#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr5 s ILE 2 N 0.00 4.93 0.40 5.18 1.01 -1.26 -4.95 121.20 126.50 3hr5 s ILE 2 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 3hr5 s ILE 2 Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3hr5 s ILE 2 CO 0.00 -0.48 1.11 -1.10 0.00 0.00 0.00 174.94 174.47 3hr5 s GLN 3 N 2.57 4.10 -0.24 2.79 -1.52 -1.26 -4.83 119.66 121.27 3hr5 s GLN 3 Ca 0.19 1.68 -0.00 0.00 -1.95 0.00 0.00 55.36 55.28 3hr5 s GLN 3 Cb -0.15 -2.61 0.07 0.00 -0.22 0.00 0.00 33.01 30.09 3hr5 s GLN 3 CO 0.17 -0.24 -0.01 -1.64 -0.25 0.00 0.00 175.29 173.32 3hr5 s MET 4 N -2.38 1.26 -0.28 2.91 -1.94 -1.26 -2.07 119.30 115.54 3hr5 s MET 4 Ca 0.57 -0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 53.62 3hr5 s MET 4 Cb -0.27 -2.43 0.03 0.00 2.01 0.00 0.00 34.83 34.18 3hr5 s MET 4 CO 0.33 -0.67 -0.00 0.99 -0.01 0.00 0.00 175.02 175.66 3hr5 s THR 5 N 1.51 3.18 0.09 2.05 2.01 0.33 -3.87 115.64 120.94 3hr5 s THR 5 Ca -0.02 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 60.80 3hr5 s THR 5 Cb -0.18 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.56 3hr5 s THR 5 CO -0.09 0.04 0.39 -1.58 -0.69 0.00 0.00 174.62 172.69 3hr5 s GLN 6 N 1.34 3.72 -0.05 4.92 0.74 -1.26 -0.14 119.66 128.92 3hr5 s GLN 6 Ca -0.01 0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.48 3hr5 s GLN 6 Cb -0.18 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 30.99 3hr5 s GLN 6 CO -0.01 0.55 0.11 -1.12 -0.55 0.00 0.00 175.29 174.26 3hr5 s SER 7 N -1.89 -0.08 1.02 6.67 0.01 -0.08 -4.51 113.70 114.84 3hr5 s SER 7 Ca 0.34 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 3hr5 s SER 7 Cb -0.13 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.30 3hr5 s SER 7 CO 0.19 -0.10 0.30 -0.81 0.41 0.00 0.00 173.24 173.23 3hr5 n PRO 8 N 3.75 -0.64 0.09 12.44 -0.04 -1.26 -1.22 135.00 148.12 3hr5 n PRO 8 Ca -0.21 -0.47 0.11 0.00 -0.04 0.00 0.00 63.50 62.89 3hr5 n PRO 8 Cb 0.54 -0.34 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 3hr5 n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3hr5 n SER 9 N -3.27 0.78 -3.46 3.54 7.64 -1.26 -4.68 113.62 112.91 3hr5 n SER 9 Ca 0.04 0.30 -0.12 0.00 1.01 0.00 0.00 58.87 60.10 3hr5 n SER 9 Cb 0.14 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 3hr5 n SER 9 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hr5 s SER 10 N -5.30 -0.53 -0.09 6.43 1.04 -1.26 -1.62 113.70 112.37 3hr5 s SER 10 Ca -0.01 0.13 -0.28 0.00 0.48 0.00 0.00 55.95 56.27 3hr5 s SER 10 Cb 0.10 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.82 3hr5 s SER 10 CO 0.80 -0.81 0.65 -1.48 0.98 0.00 0.00 173.24 173.38 3hr5 s LEU 11 N -2.37 -0.54 -0.12 2.42 0.05 -0.24 -4.90 118.68 112.98 3hr5 s LEU 11 Ca -0.00 0.80 -0.03 0.00 0.05 0.00 0.00 54.13 54.94 3hr5 s LEU 11 Cb -0.01 2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 46.50 3hr5 s LEU 11 CO -0.08 -0.53 0.01 -0.44 -0.55 0.00 0.00 176.35 174.77 3hr5 s SER 12 N -0.90 5.26 -0.02 1.48 0.01 -1.26 -0.07 113.70 118.19 3hr5 s SER 12 Ca -0.09 0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.19 3hr5 s SER 12 Cb -0.01 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.58 3hr5 s SER 12 CO 0.08 0.30 0.15 0.00 0.41 0.00 0.00 173.24 174.18 3hr5 s ALA 13 N -0.43 -0.36 0.75 1.44 0.00 -0.62 -4.83 121.76 117.72 3hr5 s ALA 13 Ca 0.08 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3hr5 s ALA 13 Cb -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.01 3hr5 s ALA 13 CO 0.02 -0.16 1.09 -1.12 0.00 0.00 0.00 175.76 175.59 3hr5 s SER 14 N -0.83 4.69 0.27 0.00 0.01 -1.26 0.01 113.70 116.59 3hr5 s SER 14 Ca -0.09 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.66 3hr5 s SER 14 Cb -0.05 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 3hr5 s SER 14 CO 0.01 -1.91 1.63 -0.69 0.41 0.00 0.00 173.24 172.69 3hr5 s VAL 15 N -2.90 2.05 0.00 3.43 1.01 -1.26 -2.34 120.40 120.39 3hr5 s VAL 15 Ca 0.61 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3hr5 s VAL 15 Cb -0.17 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3hr5 s VAL 15 CO 0.55 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3hr5 n GLY 16 N 2.61 1.36 3.77 4.51 0.00 0.28 -4.89 105.19 112.83 3hr5 n GLY 16 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3hr5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hr5 s ASP 17 N -2.98 6.71 0.14 1.61 1.11 -0.99 -4.25 116.67 118.02 3hr5 s ASP 17 Ca 0.00 2.37 -0.30 0.00 0.18 0.00 0.00 52.55 54.80 3hr5 s ASP 17 Cb 0.00 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.30 3hr5 s ASP 17 CO 0.00 -0.54 1.13 -0.60 1.18 0.00 0.00 175.17 176.33 3hr5 s ARG 18 N -2.06 4.54 -0.05 8.23 3.52 -1.23 -0.07 118.95 131.83 3hr5 s ARG 18 Ca 0.53 1.73 0.04 0.00 -0.13 0.00 0.00 55.73 57.90 3hr5 s ARG 18 Cb -0.32 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3hr5 s ARG 18 CO 0.41 -0.03 -0.16 0.08 -0.81 0.00 0.00 175.30 174.79 3hr5 s VAL 19 N 0.14 1.37 -0.09 7.11 1.01 0.26 -4.98 120.40 125.22 3hr5 s VAL 19 Ca 0.52 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3hr5 s VAL 19 Cb -0.29 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3hr5 s VAL 19 CO 0.33 0.40 -0.24 -0.89 0.00 0.00 0.00 175.10 174.71 3hr5 s THR 20 N 0.13 2.13 -0.12 3.92 2.01 -1.26 -0.22 115.64 122.22 3hr5 s THR 20 Ca -0.05 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.95 3hr5 s THR 20 Cb -0.12 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.60 3hr5 s THR 20 CO 0.02 0.56 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.71 3hr5 s ILE 21 N 0.20 1.67 0.08 1.82 1.01 0.96 -4.70 121.20 122.24 3hr5 s ILE 21 Ca -0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hr5 s ILE 21 Cb -0.17 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3hr5 s ILE 21 CO 0.07 0.47 0.25 -0.89 0.00 0.00 0.00 174.94 174.85 3hr5 s THR 22 N 0.98 5.34 -0.09 2.92 2.01 -0.36 0.26 115.64 126.70 3hr5 s THR 22 Ca -0.06 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 3hr5 s THR 22 Cb -0.15 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.76 3hr5 s THR 22 CO -0.03 0.10 0.04 0.00 -0.69 0.00 0.00 174.62 174.05 3hr5 s ARG 24 N 2.07 3.93 -0.06 0.00 3.52 0.80 -1.50 118.95 127.70 3hr5 s ARG 24 Ca 0.04 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.25 3hr5 s ARG 24 Cb -0.13 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3hr5 s ARG 24 CO -0.05 0.32 0.19 0.45 -0.81 0.00 0.00 175.30 175.40 3hr5 s SER 25 N 0.25 6.43 0.21 -2.12 0.15 0.23 -0.52 113.70 118.33 3hr5 s SER 25 Ca 0.04 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.23 3hr5 s SER 25 Cb -0.12 -2.07 0.14 0.00 -1.71 0.00 0.00 66.02 62.26 3hr5 s SER 25 CO 0.00 0.33 1.48 0.77 1.20 0.00 0.00 173.24 177.02 3hr5 h SER 26 N 4.43 0.14 -3.61 5.45 4.64 -1.74 -3.45 113.55 119.42 3hr5 h SER 26 Ca -0.52 -0.10 -0.67 0.00 -0.47 0.00 0.00 61.79 60.03 3hr5 h SER 26 Cb 1.21 -0.04 -0.20 0.00 -0.31 0.00 0.00 62.40 63.05 3hr5 h SER 26 CO 0.63 0.84 -0.85 -1.10 -0.87 0.00 0.00 176.83 175.48 3hr5 s GLN 27 N -3.40 1.44 0.26 4.77 -0.21 -1.26 -5.00 119.66 116.26 3hr5 s GLN 27 Ca -0.02 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 53.63 3hr5 s GLN 27 Cb 0.11 -1.85 -0.13 0.00 1.00 0.00 0.00 33.01 32.14 3hr5 s GLN 27 CO 0.80 0.42 1.39 0.45 -2.12 0.00 0.00 175.29 176.23 3hr5 n SER 28 N 0.63 2.81 -1.24 5.90 2.88 -1.26 -4.75 113.62 118.59 3hr5 n SER 28 Ca -0.16 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 3hr5 n SER 28 Cb 0.54 -1.45 0.29 0.00 -0.75 0.00 0.00 64.21 62.85 3hr5 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hr5 n LEU 29 N 1.88 3.59 -4.62 2.46 4.77 -0.22 -4.90 117.00 119.97 3hr5 n LEU 29 Ca 0.10 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.88 3hr5 n LEU 29 Cb 0.33 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3hr5 n LEU 29 CO 0.63 0.89 1.40 -0.69 -1.33 0.00 0.00 177.39 178.29 3hr5 s VAL 30 N -1.13 3.64 0.84 4.08 1.01 -1.26 -3.44 120.40 124.13 3hr5 s VAL 30 Ca 0.45 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 3hr5 s VAL 30 Cb 0.23 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 33.02 3hr5 s VAL 30 CO 0.31 -0.31 1.10 -2.28 0.00 0.00 0.00 175.10 173.91 3hr5 s HIS 31 N 5.50 2.64 0.46 5.22 2.46 0.17 -4.94 115.29 126.81 3hr5 s HIS 31 Ca 0.73 1.17 0.12 0.00 0.47 0.00 0.00 55.06 57.56 3hr5 s HIS 31 Cb -0.25 -3.15 1.06 0.00 -0.13 0.00 0.00 32.58 30.12 3hr5 s HIS 31 CO 0.30 -2.01 2.08 -0.91 -2.47 0.00 0.00 174.74 171.73 3hr5 h ASN 32 N -1.26 0.26 0.00 9.88 2.35 -1.93 -1.54 115.58 123.33 3hr5 h ASN 32 Ca -0.48 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3hr5 h ASN 32 Cb 1.