#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 1.47 3.79 2.61 0.00 -1.26 -4.74 105.19 107.06 2k4v n GLY 2 Ca 0.00 0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4v s HIS 3 N 0.00 3.81 -0.11 1.61 0.00 -1.20 -1.79 115.29 117.61 2k4v s HIS 3 Ca 0.00 1.56 -0.18 0.00 -3.00 0.00 0.00 55.06 53.44 2k4v s HIS 3 Cb 0.00 -2.73 0.04 0.00 -4.00 0.00 0.00 32.58 25.90 2k4v s HIS 3 CO 0.00 0.44 0.45 1.41 -1.00 0.00 0.00 174.74 176.04 2k4v s MET 4 N -1.48 0.65 0.04 -0.38 1.75 -0.23 -4.99 119.30 114.67 2k4v s MET 4 Ca 0.39 0.36 0.07 0.00 -1.25 0.00 0.00 55.69 55.25 2k4v s MET 4 Cb -0.21 0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 2k4v s MET 4 CO 0.24 -0.14 -0.20 0.12 -0.65 0.00 0.00 175.02 174.40 2k4v s PHE 5 N -0.40 1.73 0.02 4.11 5.36 -1.26 -0.65 117.98 126.89 2k4v s PHE 5 Ca -0.05 -0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 55.49 2k4v s PHE 5 Cb -0.03 -1.04 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 2k4v s PHE 5 CO 0.03 0.07 0.11 -1.83 -1.46 0.00 0.00 175.22 172.14 2k4v s GLU 6 N -1.10 0.53 -0.64 10.12 -1.05 -0.46 -5.02 118.70 121.09 2k4v s GLU 6 Ca 0.07 -0.60 -0.26 0.00 -0.15 0.00 0.00 54.97 54.03 2k4v s GLU 6 Cb -0.09 0.21 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 2k4v s GLU 6 CO 0.01 -0.13 2.13 -1.25 0.95 0.00 0.00 175.26 176.97 2k4v s PRO 7 N -2.04 2.30 0.00 -4.83 0.04 -1.26 -1.83 135.00 127.39 2k4v s PRO 7 Ca -0.10 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2k4v s PRO 7 Cb -0.04 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2k4v s PRO 7 CO -0.02 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2k4v n GLY 8 N 6.13 1.41 3.49 0.56 0.00 -1.26 -5.12 105.19 110.40 2k4v n GLY 8 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.16 -0.59 -0.05 1.61 5.65 -0.76 -2.15 115.29 117.84 2k4v s HIS 9 Ca 0.00 0.80 -0.00 0.00 0.25 0.00 0.00 55.06 56.11 2k4v s HIS 9 Cb 0.00 0.47 0.03 0.00 -1.18 0.00 0.00 32.58 31.89 2k4v s HIS 9 CO 0.00 -0.67 -0.02 -1.17 -0.65 0.00 0.00 174.74 172.23 2k4v s LEU 10 N -1.76 0.99 -0.09 8.88 0.20 0.62 -1.36 118.68 126.16 2k4v s LEU 10 Ca -0.06 -0.09 -0.09 0.00 0.69 0.00 0.00 54.13 54.58 2k4v s LEU 10 Cb -0.00 -0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.32 2k4v s LEU 10 CO 0.01 -0.12 0.22 -2.28 -0.29 0.00 0.00 176.35 173.89 2k4v s HIS 11 N 1.37 3.63 -0.12 5.38 5.65 0.18 -0.63 115.29 130.75 2k4v s HIS 11 Ca -0.04 0.66 -0.01 0.00 0.25 0.00 0.00 55.06 55.91 2k4v s HIS 11 Cb -0.13 -2.04 0.03 0.00 -1.18 0.00 0.00 32.58 29.26 2k4v s HIS 11 CO -0.02 0.71 -0.03 -0.51 -0.65 0.00 0.00 174.74 174.23 2k4v s LEU 12 N -1.02 1.04 0.11 8.88 1.43 -0.29 -1.07 118.68 127.77 2k4v s LEU 12 Ca 0.17 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2k4v s LEU 12 Cb -0.13 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 2k4v s LEU 12 CO 0.07 -0.18 -0.05 -0.69 0.23 0.00 0.00 176.35 175.72 2k4v s VAL 13 N 1.81 0.65 -0.19 -1.59 1.01 -0.74 -1.18 120.40 120.18 2k4v s VAL 13 Ca 0.03 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 59.90 2k4v s VAL 13 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2k4v s VAL 13 CO -0.07 -0.81 0.49 -0.55 0.00 0.00 0.00 175.10 174.16 2k4v s SER 14 N -3.06 6.56 0.28 3.32 0.15 -1.25 -3.24 113.70 116.47 2k4v s SER 14 Ca 0.14 0.67 -0.29 0.00 0.70 0.00 0.00 55.95 57.17 2k4v s SER 14 Cb 0.06 -2.28 -0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2k4v s SER 14 CO -0.03 -0.13 1.24 -1.48 1.20 0.00 0.00 173.24 174.03 2k4v s LEU 15 N 1.39 4.47 0.26 3.45 0.05 -1.26 -4.90 118.68 122.13 2k4v s LEU 15 Ca 0.23 2.48 -0.31 0.00 0.05 0.00 0.00 54.13 56.59 2k4v s LEU 15 Cb -0.15 -3.63 -0.11 0.00 -2.05 0.00 0.00 46.19 40.24 2k4v s LEU 15 CO 0.09 -0.40 1.62 -2.16 -0.55 0.00 0.00 176.35 174.95 2k4v s PRO 16 N -1.27 4.13 0.00 1.48 0.04 -1.26 -2.09 135.00 136.03 2k4v s PRO 16 Ca 0.49 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.09 2k4v s PRO 16 Cb -0.36 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2k4v s PRO 16 CO 0.45 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2k4v n GLY 17 N 2.77 2.29 0.06 0.56 0.00 -1.26 -4.93 105.19 104.67 2k4v n GLY 17 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2k4v