#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 4.11 -0.17 0.53 1.01 -1.26 -5.05 121.20 120.37 3hr5 s ILE 2 Ca 0.00 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.44 3hr5 s ILE 2 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3hr5 s ILE 2 CO 0.00 0.33 0.04 0.00 0.00 0.00 0.00 174.94 175.31 3hr5 s GLN 3 N -0.44 3.83 -0.18 2.79 -2.07 -1.26 -4.97 119.66 117.36 3hr5 s GLN 3 Ca 0.47 -0.38 0.01 0.00 -1.82 0.00 0.00 55.36 53.63 3hr5 s GLN 3 Cb -0.27 -3.11 0.03 0.00 -1.09 0.00 0.00 33.01 28.56 3hr5 s GLN 3 CO 0.33 0.31 -0.18 -1.64 -1.32 0.00 0.00 175.29 172.79 3hr5 s MET 4 N 0.25 2.75 -0.13 9.60 -1.94 -1.26 -2.25 119.30 126.32 3hr5 s MET 4 Ca 0.02 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 3hr5 s MET 4 Cb -0.13 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.20 3hr5 s MET 4 CO 0.01 -0.26 -0.20 0.99 -0.01 0.00 0.00 175.02 175.55 3hr5 s THR 5 N 1.31 2.33 -0.05 2.05 2.01 -0.59 -3.99 115.64 118.71 3hr5 s THR 5 Ca 0.03 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3hr5 s THR 5 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3hr5 s THR 5 CO -0.12 0.54 0.07 -1.10 -0.69 0.00 0.00 174.62 173.32 3hr5 s GLN 6 N 0.62 3.10 -0.04 4.92 -0.21 -1.26 -0.98 119.66 125.81 3hr5 s GLN 6 Ca -0.11 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.89 3hr5 s GLN 6 Cb -0.16 -2.89 0.02 0.00 1.00 0.00 0.00 33.01 30.97 3hr5 s GLN 6 CO 0.03 0.69 -0.05 -1.12 -2.12 0.00 0.00 175.29 172.72 3hr5 s SER 7 N -1.35 0.95 0.85 5.90 0.01 -0.54 -4.25 113.70 115.26 3hr5 s SER 7 Ca 0.19 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 3hr5 s SER 7 Cb -0.12 -0.45 0.13 0.00 0.21 0.00 0.00 66.02 65.79 3hr5 s SER 7 CO 0.09 -0.04 1.20 -2.16 0.41 0.00 0.00 173.24 172.73 3hr5 s PRO 8 N 0.85 1.40 0.27 12.44 0.04 -1.26 -0.78 135.00 147.96 3hr5 s PRO 8 Ca -0.12 -0.30 0.07 0.00 0.04 0.00 0.00 61.00 60.70 3hr5 s PRO 8 Cb -0.14 -1.98 0.35 0.00 0.04 0.00 0.00 34.50 32.77 3hr5 s PRO 8 CO 0.00 -1.88 1.62 0.77 0.04 0.00 0.00 177.00 177.56 3hr5 h SER 9 N -1.18 0.17 -5.06 6.66 0.02 -1.84 -3.42 113.55 108.89 3hr5 h SER 9 Ca -0.44 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.34 3hr5 h SER 9 Cb 1.28 -0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.62 3hr5 h SER 9 CO 0.50 0.69 -0.15 -0.94 -1.14 0.00 0.00 176.83 175.79 3hr5 s SER 10 N -6.88 -0.21 -0.15 3.07 1.04 -1.26 -0.58 113.70 108.72 3hr5 s SER 10 Ca -0.03 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 3hr5 s SER 10 Cb 0.13 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.71 3hr5 s SER 10 CO 0.78 -0.70 0.51 -1.48 0.98 0.00 0.00 173.24 173.33 3hr5 s LEU 11 N -2.24 0.06 -0.12 2.42 0.05 -0.12 -4.93 118.68 113.79 3hr5 s LEU 11 Ca -0.03 0.88 -0.06 0.00 0.05 0.00 0.00 54.13 54.97 3hr5 s LEU 11 Cb 0.00 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.89 3hr5 s LEU 11 CO -0.05 -0.26 0.12 -0.44 -0.55 0.00 0.00 176.35 175.16 3hr5 s SER 12 N -0.11 6.19 -0.12 1.48 0.01 -1.26 -1.17 113.70 118.73 3hr5 s SER 12 Ca -0.03 0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.46 3hr5 s SER 12 Cb -0.03 -1.97 0.04 0.00 0.21 0.00 0.00 66.02 64.27 3hr5 s SER 12 CO 0.02 0.40 0.46 0.00 0.41 0.00 0.00 173.24 174.53 3hr5 s ALA 13 N -0.98 -1.15 0.73 1.44 0.00 -0.97 -4.94 121.76 