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3hr5 h ASN 32 CO 0.58 0.18 0.00 -0.46 -1.65 0.00 0.00 177.43 176.08 3hr5 n ASN 33 N -4.49 0.03 0.00 5.81 0.23 -1.26 -4.86 115.26 110.72 3hr5 n ASN 33 Ca 0.02 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 3hr5 n ASN 33 Cb 0.14 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3hr5 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hr5 n ALA 34 N -0.47 0.00 -1.92 -2.53 0.00 -0.58 -5.02 120.51 109.99 3hr5 n ALA 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3hr5 n ALA 34 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3hr5 n ALA 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hr5 s ASN 35 N -3.89 6.69 -0.26 0.00 0.01 -1.26 -4.75 114.94 111.48 3hr5 s ASN 35 Ca 0.00 1.50 -0.00 0.00 -0.71 0.00 0.00 52.86 53.65 3hr5 s ASN 35 Cb 0.00 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 39.23 3hr5 s ASN 35 CO 0.00 -0.48 -0.06 0.42 -1.51 0.00 0.00 177.10 175.47 3hr5 s THR 36 N -2.43 2.68 -1.29 1.60 -4.23 -1.26 0.46 115.64 111.16 3hr5 s THR 36 Ca 0.58 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.71 3hr5 s THR 36 Cb -0.10 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.45 3hr5 s THR 36 CO 0.26 0.07 1.92 -1.22 -0.54 0.00 0.00 174.62 175.10 3hr5 n TYR 37 N 4.59 2.93 -4.63 3.99 4.02 -1.22 -4.21 117.16 122.63 3hr5 n TYR 37 Ca -0.15 -2.79 -0.33 0.00 -0.01 0.00 0.00 57.90 54.62 3hr5 n TYR 37 Cb 0.45 -1.97 -0.15 0.00 -0.02 0.00 0.00 39.34 37.65 3hr5 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3hr5 s LEU 38 N -0.13 2.57 0.20 7.72 2.96 -1.26 -1.18 118.68 129.55 3hr5 s LEU 38 Ca 0.40 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3hr5 s LEU 38 Cb 0.10 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 3hr5 s LEU 38 CO -0.00 0.11 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.07 3hr5 s HIS 39 N 0.64 1.50 -0.06 5.38 3.76 -0.32 -0.03 115.29 126.17 3hr5 s HIS 39 Ca -0.08 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.11 3hr5 s HIS 39 Cb -0.16 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.73 3hr5 s HIS 39 CO 0.02 0.10 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.22 3hr5 s TRP 40 N -3.28 2.17 0.07 1.40 0.52 0.22 -1.43 118.94 118.62 3hr5 s TRP 40 Ca 0.23 -0.67 0.09 0.00 0.02 0.00 0.00 56.10 55.77 3hr5 s TRP 40 Cb 0.03 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 3hr5 s TRP 40 CO 0.05 -0.22 -0.23 0.71 0.02 0.00 0.00 176.95 177.29 3hr5 s TYR 41 N -0.04 2.43 -0.17 -1.98 2.02 0.28 -0.70 117.35 119.18 3hr5 s TYR 41 Ca -0.05 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3hr5 s TYR 41 Cb -0.13 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3hr5 s TYR 41 CO 0.04 0.24 -0.08 -1.14 -1.57 0.00 0.00 175.55 173.04 3hr5 s GLN 42 N -1.57 3.45 -0.17 -0.62 0.74 -0.12 -1.49 119.66 119.90 3hr5 s GLN 42 Ca 0.14 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.94 3hr5 s GLN 42 Cb -0.10 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.19 3hr5 s GLN 42 CO 0.05 0.07 -0.20 -1.14 -0.55 0.00 0.00 175.29 173.52 3hr5 s GLN 43 N 0.76 2.94 0.24 1.67 0.74 0.30 -0.41 119.66 125.90 3hr5 s GLN 43 Ca -0.03 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.58 3hr5 s GLN 43 Cb -0.15 -2.50 -0.04 0.00 1.10 0.00 0.00 33.01 31.42 3hr5 s GLN 43 CO 0.02 -0.17 0.41 0.15 -0.55 0.00 0.00 175.29 175.15 3hr5 s LYS 44 N 1.20 3.49 -0.09 1.67 1.02 -1.26 -1.32 119.74 124.45 3hr5 s LYS 44 Ca 0.02 -0.45 -0.38 0.00 0.02 0.00 0.00 55.97 55.18 3hr5 s LYS 44 Cb -0.14 -2.82 -0.16 0.00 -0.52 0.00 0.00 37.83 34.20 3hr5 s LYS 44 CO -0.10 0.36 1.58 -2.30 -0.92 0.00 0.00 175.35 173.97 3hr5 n PRO 45 N -1.08 1.30 -1.23 -1.68 -0.02 -1.26 -2.02 135.00 129.02 3hr5 n PRO 45 Ca -0.06 0.47 -0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3hr5 n PRO 45 Cb 0.55 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3hr5 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hr5 n GLY 46 N 3.48 0.89 3.46 -1.23 0.00 -1.26 -5.00 105.19 105.53 3hr5 n GLY 46 Ca 0.22 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3hr5 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hr5 s LYS 47 N -2.37 1.62 0.52 1.61 -0.14 -0.86 -5.14 119.74 114.98 3hr5 s LYS 47 Ca 0.00 -1.79 -0.19 0.00 -1.36 0.00 0.00 55.97 52.64 3hr5 s LYS 47 Cb 0.00 -1.48 -0.07 0.00 -1.68 0.00 0.00 37.83 34.60 3hr5 s LYS 47 CO 0.00 0.18 1.04 0.00 -0.76 0.00 0.00 175.35 175.81 3hr5 s ALA 48 N -2.74 2.84 0.52 5.17 0.00 -1.26 -4.61 121.76 121.67 3hr5 s ALA 48 Ca 0.29 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 3hr5 s ALA 48 Cb -0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3hr5 s ALA 48 CO 0.13 -0.45 0.99 -2.30 0.00 0.00 0.00 175.76 174.12 3hr5 n PRO 49 N -1.32 1.14 -5.16 0.00 -0.02 -1.26 -4.62 135.00 123.76 3hr5 n PRO 49 Ca 0.09 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 3hr5 n PRO 49 Cb 0.53 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 3hr5 n PRO 49 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hr5 s LYS 50 N -2.41 2.09 0.05 -0.52 1.02 0.45 -4.95 119.74 115.46 3hr5 s LYS 50 Ca 0.69 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 55.55 3hr5 s LYS 50 Cb -0.47 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3hr5 s LYS 50 CO 0.52 0.44 1.35 -1.17 -0.92 0.00 0.00 175.35 175.56 3hr5 s LEU 51 N -0.36 4.34 -0.11 3.17 2.96 -1.26 -0.94 118.68 126.48 3hr5 s LEU 51 Ca 0.04 2.15 -0.12 0.00 -0.22 0.00 0.00 54.13 55.98 3hr5 s LEU 51 Cb -0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3hr5 s LEU 51 CO 0.01 -0.64 -0.22 0.18 -1.32 0.00 0.00 176.35 174.35 3hr5 n LEU 52 N 4.60 1.32 -4.26 -0.68 4.77 0.12 -4.69 117.00 118.18 3hr5 n LEU 52 Ca 0.12 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 56.02 3hr5 n LEU 52 Cb 0.44 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.74 3hr5 n LEU 52 CO 0.58 -0.37 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.09 3hr5 s ILE 53 N -2.29 1.85 0.08 -0.08 -1.09 -1.12 -0.33 121.20 118.21 3hr5 s ILE 53 Ca -0.19 -0.99 0.05 0.00 -2.23 0.00 0.00 60.65 57.29 3hr5 s ILE 53 Cb 0.03 -1.54 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 3hr5 s ILE 53 CO 0.27 0.52 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.66 3hr5 s TYR 54 N -0.47 1.19 -1.21 3.97 1.13 0.97 -0.61 117.35 122.31 3hr5 s TYR 54 Ca 0.07 -0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 54.99 3hr5 s TYR 54 Cb -0.10 -0.66 0.01 0.00 -1.10 0.00 0.00 41.96 40.11 3hr5 s TYR 54 CO -0.00 0.06 0.69 1.63 -2.51 0.00 0.00 175.55 175.41 3hr5 n LYS 55 N 1.03 -1.12 0.00 -3.49 5.02 -0.97 -1.75 118.16 116.88 3hr5 n LYS 55 Ca -0.19 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hr5 n LYS 55 Cb 0.55 -3.62 0.00 0.00 -0.02 