n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4v h LEU 18 N 0.00 -0.07 -6.17 0.99 5.85 -1.80 -3.47 115.31 110.64 2k4v h LEU 18 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k4v h LEU 18 Cb 0.00 0.02 -0.24 0.00 0.37 0.00 0.00 40.66 40.81 2k4v h LEU 18 CO 0.00 0.19 -0.35 -0.62 -0.34 0.00 0.00 178.44 177.32 2k4v s ASP 19 N -4.23 -0.79 -1.22 1.25 2.15 -1.25 -4.95 116.67 107.63 2k4v s ASP 19 Ca -0.01 0.61 -0.19 0.00 0.43 0.00 0.00 52.55 53.39 2k4v s ASP 19 Cb 0.00 1.78 0.07 0.00 -0.30 0.00 0.00 42.92 44.47 2k4v s ASP 19 CO 0.04 -0.28 1.64 -1.10 -0.17 0.00 0.00 175.17 175.30 2k4v s GLN 20 N 2.74 3.89 -0.01 4.34 1.11 -1.26 -4.79 119.66 125.69 2k4v s GLN 20 Ca 0.18 -1.81 -0.09 0.00 0.01 0.00 0.00 55.36 53.64 2k4v s GLN 20 Cb -0.15 -5.46 0.01 0.00 -1.01 0.00 0.00 33.01 26.40 2k4v s GLN 20 CO -0.19 -2.21 0.19 -1.14 0.01 0.00 0.00 175.29 171.94 2k4v s GLN 21 N 4.23 0.50 -1.21 2.91 0.74 -1.26 -5.09 119.66 120.48 2k4v s GLN 21 Ca 0.51 -0.26 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 2k4v s GLN 21 Cb 0.02 0.21 0.05 0.00 1.10 0.00 0.00 33.01 34.40 2k4v s GLN 21 CO 0.03 -0.12 1.69 0.34 -0.55 0.00 0.00 175.29 176.68 2k4v s ASP 22 N -1.19 6.55 -0.16 6.67 2.15 -1.26 -4.72 116.67 124.71 2k4v s ASP 22 Ca -0.13 -2.09 -0.03 0.00 0.43 0.00 0.00 52.55 50.73 2k4v s ASP 22 Cb -0.06 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2k4v s ASP 22 CO 0.02 -1.47 -0.04 0.27 -0.17 0.00 0.00 175.17 173.78 2k4v s ILE 23 N 5.19 3.76 -0.17 4.11 -5.25 -1.26 -1.23 121.20 126.34 2k4v s ILE 23 Ca 0.54 -0.40 -0.07 0.00 -0.99 0.00 0.00 60.65 59.73 2k4v s ILE 23 Cb 0.02 -2.65 0.07 0.00 2.95 0.00 0.00 42.46 42.86 2k4v s ILE 23 CO 0.04 0.48 0.38 0.54 -1.79 0.00 0.00 174.94 174.59 2k4v s ASN 24 N 0.54 -0.24 -0.01 4.36 2.20 -1.26 -3.81 114.94 116.73 2k4v s ASN 24 Ca -0.03 0.88 -0.01 0.00 -0.94 0.00 0.00 52.86 52.76 2k4v s ASN 24 Cb -0.14 1.02 0.00 0.00 -2.00 0.00 0.00 41.25 40.13 2k4v s ASN 24 CO 0.03 -0.22 0.02 -0.63 -2.94 0.00 0.00 177.10 173.35 2k4v s ILE 25 N 2.14 0.01 -0.09 0.54 1.01 -0.32 -2.51 121.20 121.97 2k4v s ILE 25 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2k4v s ILE 25 Cb -0.11 -0.05 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2k4v s ILE 25 CO -0.12 -0.03 -0.14 -1.00 0.00 0.00 0.00 174.94 173.66 2k4v s HIS 26 N -0.07 2.76 -0.28 3.97 3.76 0.22 -1.13 115.29 124.51 2k4v s HIS 26 Ca -0.01 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 2k4v s HIS 26 Cb -0.01 -1.75 0.08 0.00 1.11 0.00 0.00 32.58 32.01 2k4v s HIS 26 CO -0.00 -0.04 -0.02 0.42 -0.85 0.00 0.00 174.74 174.25 2k4v s ILE 27 N -0.12 1.81 -0.16 0.60 1.01 0.20 -2.34 121.20 122.20 2k4v s ILE 27 Ca -0.01 -1.67 -0.07 0.00 0.00 0.00 0.00 60.65 58.89 2k4v s ILE 27 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2k4v s ILE 27 CO 0.04 -0.31 0.08 -0.60 0.00 0.00 0.00 174.94 174.15 2k4v s ARG 28 N 1.21 3.82 -0.10 2.79 3.52 -0.23 -0.28 118.95 129.69 2k4v s ARG 28 Ca 0.00 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2k4v s ARG 28 Cb -0.19 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2k4v s ARG 28 CO -0.09 0.41 -0.09 1.52 -0.81 0.00 0.00 175.30 176.24 2k4v s TYR 29 N 0.00 1.47 -0.16 5.12 1.13 -0.92 -1.17 117.35 122.82 2k4v s TYR 29 Ca 0.07 -0.67 -0.00 0.00 -1.41 0.00 0.00 57.07 55.06 2k4v s TYR 29 Cb -0.12 -1.17 0.04 0.00 -1.10 0.00 0.00 41.96 39.61 2k4v s TYR 29 CO 0.01 -0.43 -0.08 -1.21 -2.51 0.00 0.00 175.55 171.33 2k4v s GLU 30 N 1.32 1.73 -0.29 -3.49 2.02 -0.39 -4.67 118.70 114.93 2k4v s GLU 30 Ca -0.02 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 2k4v s GLU 30 Cb -0.14 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.03 2k4v s GLU 30 CO -0.04 -0.38 1.11 0.08 0.02 0.00 0.00 175.26 176.05 2k4v s VAL 31 N 1.56 4.47 0.27 2.63 1.01 -1.26 -0.93 120.40 128.15 2k4v s VAL 31 Ca 0.01 1.72 0.12 0.00 0.00 0.00 0.00 61.98 63.83 2k4v s VAL 31 Cb -0.15 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2k4v s VAL 31 CO -0.08 -0.40 -0.17 -0.60 0.00 0.00 0.00 175.10 173.85 2k4v s ARG 32 N 3.63 1.78 -0.25 2.72 3.52 -0.33 -4.97 118.95 125.05 2k4v s ARG 32 Ca 0.47 -1.69 -0.06 0.00 -0.13 0.00 0.00 55.73 54.32 2k4v s