115.89 3hr5 s ALA 13 Ca 0.15 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3hr5 s ALA 13 Cb -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.58 3hr5 s ALA 13 CO 0.04 -0.25 1.07 -1.12 0.00 0.00 0.00 175.76 175.50 3hr5 s SER 14 N -0.35 5.00 0.16 0.00 0.01 -1.26 -0.28 113.70 116.98 3hr5 s SER 14 Ca -0.05 1.68 -0.31 0.00 1.31 0.00 0.00 55.95 58.57 3hr5 s SER 14 Cb -0.03 -2.48 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 3hr5 s SER 14 CO 0.03 -1.70 1.75 -0.69 0.41 0.00 0.00 173.24 173.04 3hr5 s VAL 15 N -3.00 2.37 0.00 3.43 1.01 -1.26 -2.12 120.40 120.83 3hr5 s VAL 15 Ca 0.59 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3hr5 s VAL 15 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hr5 s VAL 15 CO 0.55 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3hr5 n GLY 16 N 4.07 0.40 3.78 4.51 0.00 0.42 -4.90 105.19 113.47 3hr5 n GLY 16 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 5.82 -0.36 1.61 1.01 -0.90 -4.40 116.67 117.10 3hr5 s ASP 17 Ca 0.00 2.11 -0.22 0.00 0.71 0.00 0.00 52.55 55.15 3hr5 s ASP 17 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.36 3hr5 s ASP 17 CO 0.00 -1.15 0.71 -0.60 0.21 0.00 0.00 175.17 174.34 3hr5 s ARG 18 N -3.34 3.73 -0.14 8.23 3.52 -1.26 -1.33 118.95 128.35 3hr5 s ARG 18 Ca 0.71 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.46 3hr5 s ARG 18 Cb -0.22 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 3hr5 s ARG 18 CO 0.26 -0.78 0.00 0.08 -0.81 0.00 0.00 175.30 174.06 3hr5 s VAL 19 N 2.89 4.27 -0.15 7.11 1.01 0.60 -4.97 120.40 131.16 3hr5 s VAL 19 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3hr5 s VAL 19 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3hr5 s VAL 19 CO 0.16 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.70 3hr5 s THR 20 N 0.01 1.84 -0.10 3.92 2.01 -1.26 -0.95 115.64 121.10 3hr5 s THR 20 Ca 0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3hr5 s THR 20 Cb -0.13 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 3hr5 s THR 20 CO 0.02 0.50 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.64 3hr5 s ILE 21 N 1.17 2.63 0.00 1.82 1.01 0.27 -4.69 121.20 123.43 3hr5 s ILE 21 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3hr5 s ILE 21 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3hr5 s ILE 21 CO -0.08 0.55 0.12 -0.89 0.00 0.00 0.00 174.94 174.64 3hr5 s THR 22 N 0.15 4.95 -0.06 2.92 2.01 0.04 -0.13 115.64 125.53 3hr5 s THR 22 Ca -0.10 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 3hr5 s THR 22 Cb -0.16 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.09 3hr5 s THR 22 CO 0.06 0.32 -0.01 0.00 -0.69 0.00 0.00 174.62 174.29 3hr5 s ARG 24 N 1.49 3.16 0.19 0.00 3.52 -0.15 -1.72 118.95 125.45 3hr5 s ARG 24 Ca -0.02 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 3hr5 s ARG 24 Cb -0.13 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 3hr5 s ARG 24 CO -0.03 -0.13 0.36 0.45 -0.81 0.00 0.00 175.30 175.15 3hr5 s SER 25 N 1.17 6.37 0.00 -2.12 0.15 -0.32 -1.54 113.70 117.40 3hr5 s SER 25 Ca 0.01 0.33 0.23 0.00 0.70 0.00 0.00 55.95 57.23 3hr5 s SER 25 Cb -0.14 -1.98 0.12 0.00 -1.71 0.00 0.00 66.02 62.31 3hr5 s SER 25 CO -0.06 -0.02 1.16 -1.54 1.20 0.00 0.00 173.24 173.98 3hr5 n SER 