0.00 0.00 35.03 31.94 3hr5 n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hr5 n VAL 56 N -4.52 0.00 -0.88 -0.18 0.31 0.96 -3.98 118.33 110.04 3hr5 n VAL 56 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3hr5 n VAL 56 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3hr5 n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hr5 n SER 57 N 2.40 0.23 -4.63 4.52 3.41 -1.22 -3.63 113.62 114.70 3hr5 n SER 57 Ca 0.00 -1.10 -0.38 0.00 -0.26 0.00 0.00 58.87 57.12 3hr5 n SER 57 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3hr5 n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3hr5 s ASN 58 N -0.10 6.25 0.10 4.04 0.01 -0.72 -4.63 114.94 119.89 3hr5 s ASN 58 Ca 0.00 0.29 -0.31 0.00 -0.71 0.00 0.00 52.86 52.13 3hr5 s ASN 58 Cb 0.00 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.39 3hr5 s ASN 58 CO 0.00 -0.11 1.48 -0.60 -1.51 0.00 0.00 177.10 176.36 3hr5 s ARG 59 N 1.73 4.27 0.77 -0.60 3.52 -1.26 -0.02 118.95 127.35 3hr5 s ARG 59 Ca 0.14 2.17 -0.11 0.00 -0.13 0.00 0.00 55.73 57.81 3hr5 s ARG 59 Cb -0.15 -3.35 0.06 0.00 -1.56 0.00 0.00 34.95 29.95 3hr5 s ARG 59 CO 0.09 -0.56 1.09 0.12 -0.81 0.00 0.00 175.30 175.23 3hr5 s PHE 60 N 1.63 2.64 -0.39 5.12 5.99 0.55 -4.90 117.98 128.61 3hr5 s PHE 60 Ca 0.68 1.51 -0.42 0.00 0.00 0.00 0.00 56.93 58.70 3hr5 s PHE 60 Cb -0.38 -3.03 -0.17 0.00 0.00 0.00 0.00 43.02 39.44 3hr5 s PHE 60 CO 0.30 -1.76 1.88 0.43 -0.00 0.00 0.00 175.22 176.07 3hr5 n SER 61 N -3.50 1.72 0.00 6.13 7.64 -1.26 -2.27 113.62 122.09 3hr5 n SER 61 Ca 0.09 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.86 3hr5 n SER 61 Cb 0.53 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3hr5 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hr5 n GLY 62 N 5.30 0.78 3.72 0.23 0.00 -1.26 -5.03 105.19 108.92 3hr5 n GLY 62 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3hr5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr5 s VAL 63 N -2.92 4.39 0.84 1.61 1.01 -0.96 -5.01 120.40 119.35 3hr5 s VAL 63 Ca 0.00 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 3hr5 s VAL 63 Cb 0.00 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3hr5 s VAL 63 CO 0.00 0.18 0.61 -2.65 0.00 0.00 0.00 175.10 173.24 3hr5 n PRO 64 N 3.57 0.03 0.20 2.72 -0.02 -1.26 -4.90 135.00 135.33 3hr5 n PRO 64 Ca 0.06 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3hr5 n PRO 64 Cb 0.48 -1.96 0.36 0.00 -0.02 0.00 0.00 33.50 32.36 3hr5 n PRO 64 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hr5 h SER 65 N -0.98 0.00 0.42 2.55 4.64 -2.01 -3.14 113.55 115.03 3hr5 h SER 65 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hr5 h SER 65 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hr5 h SER 65 CO 0.40 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.25 3hr5 n ARG 66 N -2.82 0.12 -3.40 4.77 1.85 -1.26 -4.57 116.66 111.35 3hr5 n ARG 66 Ca 0.04 0.46 -0.37 0.00 -1.00 0.00 0.00 57.85 56.97 3hr5 n ARG 66 Cb 0.43 -1.79 -0.07 0.00 -1.05 0.00 0.00 32.46 29.99 3hr5 n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hr5 s PHE 67 N -3.29 3.46 0.04 2.89 0.08 -1.19 -0.94 117.98 119.04 3hr5 s PHE 67 Ca 0.03 0.72 -0.09 0.00 0.12 0.00 0.00 56.93 57.71 3hr5 s PHE 67 Cb 0.07 -2.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3hr5 s PHE 67 CO 0.28 0.14 0.18 -1.54 -0.10 0.00 0.00 175.22 174.17 3hr5 s SER 68 N 0.70 0.07 -0.03 1.36 1.04 -0.56 -4.94 113.70 111.33 3hr5 s SER 68 Ca 0.21 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3hr5 s SER 68 Cb -0.14 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3hr5 s SER 68 CO 0.08 -0.57 -0.20 -0.83 0.98 0.00 0.00 173.24 172.70 3hr5 s GLY 69 N -2.17 1.02 0.43 7.32 0.00 -1.26 -0.37 107.32 112.30 3hr5 s GLY 69 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.87 3hr5 s GLY 69 CO -0.05 -0.58 0.09 -0.56 0.00 0.00 0.00 173.10 172.00 3hr5 s SER 70 N -0.24 3.16 0.00 1.64 0.01 0.97 -4.19 113.70 115.05 3hr5 s SER 70 Ca 0.02 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.62 3hr5 s SER 70 Cb -0.10 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.60 3hr5 s SER 70 CO 0.01 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.38 3hr5 n GLY 71 N -1.00 1.13 3.60 3.44 0.00 -1.26 -1.33 105.19 109.77 3hr5 n GLY 71 Ca -0.09 -2.29 -0.08 0.00 0.00 0.00 0.00 46.02 43.56 3hr5 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hr5 s SER 72 N 0.00 -0.27 0.00 1.61 1.04 -0.56 -4.95 113.70 110.56 3hr5 s SER 72 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3hr5 s SER 72 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3hr5 s SER 72 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3hr5 n GLY 73 N 0.80 1.00 0.00 7.32 0.00 -1.26 -2.46 105.19 110.58 3hr5 n GLY 73 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hr5 n GLY 73 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hr5 n THR 74 N 0.00 0.00 -4.03 2.61 5.66 -1.26 -1.06 114.28 116.20 3hr5 n THR 74 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 3hr5 n THR 74 Cb 0.00 0.37 -0.16 0.00 -1.55 0.00 0.00 70.33 68.98 3hr5 n THR 74 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3hr5 s ASP 75 N -1.63 2.91 0.13 1.09 1.01 -1.03 -0.60 116.67 118.55 3hr5 s ASP 75 Ca 0.00 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.72 3hr5 s ASP 75 Cb 0.00 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 3hr5 s ASP 75 CO 0.00 -0.06 -0.13 -0.36 0.21 0.00 0.00 175.17 174.83 3hr5 s PHE 76 N 1.43 1.34 -0.01 4.23 0.40 -0.56 -1.50 117.98 123.30 3hr5 s PHE 76 Ca 0.04 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3hr5 s PHE 76 Cb -0.14 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.71 3hr5 s PHE 76 CO -0.11 0.12 0.00 0.99 0.70 0.00 0.00 175.22 176.93 3hr5 s THR 77 N -2.42 0.06 -0.18 0.64 2.01 -0.44 -0.46 115.64 114.84 3hr5 s THR 77 Ca 0.10 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 3hr5 s THR 77 Cb -0.03 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 3hr5 s THR 77 CO 0.02 0.07 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.75 3hr5 s LEU 78 N 0.52 3.03 -0.08 4.42 2.96 0.14 -0.02 118.68 129.65 3hr5 s LEU 78 Ca -0.05 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3hr5 s LEU 78 Cb -0.07 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hr5 s LEU 78 CO -0.01 0.09 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 3hr5 s THR 79 N 0.81 2.54 -0.30 3.68 2.01 0.51 -0.03 115.64 124.87 3hr5 s THR 79 Ca -0.02 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3hr5 s THR 79 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.39 3hr5 s THR 79 CO 0.02 0.56 0.07 -0.63 -0.69 0.00 0.00 174.62 173.94 3hr5 s ILE 80 N -0.09 3.79 0.16 1.82 1.01 0.69 -1.49 121.20 127.08 3hr5 s ILE 80 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3hr5 s ILE 80 Cb -0.14 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 3hr5 s ILE 80 CO 0.04 0.05 1.47 0.77 0.00 0.00 0.00 174.94 177.27 3hr5 h SER 81 N 8.20 0.83 -2.47 3.58 4.64 -1.32 0.75 113.55 127.76 3hr5 h SER 81 Ca -0.30 -0.43 -0.45 0.00 -0.47 0.00 0.00 61.79 60.14 3hr5 h SER 81 Cb 1.12 -0.24 -0.37 0.00 -0.31 0.00 0.00 62.40 62.60 3hr5 h SER 81 CO 0.60 1.19 -0.73 -0.55 -0.87 0.00 0.00 176.83 176.47 3hr5 s SER 82 N -6.92 2.61 0.25 4.97 0.15 -1.26 -3.50 113.70 110.00 3hr5 s SER 82 Ca -0.09 -1.23 -0.31 0.00 0.70 0.00 0.00 55.95 55.02 3hr5 s SER 82 Cb 0.11 0.03 -0.11 0.00 -1.71 0.00 0.00 66.02 64.33 3hr5 s SER 82 CO 0.87 -0.39 1.59 -0.22 1.20 0.00 0.00 173.24 176.28 3hr5 s LEU 83 N 2.02 4.36 0.11 3.45 2.96 0.90 -4.64 118.68 127.84 3hr5 s LEU 83 Ca 0.11 2.82 0.07 0.00 -0.22 0.00 0.00 54.13 56.91 3hr5 s LEU 83 Cb -0.16 