ARG 32 Cb -0.14 -1.85 -0.02 0.00 -1.56 0.00 0.00 34.95 31.39 2k4v s ARG 32 CO 0.15 0.34 0.04 -0.65 -0.81 0.00 0.00 175.30 174.37 2k4v s GLN 33 N -3.47 3.51 0.05 5.12 -1.52 -1.26 -1.42 119.66 120.67 2k4v s GLN 33 Ca 0.30 -0.56 -0.01 0.00 -1.95 0.00 0.00 55.36 53.13 2k4v s GLN 33 Cb -0.05 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 2k4v s GLN 33 CO 0.15 -0.22 0.22 0.54 -0.25 0.00 0.00 175.29 175.73 2k4v s ASN 34 N 1.57 6.38 0.09 5.90 6.03 0.41 -4.99 114.94 130.32 2k4v s ASN 34 Ca 0.06 0.33 0.19 0.00 -1.03 0.00 0.00 52.86 52.41 2k4v s ASN 34 Cb -0.15 -1.99 0.80 0.00 -3.03 0.00 0.00 41.25 36.88 2k4v s ASN 34 CO 0.02 0.19 1.60 0.00 -2.03 0.00 0.00 177.10 176.87 2k4v n ALA 35 N 0.47 1.76 0.01 3.54 0.00 -1.26 -0.91 120.51 124.13 2k4v n ALA 35 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2k4v n ALA 35 Cb 0.52 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2k4v n ALA 35 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4v h GLU 36 N 0.00 -0.14 -0.00 0.00 4.81 -2.00 -3.40 114.58 113.85 2k4v h GLU 36 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k4v h GLU 36 Cb 0.33 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k4v h GLU 36 CO 0.00 0.28 -0.19 0.45 -0.73 0.00 0.00 179.01 178.83 2k4v n SER 37 N -4.84 0.65 0.00 1.04 2.88 -1.24 -5.08 113.62 107.03 2k4v n SER 37 Ca -0.06 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2k4v n SER 37 Cb 0.24 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.90 1.53 3.76 0.46 0.00 -0.08 -4.81 105.19 106.94 2k4v n GLY 38 Ca 0.02 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.22 3.31 0.23 4.61 0.00 -1.26 -0.44 121.76 126.98 2k4v s ALA 39 Ca 0.00 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 2k4v s ALA 39 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2k4v s ALA 39 CO 0.00 -0.20 0.58 1.52 0.00 0.00 0.00 175.76 177.66 2k4v s TYR 40 N -1.30 -0.09 -0.15 0.00 1.13 -0.50 -1.71 117.35 114.73 2k4v s TYR 40 Ca 0.49 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.86 2k4v s TYR 40 Cb -0.30 0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 41.03 2k4v s TYR 40 CO 0.38 -1.02 -0.15 0.08 -2.51 0.00 0.00 175.55 172.33 2k4v s VAL 41 N -3.90 2.76 -0.25 -3.49 1.01 -0.46 -1.18 120.40 114.88 2k4v s VAL 41 Ca 0.11 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2k4v s VAL 41 Cb -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2k4v s VAL 41 CO 0.01 0.52 0.58 -2.28 0.00 0.00 0.00 175.10 173.93 2k4v s HIS 42 N 0.71 3.29 0.00 5.22 5.04 -0.11 -2.08 115.29 127.36 2k4v s HIS 42 Ca -0.07 0.76 0.02 0.00 -1.54 0.00 0.00 55.06 54.23 2k4v s HIS 42 Cb -0.16 -2.78 -0.04 0.00 0.04 0.00 0.00 32.58 29.64 2k4v s HIS 42 CO 0.02 -0.28 0.00 -0.06 -2.34 0.00 0.00 174.74 172.08 2k4v s PHE 43 N 2.33 3.08 -0.07 3.88 0.08 -0.18 -1.27 117.98 125.84 2k4v s PHE 43 Ca 0.24 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.39 2k4v s PHE 43 Cb -0.16 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2k4v s PHE 43 CO 0.09 0.47 -0.12 -0.51 -0.10 0.00 0.00 175.22 175.05 2k4v s ASP 44 N -1.61 1.85 -0.09 1.36 1.01 -0.32 -2.09 116.67 116.79 2k4v s ASP 44 Ca 0.20 -0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.19 2k4v s ASP 44 Cb -0.12 -0.84 0.01 0.00 1.01 0.00 0.00 42.92 42.98 2k4v s ASP 44 CO 0.11 0.01 -0.19 -0.04 0.21 0.00 0.00 175.17 175.28 2k4v s MET 45 N 0.80 2.46 -0.07 8.23 -1.94 -0.10 -1.06 119.30 127.62 2k4v s MET 45 Ca -0.12 -0.67 -0.21 0.00 -1.71 0.00 0.00 55.69 52.98 2k4v s MET 45 Cb -0.15 -1.92 0.05 0.00 2.01 0.00 0.00 34.83 34.81 2k4v s MET 45 CO 0.02 0.09 0.48 0.16 -0.01 0.00 0.00 175.02 175.77 2k4v s ASP 46 N 0.54 -0.43 0.00 3.03 -4.77 -0.99 -0.51 116.67 113.54 2k4v s ASP 46 Ca -0.16 0.53 0.00 0.00 -3.30 0.00 0.00 52.55 49.63 2k4v s ASP 46 Cb -0.17 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.23 2k4v s ASP 46 CO 0.06 -0.43 0.00 0.61 0.70 0.00 0.00 175.17 176.10 2k4v n GLY 47 N 1.54 -0.63 2.90 2.12 0.00 -1.04 -0.61 105.19 109.46 2k4v n GLY 47 Ca -0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.06 0.34 -0.21 1.61 -1.05 -1.04 -1.71 118.70 115.58 2k4v s GLU 48 Ca 0.00 0.45 -0.10 0.00 -0.15 0.00 0.00 54.97 55.18 2k4v s GLU 48 