26 N -0.66 1.49 -4.20 5.45 3.41 -0.96 -4.87 113.62 113.29 3hr5 n SER 26 Ca -0.05 -1.19 -0.22 0.00 -0.26 0.00 0.00 58.87 57.15 3hr5 n SER 26 Cb 0.54 0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 64.88 3hr5 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hr5 s GLN 27 N -2.64 1.06 0.22 4.33 -0.21 -1.26 -4.97 119.66 116.18 3hr5 s GLN 27 Ca 0.17 -0.92 -0.31 0.00 0.02 0.00 0.00 55.36 54.31 3hr5 s GLN 27 Cb 0.18 -1.15 -0.14 0.00 1.00 0.00 0.00 33.01 32.90 3hr5 s GLN 27 CO 0.64 0.28 1.27 0.45 -2.12 0.00 0.00 175.29 175.81 3hr5 n SER 28 N 1.60 2.08 -1.25 5.90 2.88 -1.26 -4.76 113.62 118.80 3hr5 n SER 28 Ca -0.19 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.58 3hr5 n SER 28 Cb 0.54 -1.34 0.30 0.00 -0.75 0.00 0.00 64.21 62.96 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 1.96 4.23 -4.68 2.46 4.77 -0.39 -4.93 117.00 120.42 3hr5 n LEU 29 Ca 0.12 -2.50 -0.42 0.00 -0.03 0.00 0.00 56.01 53.18 3hr5 n LEU 29 Cb 0.29 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3hr5 n LEU 29 CO 0.62 0.76 0.69 0.68 -1.33 0.00 0.00 177.39 178.80 3hr5 s VAL 30 N -1.93 4.84 0.71 4.08 -7.23 -1.26 -3.47 120.40 116.14 3hr5 s VAL 30 Ca 0.43 1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 62.29 3hr5 s VAL 30 Cb 0.29 -4.21 0.01 0.00 0.56 0.00 0.00 36.38 33.04 3hr5 s VAL 30 CO 0.19 0.01 1.08 -2.28 -0.31 0.00 0.00 175.10 173.79 3hr5 s HIS 31 N 2.12 3.25 0.37 2.82 2.46 0.80 -4.93 115.29 122.17 3hr5 s HIS 31 Ca 0.42 1.17 0.14 0.00 0.47 0.00 0.00 55.06 57.26 3hr5 s HIS 31 Cb -0.17 -2.98 0.98 0.00 -0.13 0.00 0.00 32.58 30.27 3hr5 s HIS 31 CO 0.14 -1.21 1.78 -0.91 -2.47 0.00 0.00 174.74 172.07 3hr5 h ASN 32 N -0.69 0.56 0.00 9.88 2.35 -1.95 -0.86 115.58 124.86 3hr5 h ASN 32 Ca -0.45 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3hr5 h ASN 32 Cb 1.24 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3hr5 h ASN 32 CO 0.62 0.15 0.00 -0.46 -1.65 0.00 0.00 177.43 176.08 3hr5 n ASN 33 N -4.68 0.00 0.00 5.81 0.23 -1.26 -4.89 115.26 110.46 3hr5 n ASN 33 Ca 0.24 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 3hr5 n ASN 33 Cb 0.76 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 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 -0.87 0.00 -1.78 -2.53 0.00 -0.33 -5.04 120.51 109.96 3hr5 n ALA 34 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 3hr5 n ALA 34 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.24 6.14 -0.21 0.00 0.01 -1.26 -4.69 114.94 111.69 3hr5 s ASN 35 Ca 0.00 1.55 0.01 0.00 -0.71 0.00 0.00 52.86 53.71 3hr5 s ASN 35 Cb 0.00 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.21 3hr5 s ASN 35 CO 0.00 -0.93 -0.12 0.42 -1.51 0.00 0.00 177.10 174.96 3hr5 s THR 36 N -2.90 1.84 -1.28 1.60 -4.23 -1.26 -0.14 115.64 109.27 3hr5 s THR 36 Ca 0.58 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.84 3hr5 s THR 36 Cb -0.12 -1.89 0.17 0.00 1.34 0.00 0.00 72.50 72.00 3hr5 s THR 36 CO 0.45 0.17 1.93 -1.22 -0.54 0.00 0.00 174.62 175.42 3hr5 n TYR 37 N 4.61 2.83 -4.45 3.99 4.02 -1.23 -3.99 117.16 122.95 3hr5 n TYR 37 Ca -0.15 -2.78 -0.34 0.00 -0.01 0.00 0.00 57.90 54.62 3hr5 n TYR 37 Cb 0.46 -1.90 -0.12 0.00 -0.02 0.00 0.00 39.34 37.76 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 -0.57 3.19 