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 3hr5 s LEU 83 CO -0.28 -0.87 -0.08 -1.10 -1.32 0.00 0.00 176.35 172.69 3hr5 s GLN 84 N 0.15 2.18 0.45 1.98 -1.52 -1.26 0.10 119.66 121.73 3hr5 s GLN 84 Ca 0.66 -1.03 0.23 0.00 -1.95 0.00 0.00 55.36 53.27 3hr5 s GLN 84 Cb -0.46 -2.32 1.23 0.00 -0.22 0.00 0.00 33.01 31.24 3hr5 s GLN 84 CO 0.41 0.50 1.81 -1.35 -0.25 0.00 0.00 175.29 176.41 3hr5 h PRO 85 N 3.48 0.27 -0.00 2.91 0.11 -1.91 0.54 132.00 137.40 3hr5 h PRO 85 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hr5 h PRO 85 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hr5 h PRO 85 CO 0.53 0.18 -0.01 -0.85 -0.21 0.00 0.00 178.00 177.64 3hr5 n GLU 86 N -4.48 0.94 -0.00 1.05 0.00 -1.11 -3.09 120.64 113.95 3hr5 n GLU 86 Ca 0.23 -0.14 0.14 0.00 0.00 0.00 0.00 57.16 57.40 3hr5 n GLU 86 Cb 0.93 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 31.49 3hr5 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hr5 n ASP 87 N -0.91 1.14 -4.67 -1.84 8.00 0.18 -4.83 116.55 113.62 3hr5 n ASP 87 Ca 0.21 -1.39 -0.47 0.00 0.71 0.00 0.00 54.79 53.85 3hr5 n ASP 87 Cb 0.18 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3hr5 n ASP 87 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hr5 n PHE 88 N -0.10 2.32 0.00 1.24 -0.00 -1.18 -4.87 117.46 114.87 3hr5 n PHE 88 Ca 0.20 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 3hr5 n PHE 88 Cb 0.29 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.17 3hr5 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hr5 n ALA 89 N 4.90 0.00 -2.91 3.13 0.00 -1.15 -4.85 120.51 119.62 3hr5 n ALA 89 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 3hr5 n ALA 89 Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 3hr5 n ALA 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hr5 s THR 90 N -2.00 4.36 -0.11 0.00 2.01 -0.43 -1.12 115.64 118.35 3hr5 s THR 90 Ca 0.00 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3hr5 s THR 90 Cb 0.00 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 3hr5 s THR 90 CO 0.00 0.46 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.06 3hr5 s TYR 91 N 0.56 3.09 0.01 4.92 1.51 -0.00 -0.54 117.35 126.90 3hr5 s TYR 91 Ca 0.01 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 3hr5 s TYR 91 Cb -0.13 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3hr5 s TYR 91 CO 0.02 0.29 -0.19 0.71 -1.11 0.00 0.00 175.55 175.27 3hr5 s TYR 92 N -0.46 1.67 0.13 2.71 1.51 -0.55 0.21 117.35 122.56 3hr5 s TYR 92 Ca 0.08 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3hr5 s TYR 92 Cb -0.12 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 3hr5 s TYR 92 CO 0.02 0.01 0.32 0.00 -1.11 0.00 0.00 175.55 174.79 3hr5 s SER 94 N -2.67 -0.08 -0.07 0.00 1.04 -0.51 0.53 113.70 111.94 3hr5 s SER 94 Ca 0.38 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.84 3hr5 s SER 94 Cb -0.12 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 3hr5 s SER 94 CO 0.27 -0.32 -0.14 0.00 0.98 0.00 0.00 173.24 174.03 3hr5 s GLN 95 N -1.03 2.73 0.00 4.02 1.03 -0.28 -1.17 119.66 124.95 3hr5 s GLN 95 Ca -0.11 -0.69 0.05 0.00 0.04 0.00 0.00 55.36 54.65 3hr5 s GLN 95 Cb -0.06 -2.44 0.01 0.00 0.03 0.00 0.00 33.01 30.55 3hr5 s GLN 95 CO 0.02 0.52 0.50 0.09 -2.54 0.00 0.00 175.29 173.88 3hr5 n ASN 96 N 2.61 0.99 0.16 12.60 3.02 -0.33 -3.03 115.26 131.29 3hr5 n ASN 96 Ca -0.17 -1.00 0.03 0.00 -0.03 0.00 0.00 54.58 53.41 3hr5 n ASN 96 Cb 0.52 0.37 0.18 0.00 -0.61 0.00 0.00 39.78 40.25 3hr5 n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hr5 h THR 97 N 0.67 0.97 -3.52 3.41 1.03 -1.87 -3.45 112.91 110.14 3hr5 h THR 97 Ca 0.00 -1.96 -0.44 0.00 -0.01 0.00 0.00 66.41 64.00 3hr5 h THR 97 Cb 0.18 2.20 -0.18 0.00 -1.07 0.00 0.00 68.15 69.28 3hr5 h THR 97 CO 0.00 0.47 -0.76 -0.76 -0.01 0.00 0.00 175.52 174.46 3hr5 s LEU 98 N -6.83 2.41 -0.19 0.00 1.02 -1.26 -4.88 118.68 108.95 3hr5 s LEU 98 Ca 0.02 -0.82 -0.07 0.00 0.02 0.00 0.00 54.13 53.27 3hr5 s LEU 98 Cb 0.10 -0.62 -0.04 0.00 0.02 0.00 0.00 46.19 45.65 3hr5 s LEU 98 CO 0.72 -0.12 0.06 -0.69 0.02 0.00 0.00 176.35 176.34 3hr5 s VAL 99 N -2.11 4.74 0.44 -1.59 1.01 -1.26 -3.25 120.40 118.37 3hr5 s VAL 99 Ca 0.10 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3hr5 s VAL 99 Cb -0.05 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 3hr5 s VAL 99 CO 0.04 0.45 1.07 -2.16 0.00 0.00 0.00 175.10 174.50 3hr5 s PRO 100 N 0.46 3.95 0.33 2.72 0.04 -1.26 -4.87 135.00 136.36 3hr5 s PRO 100 Ca 0.03 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 3hr5 s PRO 100 Cb -0.13 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 3hr5 s PRO 100 CO 0.01 -0.33 1.28 -1.58 0.04 0.00 0.00 177.00 176.41 3hr5 s TRP 101 N -1.73 3.12 0.07 0.56 0.51 -1.20 -4.78 118.94 115.49 3hr5 s TRP 101 Ca 0.62 1.46 0.04 0.00 -2.12 0.00 0.00 56.10 56.10 3hr5 s TRP 101 Cb -0.22 -3.62 -0.03 0.00 -0.81 0.00 0.00 33.47 28.79 3hr5 s TRP 101 CO 0.27 -1.66 -0.12 0.95 -0.51 0.00 0.00 176.95 175.88 3hr5 s THR 102 N -1.15 0.91 0.18 2.01 -4.23 -1.17 -5.02 115.64 107.18 3hr5 s THR 102 Ca 0.48 -1.28 0.10 0.00 -1.18 0.00 0.00 61.69 59.81 3hr5 s THR 102 Cb -0.39 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 3hr5 s THR 102 CO 0.51 -0.32 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.77 3hr5 s PHE 103 N -1.47 2.53 1.11 3.99 0.08 -1.26 -1.13 117.98 121.83 3hr5 s PHE 103 Ca -0.03 -0.26 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 3hr5 s PHE 103 Cb -0.09 -1.24 0.28 0.00 -0.57 0.00 0.00 43.02 41.39 3hr5 s PHE 103 CO 0.01 0.51 0.99 0.41 -0.10 0.00 0.00 175.22 177.04 3hr5 n GLY 104 N 0.11 -2.74 0.01 4.36 0.00 0.19 -4.54 105.19 102.57 3hr5 n GLY 104 Ca -0.11 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.55 3hr5 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr5 n GLN 105 N -4.53 0.05 0.00 1.61 0.00 -1.25 -4.82 117.38 108.44 3hr5 n GLN 105 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.16 3hr5 n GLN 105 Cb 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.23 3hr5 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hr5 n GLY 106 N 1.47 1.41 2.93 2.61 0.00 -1.26 -5.04 105.19 107.30 3hr5 n GLY 106 Ca 0.06 -1.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 3hr5 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr5 s THR 107 N -1.89 1.21 -0.39 2.61 2.01 0.13 -4.72 115.64 114.60 3hr5 s THR 107 Ca 0.00 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 3hr5 s THR 107 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hr5 s THR 107 CO 0.00 0.25 0.61 -0.75 -0.69 0.00 0.00 174.62 174.04 3hr5 s LYS 108 N 1.61 3.48 -0.32 4.92 2.20 -0.64 -0.82 119.74 130.16 3hr5 s LYS 108 Ca 0.02 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.28 3hr5 s LYS 108 Cb -0.14 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 3hr5 s LYS 108 CO -0.08 -0.84 0.44 0.08 -0.36 0.00 0.00 175.35 174.59 3hr5 s VAL 109 N 2.69 5.09 0.03 4.02 1.01 -0.27 -1.08 120.40 131.89 3hr5 s VAL 109 Ca 0.22 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.57 3hr5 s VAL 109 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3hr5 s VAL 109 CO 0.16 -0.08 0.05 -0.70 0.00 0.00 0.00 175.10 174.53 3hr5 s GLU 110 N 2.22 2.88 -0.24 2.72 2.12 0.89 -2.94 118.70 126.35 3hr5 s GLU 110 Ca 0.16 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 3hr5 s GLU 110 Cb -0.16 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3hr5 s GLU 110 CO 0.12 0.60 0.47 0.42 -0.54 0.00 0.00 175.26 176.33 3hr5 s ILE 111 N -1.24 5.12 0.37 -3.70 1.09 -1.26 -1.59 121.20 119.98 3hr5 s ILE 111 Ca 0.24 0.80 -0.22 0.00 -1.10 0.00 0.00 60.65 60.37 3hr5 s ILE 111 Cb -0.12 -3.79 -0.10 