Cb 0.00 -0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 33.12 2k4v s GLU 48 CO 0.00 -0.69 0.13 0.42 0.95 0.00 0.00 175.26 176.07 2k4v s ILE 49 N 2.53 5.26 -1.79 1.83 1.01 -0.73 -3.94 121.20 125.37 2k4v s ILE 49 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2k4v s ILE 49 Cb -0.15 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2k4v s ILE 49 CO -0.17 0.41 0.00 -0.67 0.00 0.00 0.00 174.94 174.50 2k4v n ASP 50 N 3.83 -5.13 0.00 3.58 2.03 -0.37 -1.47 116.55 119.02 2k4v n ASP 50 Ca -0.16 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2k4v n ASP 50 Cb 0.52 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4v n GLY 51 N -0.85 1.24 3.55 0.27 0.00 -1.25 -5.04 105.19 103.11 2k4v n GLY 51 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.32 3.48 0.33 1.61 -0.14 -0.54 -4.95 119.74 119.20 2k4v s LYS 52 Ca 0.00 0.04 -0.28 0.00 -1.36 0.00 0.00 55.97 54.38 2k4v s LYS 52 Cb 0.00 -3.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.12 2k4v s LYS 52 CO 0.00 -1.18 1.11 -1.25 -0.76 0.00 0.00 175.35 173.26 2k4v s PRO 53 N 3.56 4.44 0.01 -1.68 0.04 -1.26 -1.77 135.00 138.34 2k4v s PRO 53 Ca 0.34 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2k4v s PRO 53 Cb -0.11 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2k4v s PRO 53 CO 0.25 0.04 0.01 -0.59 0.04 0.00 0.00 177.00 176.75 2k4v s PHE 54 N -1.31 0.16 -0.09 0.56 -0.71 -0.69 -4.97 117.98 110.92 2k4v s PHE 54 Ca 0.49 -0.33 -0.03 0.00 -1.04 0.00 0.00 56.93 56.03 2k4v s PHE 54 Cb -0.30 -0.12 0.04 0.00 -1.21 0.00 0.00 43.02 41.43 2k4v s PHE 54 CO 0.38 -0.17 0.05 -1.54 -1.34 0.00 0.00 175.22 172.60 2k4v s SER 55 N -1.14 1.69 0.05 1.98 1.04 -1.26 -2.51 113.70 113.55 2k4v s SER 55 Ca -0.12 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.15 2k4v s SER 55 Cb -0.08 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 2k4v s SER 55 CO -0.00 -0.27 -0.15 -0.62 0.98 0.00 0.00 173.24 173.18 2k4v s ASP 56 N 2.10 1.73 -0.06 7.02 2.15 0.33 -5.01 116.67 124.93 2k4v s ASP 56 Ca 0.04 -0.52 -0.02 0.00 0.43 0.00 0.00 52.55 52.48 2k4v s ASP 56 Cb -0.14 -0.09 0.04 0.00 -0.30 0.00 0.00 42.92 42.43 2k4v s ASP 56 CO -0.05 0.01 0.12 -0.44 -0.17 0.00 0.00 175.17 174.63 2k4v s SER 57 N -1.35 -0.03 0.01 -0.34 0.01 -1.26 -0.92 113.70 109.82 2k4v s SER 57 Ca 0.01 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.51 2k4v s SER 57 Cb -0.09 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 2k4v s SER 57 CO 0.02 -0.15 -0.03 0.72 0.41 0.00 0.00 173.24 174.21 2k4v s PHE 58 N 1.20 0.22 -0.05 2.43 -0.71 -0.89 -5.01 117.98 115.17 2k4v s PHE 58 Ca -0.09 -0.20 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 2k4v s PHE 58 Cb -0.12 -0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.55 2k4v s PHE 58 CO -0.05 -0.06 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.40 2k4v s GLU 59 N -0.54 1.84 -0.09 1.99 2.02 -1.26 -1.01 118.70 121.65 2k4v s GLU 59 Ca -0.04 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.40 2k4v s GLU 59 Cb -0.04 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.65 2k4v s GLU 59 CO -0.00 0.18 -0.18 -0.51 0.02 0.00 0.00 175.26 174.77 2k4v s LEU 60 N 0.22 1.86 0.91 1.80 1.43 -0.88 -5.01 118.68 119.00 2k4v s LEU 60 Ca -0.08 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2k4v s LEU 60 Cb -0.13 -1.14 0.14 0.00 0.03 0.00 0.00 46.19 45.09 2k4v s LEU 60 CO 0.03 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.64 2k4v s PRO 61 N 0.61 1.11 0.50 1.29 0.04 -1.26 -1.36 135.00 135.93 2k4v s PRO 61 Ca -0.14 1.28 0.36 0.00 0.04 0.00 0.00 61.00 62.54 2k4v s PRO 61 Cb -0.16 -1.76 1.51 0.00 0.04 0.00 0.00 34.50 34.13 2k4v s PRO 61 CO 0.05 -2.48 1.70 0.07 0.04 0.00 0.00 177.00 176.38 2k4v h ARG 62 N -1.74 0.07 0.00 4.56 0.11 -1.64 0.29 114.38 116.02 2k4v h ARG 62 Ca -0.46 -0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.51 2k4v h ARG 62 Cb 1.27 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 2k4v h ARG 62 CO 0.47 0.05 -0.51 0.22 0.10 0.00 0.00 179.97 180.30 2k4v h ASP 63 N 0.08 0.00 0.00 0.08 3.58 -1.90 -3.28 116.42 114.97 2k4v h ASP 63 Ca 0.72 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.17 2k4v h ASP 63 Cb 2.