 8.40 0.04 -1.26 -4.37 135.00 139.87 2k4v s PRO 110 Ca -0.02 0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 2k4v s PRO 110 Cb -0.03 -4.75 0.11 0.00 0.04 0.00 0.00 34.50 29.87 2k4v s PRO 110 CO -0.01 -3.05 2.52 0.41 0.04 0.00 0.00 177.00 176.91 2k4v n GLY 111 N 6.32 4.88 3.76 0.56 0.00 -1.26 -5.03 105.19 114.41 2k4v n GLY 111 Ca 0.31 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2k4v n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4v s GLU 112 N -1.71 3.43 1.01 1.61 2.02 -1.26 -4.78 118.70 119.02 2k4v s GLU 112 Ca 0.55 2.07 -0.17 0.00 0.02 0.00 0.00 54.97 57.45 2k4v s GLU 112 Cb 0.29 -2.35 0.24 0.00 0.10 0.00 0.00 34.13 32.40 2k4v s GLU 112 CO -0.17 -0.91 1.18 -0.35 0.02 0.00 0.00 175.26 175.03 2k4v n PRO 113 N -0.74 -1.87 -3.91 0.39 -0.04 -1.26 -5.08 135.00 122.49 2k4v n PRO 113 Ca 0.09 -1.84 -0.28 0.00 -0.04 0.00 0.00 63.50 61.43 2k4v n PRO 113 Cb 0.46 -1.38 -0.17 0.00 -0.04 0.00 0.00 33.50 32.37 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4v s VAL 114 N -3.44 1.15 -0.35 0.52 0.11 -1.26 -5.02 120.40 112.11 2k4v s VAL 114 Ca 0.70 -0.53 0.10 0.00 -2.93 0.00 0.00 61.98 59.32 2k4v s VAL 114 Cb -0.04 -1.24 0.45 0.00 -1.53 0.00 0.00 36.38 34.02 2k4v s VAL 114 CO 0.50 0.24 1.11 0.47 -3.33 0.00 0.00 175.10 174.10 2k4v n ASP 115 N 4.88 3.78 -0.06 3.54 9.92 -1.26 -4.83 116.55 132.52 2k4v n ASP 115 Ca -0.13 -3.31 -0.05 0.00 -0.53 0.00 0.00 54.79 50.77 2k4v n ASP 115 Cb 0.49 -0.44 0.16 0.00 -0.64 0.00 0.00 41.12 40.69 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2k4v h LEU 116 N 2.53 0.67 -0.87 0.64 8.10 -2.02 -2.56 115.31 121.79 2k4v h LEU 116 Ca 0.19 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2k4v h LEU 116 Cb 1.21 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.25 2k4v h LEU 116 CO 0.66 0.83 0.00 1.05 -4.11 0.00 0.00 178.44 176.88 2k4v h GLU 117 N 0.62 0.00 0.00 0.17 4.11 -1.99 -3.19 114.58 114.30 2k4v h GLU 117 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 2k4v h GLU 117 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2k4v h GLU 117 CO 0.04 0.00 -0.47 -0.09 0.07 0.00 0.00 179.01 178.56 2k4v h ARG 118 N 0.00 0.00 0.02 1.06 2.43 -1.83 -1.18 114.38 114.88 2k4v h ARG 118 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2k4v h ARG 118 Cb 0.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2k4v h ARG 118 CO 0.00 0.47 -0.99 0.82 -1.51 0.00 0.00 179.97 178.76 2k4v h ILE 119 N 0.00 1.62 0.00 1.20 1.08 -1.61 -3.29 117.51 116.50 2k4v h ILE 119 Ca -0.00 -3.10 0.00 0.00 -0.39 0.00 0.00 64.86 61.37 2k4v h ILE 119 Cb 0.94 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 2k4v h ILE 119 CO 0.06 0.89 0.00 0.40 -0.69 0.00 0.00 178.15 178.81 2k4v h ILE 120 N 0.03 0.00 -1.02 -0.67 1.08 -1.37 -3.45 117.51 112.10 2k4v h ILE 120 Ca -0.04 -0.68 -0.55 0.00 -0.39 0.00 0.00 64.86 63.20 2k4v h ILE 120 Cb 1.70 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 37.06 2k4v h ILE 120 CO 0.14 0.00 1.58 0.54 -0.69 0.00 0.00 178.15 179.72 2k4v n ARG 121 N -2.82 0.82 -3.04 2.37 5.12 -0.53 -4.93 116.66 113.65 2k4v n ARG 121 Ca 0.03 0.12 -0.40 0.00 -1.93 0.00 0.00 57.85 55.67 2k4v n ARG 121 Cb 0.42 -2.59 -0.05 0.00 -1.16 0.00 0.00 32.46 29.08 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2k4v s HIS 122 N 9.46 3.49 -0.17 -1.55 5.65 -1.26 -5.05 115.29 125.86 2k4v s HIS 122 Ca 1.12 1.15 -0.05 0.00 0.25 0.00 0.00 55.06 57.53 2k4v s HIS 122 Cb -0.71 -2.84 0.08 0.00 -1.18 0.00 0.00 32.58 27.94 2k4v s HIS 122 CO 0.41 -0.04 0.33 -2.00 -0.65 0.00 0.00 174.74 172.78 2k4v s GLU 123 N 1.35 0.23 -0.44 2.88 -6.30 -1.26 -5.07 118.70 110.10 2k4v s GLU 123 Ca 0.35 0.80 0.07 0.00 -2.50 0.00 0.00 54.97 53.69 2k4v s GLU 123 Cb -0.17 -0.01 0.31 0.00 0.00 0.00 0.00 34.13 34.26 2k4v s GLU 123 CO 0.15 -0.33 0.97 0.41 0.02 0.00 0.00 175.26 176.48 2k4v n GLY 124 N 5.37 1.20 0.26 -1.50 0.00 -1.26 -5.24 105.19 104.01 2k4v n GLY 124 Ca -0.07 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06