0.00 -1.06 0.00 0.00 42.46 37.39 3hr5 s ILE 111 CO 0.16 0.14 0.91 -0.75 -0.10 0.00 0.00 174.94 175.30 3hr5 s LYS 112 N 1.99 4.33 0.20 2.79 2.20 0.10 -4.83 119.74 126.52 3hr5 s LYS 112 Ca 0.20 1.12 -0.22 0.00 -0.36 0.00 0.00 55.97 56.71 3hr5 s LYS 112 Cb -0.15 -2.47 0.05 0.00 -1.51 0.00 0.00 37.83 33.75 3hr5 s LYS 112 CO 0.09 0.13 0.63 0.50 -0.36 0.00 0.00 175.35 176.34 3hr5 s ARG 113 N -2.68 1.44 0.53 4.03 3.52 -1.26 -3.97 118.95 120.56 3hr5 s ARG 113 Ca 0.56 -0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 55.30 3hr5 s ARG 113 Cb -0.13 0.59 -0.05 0.00 -1.56 0.00 0.00 34.95 33.80 3hr5 s ARG 113 CO 0.18 -0.64 1.19 0.95 -0.81 0.00 0.00 175.30 176.17 3hr5 s THR 114 N -3.81 2.85 0.04 4.11 -4.23 -1.26 -4.94 115.64 108.40 3hr5 s THR 114 Ca 0.04 0.57 -0.34 0.00 -1.18 0.00 0.00 61.69 60.78 3hr5 s THR 114 Cb -0.03 -3.26 -0.13 0.00 1.34 0.00 0.00 72.50 70.43 3hr5 s THR 114 CO -0.06 -0.07 1.70 0.52 -0.54 0.00 0.00 174.62 176.16 3hr5 n VAL 115 N -1.11 0.25 -3.99 2.29 0.31 -1.26 -4.74 118.33 110.08 3hr5 n VAL 115 Ca 0.11 -0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 3hr5 n VAL 115 Cb 0.49 -1.63 -0.17 0.00 -0.91 0.00 0.00 33.84 31.62 3hr5 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hr5 s ALA 116 N 2.28 1.66 0.38 3.52 0.00 0.56 -4.93 121.76 125.24 3hr5 s ALA 116 Ca 0.85 -0.77 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 3hr5 s ALA 116 Cb -0.71 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 3hr5 s ALA 116 CO 0.45 -0.38 1.22 0.00 0.00 0.00 0.00 175.76 177.05 3hr5 s ALA 117 N 1.55 3.25 0.55 0.00 0.00 -1.26 -1.24 121.76 124.60 3hr5 s ALA 117 Ca 0.05 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 3hr5 s ALA 117 Cb -0.13 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3hr5 s ALA 117 CO -0.10 -0.61 1.06 -1.25 0.00 0.00 0.00 175.76 174.86 3hr5 s PRO 118 N -2.15 3.50 -0.10 0.00 0.04 -1.26 -4.67 135.00 130.36 3hr5 s PRO 118 Ca 0.55 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 3hr5 s PRO 118 Cb -0.34 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3hr5 s PRO 118 CO 0.44 -0.67 0.57 -1.12 0.04 0.00 0.00 177.00 176.25 3hr5 s SER 119 N -2.37 6.81 -0.07 6.66 0.01 -0.63 -4.83 113.70 119.28 3hr5 s SER 119 Ca 0.66 0.97 0.01 0.00 1.31 0.00 0.00 55.95 58.89 3hr5 s SER 119 Cb -0.17 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 3hr5 s SER 119 CO 0.29 -0.05 -0.07 -0.69 0.41 0.00 0.00 173.24 173.14 3hr5 s VAL 120 N 0.69 3.69 -0.04 3.43 1.01 -1.25 0.39 120.40 128.32 3hr5 s VAL 120 Ca 0.31 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3hr5 s VAL 120 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3hr5 s VAL 120 CO 0.13 0.60 0.10 -0.36 0.00 0.00 0.00 175.10 175.57 3hr5 s PHE 121 N -0.81 -0.11 -0.05 5.22 0.08 0.20 -4.98 117.98 117.54 3hr5 s PHE 121 Ca 0.12 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.50 3hr5 s PHE 121 Cb -0.11 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 3hr5 s PHE 121 CO 0.01 -0.05 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.34 3hr5 s ILE 122 N 0.09 2.22 -0.17 0.64 2.07 -1.26 0.21 121.20 124.99 3hr5 s ILE 122 Ca -0.00 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.22 3hr5 s ILE 122 Cb -0.01 -1.81 0.03 0.00 0.13 0.00 0.00 42.46 40.80 3hr5 s ILE 122 CO -0.00 0.57 -0.15 -0.36 -1.91 0.00 0.00 174.94 173.09 3hr5 s PHE 123 N -0.33 2.39 0.95 3.50 0.08 0.67 -4.99 117.98 120.24 3hr5 s PHE 123 Ca 0.02 -1.42 -0.11 0.00 0.12 0.00 0.00 56.93 55.53 3hr5 s PHE 123 Cb -0.12 -1.69 0.16 0.00 -0.57 0.00 0.00 43.02 40.79 3hr5 s PHE 123 CO 0.02 -0.72 1.09 -1.25 -0.10 0.00 0.00 175.22 174.26 3hr5 s PRO 124 N 1.41 0.84 0.48 0.24 0.04 -1.26 -1.53 135.00 135.22 3hr5 s PRO 124 Ca 0.04 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 3hr5 s PRO 124 Cb -0.14 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 3hr5 s PRO 124 CO -0.11 -2.58 1.18 -1.25 0.04 0.00 0.00 177.00 174.27 3hr5 s PRO 125 N -4.78 3.62 0.58 0.56 0.04 -1.20 -4.84 135.00 128.99 3hr5 s PRO 125 Ca 0.65 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 3hr5 s PRO 125 Cb -0.20 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 3hr5 s PRO 125 CO 0.59 -0.67 1.09 -1.54 0.04 0.00 0.00 177.00 176.51 3hr5 s SER 126 N -1.40 5.65 0.29 6.66 1.04 -1.26 -4.91 113.70 119.76 3hr5 s SER 126 Ca 0.66 2.00 -0.00 0.00 0.48 0.00 0.00 55.95 59.09 3hr5 s SER 126 Cb -0.29 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 63.77 3hr5 s SER 126 CO 0.34 -1.26 1.89 0.44 0.98 0.00 0.00 173.24 175.63 3hr5 h ASP 127 N 0.72 0.95 -0.70 7.02 3.32 -1.98 -1.55 116.42 124.19 3hr5 h ASP 127 Ca -0.48 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3hr5 h ASP 127 Cb 1.24 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3hr5 h ASP 127 CO 0.56 0.60 0.41 1.05 -1.72 0.00 0.00 179.24 180.15 3hr5 h GLU 128 N 1.07 0.98 -0.18 3.56 9.09 -2.00 -1.21 114.58 125.89 3hr5 h GLU 128 Ca 0.42 -0.09 -0.15 0.00 0.05 0.00 0.00 59.36 59.59 3hr5 h GLU 128 Cb 0.23 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3hr5 h GLU 128 CO -0.17 0.70 -0.48 0.37 0.05 0.00 0.00 179.01 179.48 3hr5 h GLN 129 N 0.99 0.64 -1.01 1.06 4.15 -1.82 -3.20 115.11 115.92 3hr5 h GLN 129 Ca 0.26 -0.45 0.23 0.00 0.77 0.00 0.00 58.65 59.46 3hr5 h GLN 129 Cb -0.01 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 27.64 3hr5 h GLN 129 CO -0.05 1.07 0.62 -0.07 -1.93 0.00 0.00 178.83 178.47 3hr5 h LEU 130 N 0.32 0.65 -1.06 -2.39 4.07 -0.51 0.29 115.31 116.68 3hr5 h LEU 130 Ca -0.01 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3hr5 h LEU 130 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3hr5 h LEU 130 CO 0.10 0.16 0.00 0.11 -1.08 0.00 0.00 178.44 177.73 3hr5 h LYS 131 N 0.59 0.00 0.00 1.13 1.57 -1.24 -1.83 116.57 116.78 3hr5 h LYS 131 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3hr5 h LYS 131 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hr5 h LYS 131 CO -0.39 0.00 -0.69 0.66 -0.57 0.00 0.00 179.45 178.46 3hr5 h SER 132 N 0.00 0.00 0.00 0.86 4.64 -0.51 -3.48 113.55 115.06 3hr5 h SER 132 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hr5 h SER 132 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hr5 h SER 132 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3hr5 n GLY 133 N 1.21 0.81 3.33 -0.77 0.00 -0.69 -5.06 105.19 104.03 3hr5 n GLY 133 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3hr5 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr5 s THR 134 N -2.00 2.03 -0.18 2.61 2.01 -1.25 -0.87 115.64 117.99 3hr5 s THR 134 Ca 0.00 -1.49 0.01 0.00 0.31 0.00 0.00 61.69 60.52 3hr5 s THR 134 Cb 0.00 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.76 3hr5 s THR 134 CO 0.00 0.19 -0.18 0.00 -0.69 0.00 0.00 174.62 173.94 3hr5 s ALA 135 N -0.93 2.25 -0.21 7.40 0.00 0.10 -3.70 121.76 126.67 3hr5 s ALA 135 Ca 0.11 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3hr5 s ALA 135 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3hr5 s ALA 135 CO 0.04 -0.41 0.03 -1.12 0.00 0.00 0.00 175.76 174.30 3hr5 s SER 136 N 1.32 5.04 -0.16 0.00 0.01 -1.26 -0.26 113.70 118.39 3hr5 s SER 136 Ca 0.04 -0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 3hr5 s SER 136 Cb -0.13 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 3hr5 s SER 136 CO -0.12 0.06 -0.04 -0.69 0.41 0.00 0.00 173.24 172.86 3hr5 s VAL 137 N 1.03 3.80 -0.10 3.43 1.01 0.41 -3.21 120.40 126.77 3hr5 s VAL 137 Ca 0.03 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3hr5 s VAL 137 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3hr5 s VAL 137 CO 0.02 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 3hr5 s VAL 138 