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.66 2k4v h ASP 63 CO -0.14 0.51 -0.17 0.35 -2.88 0.00 0.00 179.24 176.91 2k4v n THR 64 N -3.88 0.74 -0.19 2.25 -2.24 -0.35 -4.80 114.28 105.80 2k4v n THR 64 Ca -0.01 -0.86 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 2k4v n THR 64 Cb 0.53 0.38 0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.71 0.00 6.98 0.00 -0.55 -2.47 119.26 123.92 2k4v h ALA 65 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k4v h ALA 65 Cb 1.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k4v h ALA 65 CO 0.00 0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.77 2k4v n PHE 66 N -4.50 0.00 1.45 0.00 3.72 -1.26 -1.99 117.46 114.88 2k4v n PHE 66 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 2k4v n PHE 66 Cb 0.17 -0.13 0.50 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.13 1.36 -0.07 4.37 5.03 -0.93 -4.43 115.26 119.46 2k4v n ASN 67 Ca 0.13 -1.54 -0.07 0.00 0.87 0.00 0.00 54.58 53.97 2k4v n ASN 67 Cb 0.11 -0.04 -0.01 0.00 -1.02 0.00 0.00 39.78 38.82 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2k4v h PHE 68 N 1.97 -0.14 -0.49 3.10 -0.00 -1.53 -2.84 116.94 117.00 2k4v h PHE 68 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 57.97 58.14 2k4v h PHE 68 Cb 0.42 0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 36.46 2k4v h PHE 68 CO 0.04 -0.12 0.40 0.00 -0.00 0.00 0.00 178.31 178.64 2k4v h ALA 69 N 1.28 2.36 0.08 12.09 0.00 -1.85 0.28 119.26 133.50 2k4v h ALA 69 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k4v h ALA 69 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k4v h ALA 69 CO -0.29 -0.66 -0.04 0.77 0.00 0.00 0.00 179.25 179.04 2k4v h SER 70 N 0.00 -0.09 0.07 0.00 0.02 -1.84 -3.23 113.55 108.48 2k4v h SER 70 Ca 0.23 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2k4v h SER 70 Cb 1.04 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2k4v h SER 70 CO -0.00 0.47 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.34 2k4v h ASP 71 N -0.70 -0.08 -1.07 3.07 3.58 -1.09 -1.60 116.42 118.53 2k4v h ASP 71 Ca -0.01 -0.53 0.28 0.00 0.42 0.00 0.00 57.03 57.19 2k4v h ASP 71 Cb 0.56 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.53 2k4v h ASP 71 CO 0.02 0.55 0.68 0.00 -2.88 0.00 0.00 179.24 177.61 2k4v h ALA 72 N -0.00 2.28 -0.00 -0.78 0.00 -0.73 0.21 119.26 120.23 2k4v h ALA 72 Ca -0.01 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2k4v h ALA 72 Cb 0.61 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k4v h ALA 72 CO 0.02 -0.71 -0.56 1.15 0.00 0.00 0.00 179.25 179.15 2k4v h THR 73 N 0.36 1.44 -0.59 0.00 2.02 -1.57 -3.01 112.91 111.56 2k4v h THR 73 Ca 0.62 -2.06 0.06 0.00 0.77 0.00 0.00 66.41 65.80 2k4v h THR 73 Cb 1.61 2.61 -0.06 0.00 -1.74 0.00 0.00 68.15 70.57 2k4v h THR 73 CO -0.31 0.60 0.28 -0.09 0.37 0.00 0.00 175.52 176.37 2k4v h ARG 74 N -0.14 0.51 -0.03 6.66 2.43 -0.07 -0.57 114.38 123.17 2k4v h ARG 74 Ca -0.07 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 2k4v h ARG 74 Cb 1.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2k4v h ARG 74 CO 0.11 0.34 -0.67 -0.24 -1.51 0.00 0.00 179.97 178.00 2k4v h VAL 75 N 0.53 1.44 -0.35 0.20 3.04 -1.18 -1.93 116.25 117.99 2k4v h VAL 75 Ca 0.27 -2.19 -0.09 0.00 -1.01 0.00 0.00 66.70 63.69 2k4v h VAL 75 Cb 0.23 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 2k4v h VAL 75 CO -0.21 0.64 -0.12 0.00 -1.01 0.00 0.00 177.57 176.87 2k4v h ALA 76 N 1.22 0.49 0.00 3.17 0.00 -1.19 -2.29 119.26 120.66 2k4v h ALA 76 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2k4v h ALA 76 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k4v h ALA 76 CO 0.10 0.37 -0.54 -0.56 0.00 0.00 0.00 179.25 178.61 2k4v h GLN 77 N 0.49 0.00 0.00 0.00 3.07 -1.17 -2.53 115.11 114.97 2k4v h GLN 77 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.79 2k4v h GLN 77 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 2k4v h GLN 77 CO 0.04 0.54 -0.15 -0.22 0.09 0.00 0.00 178.83 179.14 2k4v h LYS 78 N 0.00 0.00 -0.03 0.06 3.64 -1.24 -2.35 116.57 116.65 2k4v h LYS 78 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k4v h LYS 78 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2k4v