0.23 7.72 2.96 -1.26 -0.78 118.68 130.18 3hr5 s LEU 38 Ca 0.41 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3hr5 s LEU 38 Cb 0.11 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3hr5 s LEU 38 CO -0.00 0.18 0.02 -1.00 -1.32 0.00 0.00 176.35 174.23 3hr5 s HIS 39 N 0.30 1.51 -0.05 5.38 3.76 0.18 -0.31 115.29 126.05 3hr5 s HIS 39 Ca -0.04 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 53.89 3hr5 s HIS 39 Cb -0.14 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.67 3hr5 s HIS 39 CO 0.03 -0.14 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.07 3hr5 s TRP 40 N -3.54 1.45 0.15 1.40 0.52 0.12 0.25 118.94 119.30 3hr5 s TRP 40 Ca 0.30 -0.48 0.09 0.00 0.02 0.00 0.00 56.10 56.03 3hr5 s TRP 40 Cb 0.06 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 3hr5 s TRP 40 CO 0.09 -0.22 -0.16 0.71 0.02 0.00 0.00 176.95 177.39 3hr5 s TYR 41 N 0.44 2.54 -0.13 -1.98 2.02 0.40 -1.02 117.35 119.61 3hr5 s TYR 41 Ca -0.10 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3hr5 s TYR 41 Cb -0.14 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3hr5 s TYR 41 CO 0.03 0.45 -0.21 -1.14 -1.57 0.00 0.00 175.55 173.11 3hr5 s GLN 42 N -2.48 2.91 -0.20 -0.62 0.74 -0.06 -1.23 119.66 118.72 3hr5 s GLN 42 Ca 0.21 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.82 3hr5 s GLN 42 Cb -0.10 -2.35 0.04 0.00 1.10 0.00 0.00 33.01 31.70 3hr5 s GLN 42 CO 0.12 -0.01 -0.13 -1.14 -0.55 0.00 0.00 175.29 173.58 3hr5 s GLN 43 N 0.82 2.29 0.37 1.67 0.74 0.19 -1.30 119.66 124.44 3hr5 s GLN 43 Ca -0.07 -0.88 -0.13 0.00 0.05 0.00 0.00 55.36 54.33 3hr5 s GLN 43 Cb -0.16 -2.47 -0.08 0.00 1.10 0.00 0.00 33.01 31.40 3hr5 s GLN 43 CO -0.02 -0.38 0.76 0.15 -0.55 0.00 0.00 175.29 175.26 3hr5 s LYS 44 N 1.34 3.91 0.44 1.67 1.02 -1.26 -1.53 119.74 125.33 3hr5 s LYS 44 Ca -0.00 0.61 -0.26 0.00 0.02 0.00 0.00 55.97 56.34 3hr5 s LYS 44 Cb -0.16 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 3hr5 s LYS 44 CO -0.09 0.05 1.44 -2.14 -0.92 0.00 0.00 175.35 173.70 3hr5 s PRO 45 N -3.39 3.73 0.00 -1.68 0.02 -1.26 -1.27 135.00 131.14 3hr5 s PRO 45 Ca 0.53 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.01 3hr5 s PRO 45 Cb -0.10 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3hr5 s PRO 45 CO 0.24 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3hr5 n GLY 46 N 0.56 0.94 3.54 0.52 0.00 -1.26 -4.98 105.19 104.51 3hr5 n GLY 46 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 1.92 0.52 1.61 -0.14 -0.40 -5.12 119.74 117.85 3hr5 s LYS 47 Ca 0.00 -1.50 -0.22 0.00 -1.36 0.00 0.00 55.97 52.89 3hr5 s LYS 47 Cb 0.00 -1.99 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 3hr5 s LYS 47 CO 0.00 0.38 1.31 0.00 -0.76 0.00 0.00 175.35 176.28 3hr5 s ALA 48 N -2.11 2.86 0.86 5.17 0.00 -1.26 -4.53 121.76 122.75 3hr5 s ALA 48 Ca 0.28 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3hr5 s ALA 48 Cb -0.07 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.64 3hr5 s ALA 48 CO 0.16 -1.20 1.15 -2.30 0.00 0.00 0.00 175.76 173.56 3hr5 n PRO 49 N -0.89 -0.12 -4.13 0.00 -0.02 -1.26 -4.55 135.00 124.02 3hr5 n PRO 49 Ca 0.10 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.45 3hr5 n PRO 49 Cb 0.46 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 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 -4.32 0.48 -0.08 -0.52 1.02 -0.42 -4.95 119.74 110.95 3hr5 s LYS 50 Ca 0.70 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.25 3hr5 s LYS 50 Cb -0.26 -0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 3hr5 s LYS 50 CO 0.55 0.05 1.36 -1.17 -0.92 0.00 0.00 175.35 175.22 3hr5 s LEU 51 N 0.20 4.26 -0.19 3.17 2.96 -1.26 -0.88 118.68 126.94 3hr5 s LEU 51 Ca -0.02 1.