N 0.53 3.10 -0.13 2.92 1.01 -0.58 -0.21 120.40 127.04 3hr5 s VAL 138 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3hr5 s VAL 138 Cb -0.14 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3hr5 s VAL 138 CO 0.03 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.46 3hr5 s LEU 140 N 0.77 3.06 -0.30 0.00 0.20 0.13 -0.99 118.68 121.55 3hr5 s LEU 140 Ca -0.09 -0.25 -0.05 0.00 0.69 0.00 0.00 54.13 54.43 3hr5 s LEU 140 Cb -0.16 -1.75 0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3hr5 s LEU 140 CO -0.00 0.09 0.05 -0.76 -0.29 0.00 0.00 176.35 175.43 3hr5 s LEU 141 N 0.81 3.88 -0.14 -0.68 1.02 0.22 -0.63 118.68 123.16 3hr5 s LEU 141 Ca -0.01 -0.98 -0.04 0.00 0.02 0.00 0.00 54.13 53.11 3hr5 s LEU 141 Cb -0.15 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 3hr5 s LEU 141 CO 0.02 -0.24 0.01 0.21 0.02 0.00 0.00 176.35 176.37 3hr5 s ASN 142 N 1.39 5.20 -0.93 2.29 2.47 0.16 -0.94 114.94 124.58 3hr5 s ASN 142 Ca -0.01 0.03 -0.08 0.00 0.42 0.00 0.00 52.86 53.22 3hr5 s ASN 142 Cb -0.18 -1.74 -0.01 0.00 -1.45 0.00 0.00 41.25 37.87 3hr5 s ASN 142 CO 0.01 0.24 0.74 0.59 -3.72 0.00 0.00 177.10 174.96 3hr5 n ASN 143 N 3.06 -6.23 -4.50 -4.21 3.02 -0.99 -1.60 115.26 103.80 3hr5 n ASN 143 Ca -0.18 -0.65 -0.24 0.00 -0.03 0.00 0.00 54.58 53.49 3hr5 n ASN 143 Cb 0.53 -3.89 -0.10 0.00 -0.61 0.00 0.00 39.78 35.71 3hr5 n ASN 143 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hr5 s PHE 144 N -3.20 2.35 -0.15 3.10 -0.71 0.10 -4.55 117.98 114.93 3hr5 s PHE 144 Ca 0.21 -0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 55.68 3hr5 s PHE 144 Cb -0.06 -1.02 0.05 0.00 -1.21 0.00 0.00 43.02 40.77 3hr5 s PHE 144 CO 0.82 0.70 0.37 -0.47 -1.34 0.00 0.00 175.22 175.30 3hr5 s TYR 145 N -2.48 -0.48 0.94 3.49 6.14 -0.38 0.17 117.35 124.75 3hr5 s TYR 145 Ca 0.30 1.09 -0.16 0.00 0.64 0.00 0.00 57.07 58.94 3hr5 s TYR 145 Cb -0.05 0.18 0.22 0.00 0.42 0.00 0.00 41.96 42.73 3hr5 s TYR 145 CO 0.16 -0.27 1.18 -2.30 0.64 0.00 0.00 175.55 174.96 3hr5 n PRO 146 N 3.68 -1.54 0.30 4.97 -0.02 -1.26 -0.32 135.00 140.80 3hr5 n PRO 146 Ca -0.19 -1.83 0.15 0.00 -2.02 0.00 0.00 63.50 59.60 3hr5 n PRO 146 Cb 0.56 -1.31 0.91 0.00 -0.02 0.00 0.00 33.50 33.64 3hr5 n PRO 146 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hr5 h ARG 147 N 0.00 0.00 -6.03 -0.52 2.43 -1.98 -3.44 114.38 104.85 3hr5 h ARG 147 Ca -0.39 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.21 3hr5 h ARG 147 Cb 1.10 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 3hr5 h ARG 147 CO 0.27 0.01 0.28 -2.00 -1.51 0.00 0.00 179.97 177.02 3hr5 s GLU 148 N -4.62 4.37 -0.06 0.20 -6.30 -1.26 -5.00 118.70 106.04 3hr5 s GLU 148 Ca -0.05 1.02 -0.20 0.00 -2.50 0.00 0.00 54.97 53.23 3hr5 s GLU 148 Cb 0.15 -3.52 0.04 0.00 0.00 0.00 0.00 34.13 30.80 3hr5 s GLU 148 CO 0.55 -0.17 0.46 0.00 0.02 0.00 0.00 175.26 176.13 3hr5 s ALA 149 N 1.57 -1.18 -0.10 6.30 0.00 -1.26 -4.64 121.76 122.45 3hr5 s ALA 149 Ca 0.40 0.86 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3hr5 s ALA 149 Cb -0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3hr5 s ALA 149 CO 0.16 -0.29 -0.24 0.21 0.00 0.00 0.00 175.76 175.61 3hr5 s LYS 150 N -0.94 3.01 -0.15 0.00 2.20 -0.80 -5.01 119.74 118.06 3hr5 s LYS 150 Ca -0.10 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 3hr5 s LYS 150 Cb -0.03 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.98 3hr5 s LYS 150 CO 0.05 0.20 -0.15 0.08 -0.36 0.00 0.00 175.35 175.18 3hr5 s VAL 151 N 0.28 2.74 -0.08 4.02 1.01 -1.26 -1.56 120.40 125.55 3hr5 s VAL 151 Ca -0.17 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3hr5 s VAL 151 Cb -0.17 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3hr5 s VAL 151 CO 0.08 0.51 -0.23 -1.10 0.00 0.00 0.00 175.10 174.36 3hr5 s GLN 152 N 0.76 2.78 -0.16 2.72 -0.21 0.02 -4.98 119.66 120.59 3hr5 s GLN 152 Ca -0.06 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.35 3hr5 s GLN 152 Cb -0.15 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 3hr5 s GLN 152 CO 0.01 0.22 0.26 -1.58 -2.12 0.00 0.00 175.29 172.08 3hr5 s TRP 153 N 0.22 3.47 -0.07 0.91 0.52 -1.26 -0.65 118.94 122.08 3hr5 s TRP 153 Ca -0.14 0.56 0.03 0.00 0.02 0.00 0.00 56.10 56.57 3hr5 s TRP 153 Cb -0.17 -2.28 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 3hr5 s TRP 153 CO 0.07 0.30 -0.16 0.15 0.02 0.00 0.00 176.95 177.33 3hr5 s LYS 154 N 0.29 2.10 -0.23 4.98 1.02 -0.43 -0.88 119.74 126.59 3hr5 s LYS 154 Ca 0.15 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3hr5 s LYS 154 Cb -0.13 -1.68 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 3hr5 s LYS 154 CO 0.03 0.09 -0.10 0.08 -0.92 0.00 0.00 175.35 174.53 3hr5 s VAL 155 N 0.52 1.83 -1.35 3.17 1.01 -0.02 -0.76 120.40 124.79 3hr5 s VAL 155 Ca -0.15 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.42 3hr5 s VAL 155 Cb -0.16 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3hr5 s VAL 155 CO 0.05 0.05 0.44 0.47 0.00 0.00 0.00 175.10 176.12 3hr5 n ASP 156 N 4.59 -1.90 0.00 3.32 8.00 0.25 -1.51 116.55 129.29 3hr5 n ASP 156 Ca -0.14 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3hr5 n ASP 156 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 3hr5 n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hr5 n ASN 157 N -2.68 0.00 -4.63 -2.24 3.02 -1.26 -4.96 115.26 102.51 3hr5 n ASN 157 Ca -0.22 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 3hr5 n ASN 157 Cb 0.64 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3hr5 n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hr5 s ALA 158 N -1.36 3.37 0.21 5.41 0.00 -0.57 -4.97 121.76 123.84 3hr5 s ALA 158 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 3hr5 s ALA 158 Cb 0.00 -3.77 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 3hr5 s ALA 158 CO 0.00 -1.76 1.73 -1.17 0.00 0.00 0.00 175.76 174.56 3hr5 s LEU 159 N 4.39 4.37 -0.17 0.00 1.98 -1.26 -0.84 118.68 127.15 3hr5 s LEU 159 Ca 0.57 2.87 -0.17 0.00 -2.89 0.00 0.00 54.13 54.51 3hr5 s LEU 159 Cb -0.17 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.04 3hr5 s LEU 159 CO 0.23 -0.97 0.42 -1.10 -1.89 0.00 0.00 176.35 173.04 3hr5 s GLN 160 N 1.23 4.25 -0.06 1.98 -1.52 -0.06 -4.94 119.66 120.54 3hr5 s GLN 160 Ca 0.75 0.30 0.01 0.00 -1.95 0.00 0.00 55.36 54.47 3hr5 s GLN 160 Cb -0.50 -3.49 0.02 0.00 -0.22 0.00 0.00 33.01 28.83 3hr5 s GLN 160 CO 0.32 0.06 -0.07 0.45 -0.25 0.00 0.00 175.29 175.81 3hr5 s SER 161 N 0.82 1.31 0.00 5.90 0.15 -1.26 -4.67 113.70 115.94 3hr5 s SER 161 Ca 0.22 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3hr5 s SER 161 Cb -0.15 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 3hr5 s SER 161 CO 0.08 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.09 3hr5 n GLY 162 N 4.11 0.64 0.71 9.45 0.00 -1.26 -4.94 105.19 113.90 3hr5 n GLY 162 Ca -0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3hr5 n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hr5 n ASN 163 N 0.00 1.44 -4.20 1.61 0.23 -1.26 -5.05 115.26 108.04 3hr5 n ASN 163 Ca 0.00 -3.02 -0.12 0.00 -0.53 0.00 0.00 54.58 50.92 3hr5 n ASN 163 Cb 0.00 -0.