h LYS 78 CO 0.07 0.15 0.00 0.72 -2.27 0.00 0.00 179.45 178.12 2k4v n HIS 79 N -3.66 0.02 0.00 1.91 8.25 -0.87 -4.91 115.22 115.97 2k4v n HIS 79 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2k4v n HIS 79 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.10 0.97 3.41 -1.41 0.00 -0.91 -4.71 105.19 103.64 2k4v n GLY 80 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2k4v n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4v s LEU 81 N 0.00 2.52 0.20 0.99 2.01 -1.07 -4.92 118.68 118.42 2k4v s LEU 81 Ca 0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 54.13 53.82 2k4v s LEU 81 Cb 0.00 -1.50 -0.05 0.00 0.01 0.00 0.00 46.19 44.66 2k4v s LEU 81 CO 0.00 0.31 0.42 -1.00 1.01 0.00 0.00 176.35 177.09 2k4v s HIS 82 N -0.54 3.48 -0.12 0.29 3.76 -1.26 -4.61 115.29 116.29 2k4v s HIS 82 Ca 0.07 0.45 0.22 0.00 -0.15 0.00 0.00 55.06 55.66 2k4v s HIS 82 Cb -0.11 -1.94 1.20 0.00 1.11 0.00 0.00 32.58 32.84 2k4v s HIS 82 CO 0.01 0.35 1.66 -1.35 -0.85 0.00 0.00 174.74 174.57 2k4v h PRO 83 N 2.15 0.00 0.00 8.40 0.11 -1.99 -2.06 132.00 138.61 2k4v h PRO 83 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2k4v h PRO 83 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k4v h PRO 83 CO 0.69 0.00 -0.28 0.87 -0.21 0.00 0.00 178.00 179.07 2k4v h LYS 84 N 0.00 0.00 -0.20 1.05 1.79 -2.01 -1.80 116.57 115.39 2k4v h LYS 84 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2k4v h LYS 84 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2k4v h LYS 84 CO 0.00 0.28 0.08 0.35 -1.08 0.00 0.00 179.45 179.08 2k4v h PHE 85 N 0.00 0.27 -0.92 -1.35 3.57 -1.74 -3.47 116.94 113.30 2k4v h PHE 85 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k4v h PHE 85 Cb 0.52 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2k4v h PHE 85 CO 0.00 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 2k4v n GLY 86 N -1.35 0.65 0.00 2.40 0.00 -0.68 -5.03 105.19 101.18 2k4v n GLY 86 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.86 -0.12 0.15 4.61 0.00 -1.26 -4.06 120.51 118.98 2k4v n ALA 87 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2k4v n ALA 87 Cb 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.58 2k4v n ALA 87 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2k4v n ILE 88 N -1.36 0.00 1.60 0.00 3.06 -1.26 -4.39 119.36 117.01 2k4v n ILE 88 Ca 0.00 -0.40 0.15 0.00 -2.50 0.00 0.00 62.75 60.00 2k4v n ILE 88 Cb 0.00 0.19 0.68 0.00 0.54 0.00 0.00 39.64 41.05 2k4v n ILE 88 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2k4v n THR 89 N -2.09 0.00 -3.66 9.51 -2.24 -1.26 -4.66 114.28 109.88 2k4v n THR 89 Ca -0.02 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 2k4v n THR 89 Cb 0.50 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 2k4v n THR 89 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2k4v s ARG 90 N -2.21 3.68 -0.70 -0.78 6.06 -1.26 -4.99 118.95 118.75 2k4v s ARG 90 Ca 0.37 -0.48 -0.26 0.00 -2.50 0.00 0.00 55.73 52.85 2k4v s ARG 90 Cb 0.21 -3.53 -0.03 0.00 0.06 0.00 0.00 34.95 31.66 2k4v s ARG 90 CO 0.41 -0.25 1.89 0.14 -2.50 0.00 0.00 175.30 174.98 2k4v s VAL 91 N 1.67 3.38 -0.38 7.11 -7.23 -1.26 -4.93 120.40 118.76 2k4v s VAL 91 Ca 0.06 0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 59.99 2k4v s VAL 91 Cb -0.16 -3.96 -0.03 0.00 0.56 0.00 0.00 36.38 32.79 2k4v s VAL 91 CO 0.07 -0.92 1.95 -1.00 -0.31 0.00 0.00 175.10 174.89 2k4v s HIS 92 N 9.36 1.59 0.21 2.82 0.09 -1.26 -4.85 115.29 123.26 2k4v s HIS 92 Ca 0.68 0.74 0.12 0.00 -0.00 0.00 0.00 55.06 56.61 2k4v s HIS 92 Cb -0.11 -4.03 0.35 0.00 -0.00 0.00 0.00 32.58 28.80 2k4v s HIS 92 CO 0.14 -2.98 1.60 0.87 -0.00 0.00 0.00 174.74 174.37 2k4v h LYS 93 N 14.36 0.00 -0.14 1.40 1.57 -2.06 -2.66 116.57 129.04 2k4v h LYS 93 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k4v h LYS 93 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2k4v h LYS 93 CO 1.07 0.60 0.00 0.39 -0.57 0.00 0.00 179.45 180.94 2k4v n GLU 94 N -3.67 1.48 -0.30 3.15 1.02 -1.26 -3.78 120.64 117.28 2k4v n GLU 94 Ca -0.01 -0.73 0.01 0.00 -0.02 0.00 0.00 57.16 56.41 2k4v n GLU 94 Cb 0.63 -1.30 0.20 0.00 -0.02 0.00 0.00 31.44 30.94 