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.66 3hr5 s LEU 51 Cb -0.06 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 3hr5 s LEU 51 CO -0.00 -0.75 -0.27 0.18 -1.32 0.00 0.00 176.35 174.18 3hr5 n LEU 52 N 6.17 1.91 -4.05 -0.68 4.77 -0.19 -4.68 117.00 120.24 3hr5 n LEU 52 Ca 0.14 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 56.29 3hr5 n LEU 52 Cb 0.44 -0.80 -0.16 0.00 -2.33 0.00 0.00 43.42 40.57 3hr5 n LEU 52 CO 0.58 -0.14 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.39 3hr5 s ILE 53 N -2.65 1.13 0.18 -0.08 -1.09 -1.11 -1.68 121.20 115.90 3hr5 s ILE 53 Ca -0.27 -0.52 0.08 0.00 -2.23 0.00 0.00 60.65 57.71 3hr5 s ILE 53 Cb 0.05 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 3hr5 s ILE 53 CO 0.40 0.34 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.57 3hr5 s TYR 54 N 0.35 1.77 -1.38 3.97 1.13 -0.19 -0.70 117.35 122.30 3hr5 s TYR 54 Ca -0.08 -0.50 -0.16 0.00 -1.41 0.00 0.00 57.07 54.92 3hr5 s TYR 54 Cb -0.13 -0.87 0.02 0.00 -1.10 0.00 0.00 41.96 39.89 3hr5 s TYR 54 CO 0.02 0.34 0.36 1.63 -2.51 0.00 0.00 175.55 175.39 3hr5 n LYS 55 N 0.10 -0.82 0.00 -3.49 5.02 -1.13 -2.06 118.16 115.78 3hr5 n LYS 55 Ca -0.12 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hr5 n LYS 55 Cb 0.58 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 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 -4.77 0.00 0.00 -0.18 0.31 0.57 -4.14 118.33 110.11 3hr5 n VAL 56 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3hr5 n VAL 56 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 3.40 0.20 -4.72 4.52 3.41 -1.21 -3.76 113.62 115.47 3hr5 n SER 57 Ca 0.00 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.93 3hr5 n SER 57 Cb 0.00 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.63 7.26 -0.12 4.04 0.01 -0.88 -4.35 114.94 120.28 3hr5 s ASN 58 Ca 0.00 1.52 -0.25 0.00 -0.71 0.00 0.00 52.86 53.42 3hr5 s ASN 58 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 3hr5 s ASN 58 CO 0.00 -0.13 0.80 -0.13 -1.51 0.00 0.00 177.10 176.12 3hr5 s ARG 59 N 0.57 4.37 0.74 -0.60 0.52 -1.26 -1.02 118.95 122.27 3hr5 s ARG 59 Ca 0.45 1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 56.53 3hr5 s ARG 59 Cb -0.20 -3.52 0.05 0.00 0.52 0.00 0.00 34.95 31.79 3hr5 s ARG 59 CO 0.25 -0.16 1.12 0.12 0.02 0.00 0.00 175.30 176.64 3hr5 s PHE 60 N 1.55 2.43 -0.09 -0.53 2.19 -0.68 -4.94 117.98 117.91 3hr5 s PHE 60 Ca 0.39 1.59 -0.37 0.00 0.33 0.00 0.00 56.93 58.86 3hr5 s PHE 60 Cb -0.17 -3.17 -0.15 0.00 -1.31 0.00 0.00 43.02 38.22 3hr5 s PHE 60 CO 0.16 -1.96 1.63 0.43 1.83 0.00 0.00 175.22 177.31 3hr5 n SER 61 N -3.13 2.42 0.00 6.13 7.64 -1.26 -2.77 113.62 122.64 3hr5 n SER 61 Ca 0.10 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3hr5 n SER 61 Cb 0.52 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 