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.19 3hr5 n ASN 163 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3hr5 s SER 164 N -2.57 1.28 -0.01 0.53 1.04 -1.26 -1.46 113.70 111.26 3hr5 s SER 164 Ca 0.31 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 3hr5 s SER 164 Cb 0.31 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hr5 s SER 164 CO -0.07 -0.45 0.10 -1.10 0.98 0.00 0.00 173.24 172.70 3hr5 s GLN 165 N -3.83 0.36 0.18 4.02 -0.21 -0.97 -4.99 119.66 114.22 3hr5 s GLN 165 Ca 0.14 -0.29 0.11 0.00 0.02 0.00 0.00 55.36 55.34 3hr5 s GLN 165 Cb 0.05 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 34.16 3hr5 s GLN 165 CO -0.03 -0.08 -0.24 -1.21 -2.12 0.00 0.00 175.29 171.62 3hr5 s GLU 166 N -1.02 1.49 -0.07 2.91 2.02 -1.26 -1.50 118.70 121.26 3hr5 s GLU 166 Ca -0.11 -1.49 -0.03 0.00 0.02 0.00 0.00 54.97 53.36 3hr5 s GLU 166 Cb -0.06 -1.84 0.04 0.00 0.10 0.00 0.00 34.13 32.37 3hr5 s GLU 166 CO 0.01 0.40 0.17 0.45 0.02 0.00 0.00 175.26 176.31 3hr5 s SER 167 N -2.55 -0.14 -0.11 -0.19 0.15 -0.45 -5.01 113.70 105.39 3hr5 s SER 167 Ca 0.19 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.20 3hr5 s SER 167 Cb -0.08 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3hr5 s SER 167 CO 0.09 -0.15 -0.14 -0.69 1.20 0.00 0.00 173.24 173.55 3hr5 s VAL 168 N 1.13 3.01 0.60 4.45 1.01 -1.26 -1.88 120.40 127.46 3hr5 s VAL 168 Ca -0.09 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3hr5 s VAL 168 Cb -0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3hr5 s VAL 168 CO -0.06 0.54 1.25 -0.89 0.00 0.00 0.00 175.10 175.95 3hr5 s THR 169 N 0.07 2.38 0.47 3.92 2.01 0.19 -5.00 115.64 119.68 3hr5 s THR 169 Ca -0.06 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 3hr5 s THR 169 Cb -0.15 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 3hr5 s THR 169 CO 0.04 -0.04 1.04 -0.70 -0.69 0.00 0.00 174.62 174.27 3hr5 s GLU 170 N -3.26 3.89 0.24 4.92 2.56 -1.26 -4.57 118.70 121.21 3hr5 s GLU 170 Ca 0.78 1.39 -0.31 0.00 0.00 0.00 0.00 54.97 56.83 3hr5 s GLU 170 Cb -0.34 -2.19 -0.14 0.00 2.00 0.00 0.00 34.13 33.46 3hr5 s GLU 170 CO 0.37 -0.36 1.29 0.94 -0.56 0.00 0.00 175.26 176.94 3hr5 n GLN 171 N -0.77 1.75 -2.16 4.30 7.27 -1.26 -4.86 117.38 121.65 3hr5 n GLN 171 Ca 0.08 0.62 -0.42 0.00 0.07 0.00 0.00 57.00 57.36 3hr5 n GLN 171 Cb 0.52 -2.20 -0.03 0.00 2.41 0.00 0.00 30.24 30.94 3hr5 n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hr5 s ASP 172 N 0.07 6.82 0.00 1.69 -1.08 -0.58 -4.90 116.67 118.68 3hr5 s ASP 172 Ca 0.67 2.43 0.28 0.00 -0.52 0.00 0.00 52.55 55.41 3hr5 s ASP 172 Cb -0.70 -2.60 1.43 0.00 -1.46 0.00 0.00 42.92 39.59 3hr5 s ASP 172 CO 0.53 -0.61 1.95 -1.54 0.52 0.00 0.00 175.17 176.02 3hr5 n SER 173 N 3.03 0.00 -0.05 -0.34 3.41 -1.26 -1.73 113.62 116.68 3hr5 n SER 173 Ca 0.08 -0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 3hr5 n SER 173 Cb 0.42 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3hr5 n SER 173 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hr5 n LYS 174 N -1.24 0.26 0.00 4.33 4.81 -1.26 -2.74 118.16 122.31 3hr5 n LYS 174 Ca 0.14 0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.78 3hr5 n LYS 174 Cb 0.20 -0.94 0.05 0.00 0.02 0.00 0.00 35.03 34.36 3hr5 n LYS 174 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hr5 n ASP 175 N -3.71 2.19 -0.98 3.14 5.68 -1.25 -4.91 116.55 116.71 3hr5 n ASP 175 Ca -0.18 -1.60 -0.13 0.00 -0.50 0.00 0.00 54.79 52.38 3hr5 n ASP 175 Cb 0.51 0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.58 3hr5 n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hr5 n SER 176 N 0.65 -5.05 -4.84 -1.12 7.64 -0.70 -4.98 113.62 105.22 3hr5 n SER 176 Ca 0.09 0.32 -0.22 0.00 1.01 0.00 0.00 58.87 60.07 3hr5 n SER 176 Cb 0.40 -3.67 0.07 0.00 -1.01 0.00 0.00 64.21 60.01 3hr5 n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hr5 s THR 177 N -2.30 2.34 0.22 0.44 -4.23 -1.26 -4.65 115.64 106.20 3hr5 s THR 177 Ca 0.00 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.92 3hr5 s THR 177 Cb 0.00 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 3hr5 s THR 177 CO 0.00 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.60 3hr5 s TYR 178 N -2.92 1.94 0.13 3.99 1.51 0.13 -1.53 117.35 120.59 3hr5 s TYR 178 Ca 0.62 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 56.29 3hr5 s TYR 178 Cb -0.07 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3hr5 s TYR 178 CO 0.41 0.47 -0.16 -1.12 -1.11 0.00 0.00 175.55 174.04 3hr5 s SER 179 N -3.23 2.26 -0.03 2.29 0.01 -1.26 0.01 113.70 113.74 3hr5 s SER 179 Ca 0.23 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 3hr5 s SER 179 Cb -0.03 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.12 3hr5 s SER 179 CO 0.09 -0.08 0.07 -0.22 0.41 0.00 0.00 173.24 173.51 3hr5 s LEU 180 N -2.41 1.08 -0.08 2.44 2.96 -0.12 -0.64 118.68 121.91 3hr5 s LEU 180 Ca 0.10 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3hr5 s LEU 180 Cb -0.06 0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.73 3hr5 s LEU 180 CO 0.04 -0.12 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.84 3hr5 s SER 181 N 0.93 3.73 -0.09 3.68 1.04 -0.79 -0.61 113.70 121.60 3hr5 s SER 181 Ca -0.08 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.06 3hr5 s SER 181 Cb -0.10 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.93 3hr5 s SER 181 CO -0.03 0.26 -0.21 -0.55 0.98 0.00 0.00 173.24 173.69 3hr5 s SER 182 N -0.21 2.73 -0.18 7.02 0.15 -0.16 -1.34 113.70 121.71 3hr5 s SER 182 Ca -0.00 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 3hr5 s SER 182 Cb -0.13 -1.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.93 3hr5 s SER 182 CO 0.03 0.12 -0.12 -0.89 1.20 0.00 0.00 173.24 173.58 3hr5 s THR 183 N 0.47 2.83 -0.25 6.45 2.01 -0.56 -0.20 115.64 126.38 3hr5 s THR 183 Ca -0.17 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 3hr5 s THR 183 Cb -0.17 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3hr5 s THR 183 CO 0.07 0.49 0.48 -0.22 -0.69 0.00 0.00 174.62 174.74 3hr5 s LEU 184 N 1.13 4.06 -0.20 4.42 2.96 0.71 -2.29 118.68 129.47 3hr5 s LEU 184 Ca 0.01 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3hr5 s LEU 184 Cb -0.14 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3hr5 s LEU 184 CO -0.04 -0.24 0.04 -0.89 -1.32 0.00 0.00 176.35 173.90 3hr5 s THR 185 N 2.12 4.33 0.19 3.68 2.01 -0.53 -0.45 115.64 126.99 3hr5 s THR 185 Ca 0.20 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.09 3hr5 s THR 185 Cb -0.16 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 3hr5 s THR 185 CO 0.09 0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.55 3hr5 s LEU 186 N 0.92 2.55 0.57 4.42 1.43 0.65 -4.88 118.68 124.34 3hr5 s LEU 186 Ca 0.03 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.93 3hr5 s LEU 186 Cb -0.14 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3hr5 s LEU 186 CO 0.02 -0.21 1.11 -0.94 0.23 0.00 0.00 176.35 176.56 3hr5 s SER 187 N -3.27 5.60 0.38 2.29 1.04 -1.26 0.03 113.70 118.51 3hr5 s SER 187 Ca 0.21 2.09 0.08 0.00 0.48 0.00 0.00 55.95 58.81 3hr5 s SER 187 Cb 0.00 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.38 3hr5 s SER 187 CO 0.05 -1.30 1.96 0.50 0.98 0.00 0.00 173.24 175.43 3hr5 h LYS 188 N 0.86 0.64 0.42 4.02 3.64 -1.26 0.00 116.57 124.88 3hr5 h LYS 188 Ca -0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3hr5 h LYS 188 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hr5 h LYS 188 CO 0.56 0.42 -0.20 0.00 -2.27 0.00 0.00 179.45 177.96 3hr5 h ALA 189 N 1.63 -0.56 -0.39 5.00 0.00 -1.93 0.17 119.26 123.19 3hr5 h ALA 189 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hr5 h ALA 189 Cb 0.37 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3hr5 h ALA 189 CO -0.10 -0.80 0.13 -0.44 0.00 0.00 0.00 179.25 178.03 3hr5 h ASP 190 N -0.58 0.14 -0.83 0.00 3.32 -1.88 -2.91 116.42 113.68 3hr5 h ASP 190 Ca -0.06 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.13 3hr5 h ASP 190 Cb 0.44 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3hr5 h ASP 190 CO 0.09 0.12 0.48 0.22 -1.72 0.00 0.00 179.24 178.43 3hr5 h TYR 191 N 0.29 0.87 0.00 4.55 3.20 -0.74 -2.54 116.97 122.61 3hr5 h TYR 191 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3hr5 h TYR 191 Cb 0.16 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3hr5 h TYR 191 CO -0.15 0.36 0.00 0.39 -1.64 0.00 0.00 178.16 177.12 3hr5 n GLU 192 N -4.73 0.03 -0.28 1.82 -0.58 0.02 -3.35 120.64 113.57 3hr5 n GLU 192 Ca 0.14 0.04 0.09 0.00 -0.42 0.00 0.00 57.16 57.01 3hr5 n GLU 192 Cb 0.28 -1.53 0.25 0.00 -0.57 0.00 0.00 31.44 29.87 3hr5 n GLU 192 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3hr5 n LYS 193 N -1.58 2.30 -4.18 3.49 2.85 -0.96 -4.93 118.16 115.16 3hr5 n LYS 193 Ca 0.07 -2.02 -0.11 0.00 -1.05 0.00 0.00 58.31 55.20 3hr5 n LYS 193 Cb 0.34 -1.44 -0.10 0.00 -0.65 0.00 0.00 35.03 33.18 3hr5 n LYS 193 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3hr5 s HIS 194 N -1.26 0.92 -0.05 5.58 3.76 -1.21 -5.11 115.29 117.93 3hr5 s HIS 194 Ca 0.38 -0.97 -0.08 0.00 -0.15 0.00 0.00 55.06 54.24 3hr5 s HIS 194 Cb 0.20 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 3hr5 s HIS 194 CO 0.26 -0.20 -0.16 1.63 -0.85 0.00 0.00 174.74 175.42 3hr5 n LYS 195 N -0.07 0.24 -3.40 1.40 4.01 -1.26 -4.72 118.16 114.36 3hr5 n LYS 195 Ca -0.11 0.10 -0.40 0.00 -0.51 0.00 0.00 58.31 57.39 3hr5 n LYS 195 Cb 0.61 -0.92 -0.09 0.00 -0.51 0.00 0.00 35.03 34.12 3hr5 n LYS 195 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3hr5 s VAL 196 N -2.37 5.18 -0.25 -0.18 1.01 -1.26 -0.76 120.40 121.76 3hr5 s VAL 196 Ca -0.14 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3hr5 s VAL 196 Cb 0.03 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3hr5 s VAL 196 CO 0.20 0.06 -0.05 -0.31 0.00 0.00 0.00 175.10 175.00 3hr5 s TYR 197 N 2.04 3.08 -0.02 5.22 1.51 -0.75 -0.59 117.35 127.85 3hr5 s TYR 197 Ca 0.13 -1.53 0.05 0.00 -1.01 0.00 0.00 57.07 54.71 3hr5 s TYR 197 Cb -0.16 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 3hr5 s TYR 197 CO 0.11 -0.72 -0.18 0.00 -1.11 0.00 0.00 175.55 173.64 3hr5 s ALA 198 N 1.33 1.53 -0.31 3.71 0.00 0.06 -1.73 121.76 126.35 3hr5 s ALA 198 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3hr5 s ALA 198 Cb -0.17 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3hr5 s ALA 198 CO -0.04 0.36 0.05 0.00 0.00 0.00 0.00 175.76 176.13 3hr5 s GLU 200 N 1.38 4.00 -0.08 0.00 2.12 0.18 -1.46 118.70 124.83 3hr5 s GLU 200 Ca -0.01 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.03 3hr5 s GLU 200 Cb -0.19 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3hr5 s GLU 200 CO 0.01 0.25 -0.21 0.08 -0.54 0.00 0.00 175.26 174.85 3hr5 s VAL 201 N 0.45 1.81 -0.05 3.70 1.01 0.81 -0.80 120.40 127.33 3hr5 s VAL 201 Ca 0.04 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3hr5 s VAL 201 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3hr5 s VAL 201 CO 0.00 0.50 -0.25 -0.89 0.00 0.00 0.00 175.10 174.47 3hr5 s THR 202 N 0.32 2.13 -0.28 3.92 2.01 -0.60 -1.49 115.64 121.64 3hr5 s THR 202 Ca -0.15 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 3hr5 s THR 202 Cb -0.16 -1.76 0.10 0.00 0.01 0.00 0.00 72.50 70.68 3hr5 s THR 202 CO 0.07 0.57 0.83 -2.28 -0.69 0.00 0.00 174.62 173.12 3hr5 s HIS 203 N -0.31 -0.74 0.40 4.92 2.46 -1.26 -1.90 115.29 118.85 3hr5 s HIS 203 Ca 0.01 1.67 0.29 0.00 0.47 0.00 0.00 55.06 57.51 3hr5 s HIS 203 Cb -0.13 0.38 1.35 0.00 -0.13 0.00 0.00 32.58 34.06 3hr5 s HIS 203 CO 0.02 -0.36 1.42 0.94 -2.47 0.00 0.00 174.74 174.29 3hr5 n GLN 204 N 3.04 -0.03 0.00 2.88 7.27 -1.26 0.53 117.38 129.80 3hr5 n GLN 204 Ca -0.15 1.14 0.14 0.00 0.07 0.00 0.00 57.00 58.20 3hr5 n GLN 204 Cb 0.56 -2.25 0.62 0.00 2.41 0.00 0.00 30.24 31.58 3hr5 n GLN 204 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hr5 n GLY 205 N -1.46 -1.44 3.58 1.69 0.00 -1.26 -4.67 105.19 101.63 3hr5 n GLY 205 Ca 0.37 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 3hr5 n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hr5 s LEU 206 N -2.95 3.92 0.48 0.99 1.02 0.19 -4.48 118.68 117.86 3hr5 s LEU 206 Ca 0.15 -0.01 0.21 0.00 0.02 0.00 0.00 54.13 54.50 3hr5 s LEU 206 Cb 0.19 -2.07 1.24 0.00 0.02 0.00 0.00 46.19 45.57 3hr5 s LEU 206 CO 0.50 -0.01 1.96 -1.28 0.02 0.00 0.00 176.35 177.54 3hr5 h SER 207 N 8.04 0.18 -4.93 2.29 0.87 -1.83 -3.44 113.55 114.74 3hr5 h SER 207 Ca -0.36 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.16 3hr5 h SER 207 Cb 1.18 -0.03 -0.19 0.00 -0.44 0.00 0.00 62.40 62.92 3hr5 h SER 207 CO 0.59 0.09 0.22 -0.55 -0.53 0.00 0.00 176.83 176.65 3hr5 s SER 208 N -6.07 -0.63 0.41 6.23 0.15 -1.26 -5.15 113.70 107.38 3hr5 s SER 208 Ca -0.06 0.66 -0.26 0.00 0.70 0.00 0.00 55.95 56.99 3hr5 s SER 208 Cb 0.20 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.93 3hr5 s SER 208 CO 0.75 -0.60 1.30 -2.65 1.20 0.00 0.00 173.24 173.24 3hr5 n PRO 209 N 0.84 2.03 -4.20 5.44 -0.02 -1.26 -4.95 135.00 132.87 3hr5 n PRO 209 Ca -0.18 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 3hr5 n PRO 209 Cb 0.57 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 3hr5 n PRO 209 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hr5 s VAL 210 N -1.18 4.49 -0.17 -1.45 1.01 -0.56 -4.90 120.40 117.65 3hr5 s VAL 210 Ca 0.60 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 3hr5 s VAL 210 Cb -0.51 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3hr5 s VAL 210 CO 0.59 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 175.18 3hr5 s THR 211 N -0.13 2.68 -0.17 3.92 2.01 -1.26 -0.13 115.64 122.56 3hr5 s THR 211 Ca 0.05 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 3hr5 s THR 211 Cb -0.12 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 3hr5 s THR 211 CO 0.02 0.51 0.02 -0.54 -0.69 0.00 0.00 174.62 173.93 3hr5 s LYS 212 N 0.97 3.81 0.12 4.92 3.01 -0.54 -4.97 119.74 127.06 3hr5 s LYS 212 Ca -0.02 -0.42 -0.01 0.00 -1.01 0.00 0.00 55.97 54.51 3hr5 s LYS 212 Cb -0.15 -3.07 -0.04 0.00 -1.01 0.00 0.00 37.83 33.57 3hr5 s LYS 212 CO -0.02 0.28 0.05 -1.54 0.51 0.00 0.00 175.35 174.63 3hr5 s SER 213 N 0.30 0.33 0.06 2.83 1.04 -1.26 -0.19 113.70 116.81 3hr5 s SER 213 Ca 0.00 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 3hr5 s SER 213 Cb -0.13 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3hr5 s SER 213 CO 0.01 -0.72 -0.02 0.72 0.98 0.00 0.00 173.24 174.22 3hr5 s PHE 214 N -4.03 0.59 -0.20 5.02 -0.12 -0.71 -5.00 117.98 113.53 3hr5 s PHE 214 Ca 0.22 -1.08 -0.12 0.00 -0.05 0.00 0.00 56.93 55.90 3hr5 s PHE 214 Cb 0.07 -0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 3hr5 s PHE 214 CO 0.00 -0.38 0.20 -0.80 -0.05 0.00 0.00 175.22 174.19 3hr5 s ASN 215 N -2.94 6.28 0.95 1.98 0.02 -1.26 -1.80 114.94 118.16 3hr5 s ASN 215 Ca 0.09 0.31 -0.12 0.00 -1.02 0.00 0.00 52.86 52.13 3hr5 s ASN 215 Cb 0.08 -2.13 0.10 0.00 0.02 0.00 0.00 41.25 39.32 3hr5 s ASN 215 CO -0.08 0.12 0.74 -1.14 0.02 0.00 0.00 177.10 176.76 3hr5 n ARG 216 N 3.74 -0.51 0.00 -0.60 0.63 0.06 -4.98 116.66 114.99 3hr5 n ARG 216 Ca -0.14 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 3hr5 n ARG 216 Cb 0.52 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.34 3hr5 n ARG 216 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hr5 n GLY 217 N 0.96 3.24 0.00 5.14 0.00 -1.26 -4.78 105.19 108.49 3hr5 n GLY 217 Ca 0.09 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3hr5 n GLY 217 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hr5 n GLU 218 N 0.20 0.42 0.00 1.61 0.28 -1.26 -5.17 120.64 116.73 3hr5 n GLU 218 Ca 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3hr5 n GLU 218 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3hr5 n GLU 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97