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2k4v h TYR 95 N 1.38 1.09 -0.27 -0.32 3.20 -1.87 -2.57 116.97 117.61 2k4v h TYR 95 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2k4v h TYR 95 Cb 0.31 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2k4v h TYR 95 CO 0.09 0.65 0.10 -0.44 -1.64 0.00 0.00 178.16 176.93 2k4v h ASP 96 N 1.15 0.33 -0.18 -2.11 5.19 -1.79 0.15 116.42 119.16 2k4v h ASP 96 Ca 0.34 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.63 2k4v h ASP 96 Cb -0.03 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 2k4v h ASP 96 CO -0.09 0.31 -0.26 0.00 -3.12 0.00 0.00 179.24 176.07 2k4v h ALA 97 N 1.75 0.27 -0.76 3.45 0.00 -1.73 -1.46 119.26 120.78 2k4v h ALA 97 Ca 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2k4v h ALA 97 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2k4v h ALA 97 CO -0.01 0.26 0.26 1.98 0.00 0.00 0.00 179.25 181.74 2k4v h MET 98 N 0.14 1.16 -0.05 0.00 -1.53 -1.25 -2.50 114.93 110.91 2k4v h MET 98 Ca 0.02 -0.24 0.01 0.00 -3.44 0.00 0.00 59.70 56.05 2k4v h MET 98 Cb 0.84 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.70 2k4v h MET 98 CO 0.06 0.97 -0.03 0.35 0.14 0.00 0.00 176.91 178.40 2k4v h PHE 99 N 1.12 -0.08 -0.03 1.39 3.57 -0.64 -1.71 116.94 120.56 2k4v h PHE 99 Ca 0.25 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2k4v h PHE 99 Cb 0.28 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2k4v h PHE 99 CO 0.02 -0.05 -0.52 1.05 -2.23 0.00 0.00 178.31 176.58 2k4v h GLU 100 N -0.04 0.08 0.41 1.11 4.11 -1.28 -1.54 114.58 117.43 2k4v h GLU 100 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2k4v h GLU 100 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2k4v h GLU 100 CO -0.07 0.59 -0.22 0.22 0.07 0.00 0.00 179.01 179.60 2k4v h ASP 101 N 0.07 -0.54 -0.59 3.06 1.82 -1.23 -2.53 116.42 116.49 2k4v h ASP 101 Ca -0.00 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 2k4v h ASP 101 Cb 0.95 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 2k4v h ASP 101 CO 0.07 -0.36 0.18 0.40 -1.61 0.00 0.00 179.24 177.92 2k4v h ILE 102 N -0.59 1.24 -0.05 2.25 2.04 -1.17 -0.66 117.51 120.57 2k4v h ILE 102 Ca -0.05 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 64.87 2k4v h ILE 102 Cb 0.46 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2k4v h ILE 102 CO 0.07 0.32 -0.47 0.08 0.00 0.00 0.00 178.15 178.15 2k4v h ARG 103 N 0.92 0.11 -0.03 2.37 -0.00 -1.28 -0.03 114.38 116.45 2k4v h ARG 103 Ca 0.20 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.98 59.99 2k4v h ARG 103 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.26 2k4v h ARG 103 CO -0.01 0.56 -0.51 0.00 -0.00 0.00 0.00 179.97 180.02 2k4v h ALA 104 N 1.43 0.10 -0.74 0.08 0.00 -1.24 -2.93 119.26 115.96 2k4v h ALA 104 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2k4v h ALA 104 Cb 0.88 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2k4v h ALA 104 CO 0.07 0.31 0.48 -0.22 0.00 0.00 0.00 179.25 179.88 2k4v h LYS 105 N -0.12 0.92 -0.19 0.00 1.63 -1.01 0.11 116.57 117.91 2k4v h LYS 105 Ca -0.06 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2k4v h LYS 105 Cb 1.21 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2k4v h LYS 105 CO 0.10 0.61 0.02 -0.07 -3.45 0.00 0.00 179.45 176.67 2k4v h LEU 106 N 0.95 0.24 0.00 5.20 4.07 -1.09 -1.46 115.31 123.23 2k4v h LEU 106 Ca 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2k4v h LEU 106 Cb -0.04 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.64 2k4v h LEU 106 CO -0.09 0.27 -0.07 -0.74 -1.08 0.00 0.00 178.44 176.74 2k4v h HIS 107 N 0.27 0.00 0.00 1.13 2.76 -1.19 -3.46 115.15 114.66 2k4v h HIS 107 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k4v h HIS 107 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 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 -2.10 0.00 -2.45 5.26 0.00 0.30 -4.94 120.51 116.58 2k4v n ALA 108 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 2k4v n ALA 108 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.06 3.65 0.81 0.00 3.76 -1.24 -4.78 115.29 117.42 2k4v s HIS 109 Ca 0.00 0.98 -0.10 0.00 -0.15 0.00 0.00 55.06 55.79 2k4v s HIS 109 Cb 0.00 -2.30 0.08 0.00 1.11 0.00 0.00 32.58 31.47 2k4v s HIS 109 CO 0.00 0.53 1.10 -1.25 -0.85 0.00 0.00 174.74 174.27 2k4v s PRO 110 N -1.63 1.97 -0.38 8.40 0.04 -1.26 -4.69 135.00 137.44 2k4v s PRO 110 Ca 0.32 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.63 2k4v s PRO 110 Cb -0.16 -1.86 0.30 0.00 0.04 0.00 0.00 34.50 32.82 2k4v s PRO 110 CO 0.17 -1.87 1.21 0.41 0.04 0.00 0.00 177.00 176.97 2k4v n GLY 111 N -0.91 -0.90 3.58 0.56 0.00 -1.26 -5.08 105.19 101.18 2k4v n GLY 111 Ca 0.10 0.62 -0.39 0.00 0.00 0.00 0.00 46.02 46.34 2k4v n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 112 N 0.22 3.86 -0.12 1.61 1.03 -1.26 -4.94 118.70 119.09 2k4v s GLU 112 Ca 0.24 -0.21 -0.30 0.00 0.03 0.00 0.00 54.97 54.73 2k4v s GLU 112 Cb 0.26 -3.70 -0.08 0.00 -0.80 0.00 0.00 34.13 29.81 2k4v s GLU 112 CO -0.14 -0.32 2.09 -2.30 -1.33 0.00 0.00 175.26 173.26 2k4v n PRO 113 N 5.25 2.23 -2.35 -4.83 -0.02 -1.26 -4.99 135.00 129.04 2k4v n PRO 113 Ca -0.10 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 2k4v n PRO 113 Cb 0.51 -3.01 -0.04 0.00 -0.02 0.00 0.00 33.50 30.94 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k4v s VAL 114 N 6.32 3.22 -2.00 -1.45 0.11 -1.26 -4.95 120.40 120.39 2k4v s VAL 114 Ca 0.96 1.23 0.21 0.00 -2.93 0.00 0.00 61.98 61.45 2k4v s VAL 114 Cb -0.46 -3.78 0.59 0.00 -1.53 0.00 0.00 36.38 31.20 2k4v s VAL 114 CO 0.41 0.29 1.67 0.47 -3.33 0.00 0.00 175.10 174.62 2k4v n ASP 115 N 1.08 0.00 0.03 3.54 9.92 -1.26 -3.93 116.55 125.93 2k4v n ASP 115 Ca -0.01 -0.91 0.01 0.00 -0.53 0.00 0.00 54.79 53.36 2k4v n ASP 115 Cb 0.44 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 41.27 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 0.00 0.43 -0.37 0.64 8.10 -2.02 -1.31 115.31 120.78 2k4v h LEU 116 Ca 0.00 -0.06 -0.17 0.00 0.11 0.00 0.00 57.88 57.75 2k4v h LEU 116 Cb 0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.11 2k4v h LEU 116 CO 0.00 0.47 -0.48 -0.08 -4.11 0.00 0.00 178.44 174.24 2k4v h GLU 117 N 0.45 0.86 0.00 0.17 4.81 -2.00 -3.18 114.58 115.69 2k4v h GLU 117 Ca 0.10 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2k4v h GLU 117 Cb 0.24 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2k4v h GLU 117 CO 0.00 1.14 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.33 2k4v h ARG 118 N 0.67 0.00 0.00 1.92 1.12 -1.50 -0.60 114.38 116.00 2k4v h ARG 118 Ca 0.03 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.70 2k4v h ARG 118 Cb 1.07 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.03 2k4v h ARG 118 CO 0.11 0.00 -0.88 0.82 -3.11 0.00 0.00 179.97 176.91 2k4v h ILE 119 N 0.00 1.48 0.00 1.20 1.08 -1.43 -3.18 117.51 116.65 2k4v h ILE 119 Ca -0.00 -2.58 -0.16 0.00 -0.39 0.00 0.00 64.86 61.72 2k4v h ILE 119 Cb 0.02 2.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 2k4v h ILE 119 CO 0.00 0.76 -0.91 0.40 -0.69 0.00 0.00 178.15 177.71 2k4v h ILE 120 N 0.13 1.07 -0.49 -0.67 5.03 -1.26 -3.44 117.51 117.88 2k4v h ILE 120 Ca -0.05 -2.60 -0.10 0.00 -0.12 0.00 0.00 64.86 61.99 2k4v h ILE 120 Cb 1.51 2.49 -0.01 0.00 -3.03 0.00 0.00 36.82 37.78 2k4v h ILE 120 CO 0.14 0.61 0.26 -0.13 -0.68 0.00 0.00 178.15 178.34 2k4v s ARG 121 N -2.85 1.87 0.17 2.37 1.81 -0.77 -4.79 118.95 116.77 2k4v s ARG 121 Ca 0.01 0.29 -0.24 0.00 -1.72 0.00 0.00 55.73 54.08 2k4v s ARG 121 Cb 0.09 -4.85 0.07 0.00 -0.45 0.00 0.00 34.95 29.80 2k4v s ARG 121 CO 0.79 -4.13 1.01 -3.38 -0.68 0.00 0.00 175.30 168.91 2k4v s HIS 122 N 13.43 -0.02 -0.23 -0.53 -3.43 -1.26 -5.01 115.29 118.24 2k4v s HIS 122 Ca 0.86 -0.34 -0.06 0.00 -0.80 0.00 0.00 55.06 54.72 2k4v s HIS 122 Cb -0.11 0.67 0.11 0.00 -1.43 0.00 0.00 32.58 31.82 2k4v s HIS 122 CO 0.06 -0.87 0.46 -2.00 -2.00 0.00 0.00 174.74 170.39 2k4v s GLU 123 N -2.66 0.39 0.02 -0.38 2.12 -1.26 -5.03 118.70 111.90 2k4v s GLU 123 Ca 0.17 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2k4v s GLU 123 Cb -0.02 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2k4v s GLU 123 CO 0.04 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 2k4v n GLY 124 N 5.40 -1.98 0.00 -1.50 0.00 -1.26 -5.33 105.19 100.52 2k4v n GLY 124 Ca -0.08 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06