3.64 2.12 3.71 0.23 0.00 -1.26 -5.06 105.19 108.57 3hr5 n GLY 62 Ca 0.22 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3hr5 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hr5 s VAL 63 N -2.28 4.27 0.76 1.61 -7.23 -1.12 -5.00 120.40 111.41 3hr5 s VAL 63 Ca 0.00 1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 61.64 3hr5 s VAL 63 Cb 0.00 -4.04 -0.03 0.00 0.56 0.00 0.00 36.38 32.87 3hr5 s VAL 63 CO 0.00 0.10 0.49 -2.65 -0.31 0.00 0.00 175.10 172.73 3hr5 n PRO 64 N 4.19 0.21 0.00 4.82 -0.02 -1.26 -4.89 135.00 138.05 3hr5 n PRO 64 Ca 0.09 0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 3hr5 n PRO 64 Cb 0.47 -1.82 0.74 0.00 -0.02 0.00 0.00 33.50 32.88 3hr5 n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hr5 n SER 65 N -0.36 0.00 0.24 2.55 3.41 -1.26 -3.22 113.62 114.98 3hr5 n SER 65 Ca 0.09 -0.41 0.15 0.00 -0.26 0.00 0.00 58.87 58.45 3hr5 n SER 65 Cb 0.50 -0.17 0.57 0.00 -0.26 0.00 0.00 64.21 64.85 3hr5 n SER 65 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3hr5 h ARG 66 N 0.00 0.00 -5.71 4.33 0.11 -1.93 -3.42 114.38 107.76 3hr5 h ARG 66 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3hr5 h ARG 66 Cb 0.16 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.15 3hr5 h ARG 66 CO 0.00 0.00 -0.03 -0.06 0.10 0.00 0.00 179.97 179.98 3hr5 s PHE 67 N -3.52 3.46 0.05 4.08 0.08 -1.20 -0.92 117.98 120.02 3hr5 s PHE 67 Ca 0.03 0.92 -0.02 0.00 0.12 0.00 0.00 56.93 57.98 3hr5 s PHE 67 Cb 0.09 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 3hr5 s PHE 67 CO 0.54 0.01 0.00 -1.54 -0.10 0.00 0.00 175.22 174.13 3hr5 s SER 68 N 0.91 0.43 0.08 1.36 1.04 -0.17 -4.94 113.70 112.42 3hr5 s SER 68 Ca 0.28 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.85 3hr5 s SER 68 Cb -0.16 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3hr5 s SER 68 CO 0.11 -0.61 -0.21 -0.83 0.98 0.00 0.00 173.24 172.69 3hr5 s GLY 69 N -2.87 1.20 0.28 7.32 0.00 -1.26 -1.22 107.32 110.77 3hr5 s GLY 69 Ca 0.06 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 3hr5 s GLY 69 CO -0.10 -1.16 0.40 -1.35 0.00 0.00 0.00 173.10 170.89 3hr5 s SER 70 N -1.66 0.46 0.00 1.64 1.04 -0.68 -4.34 113.70 110.16 3hr5 s SER 70 Ca 0.07 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3hr5 s SER 70 Cb -0.10 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3hr5 s SER 70 CO 0.03 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3hr5 n GLY 71 N -0.45 1.73 3.36 7.32 0.00 -1.26 -1.14 105.19 114.75 3hr5 n GLY 71 Ca 0.01 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.40 0.00 1.61 1.04 -0.30 -4.95 113.70 110.70 3hr5 s SER 72 Ca 0.00 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.85 3hr5 s SER 72 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3hr5 s SER 72 CO 0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3hr5 n GLY 73 N 1.31 -0.05 0.00 7.32 0.00 -1.26 -1.87 105.19 110.64 3hr5 n GLY 73 Ca -0.20 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hr5 n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hr5 n THR 74 N 0.00 0.00 -5.11 2.61 -1.04 -1.26 -1.26 114.28 108.22 3hr5 n THR 74 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3hr5 n THR 74 Cb 0.00 -0.80 -0.16 0.00 -1.82 0.00 0.00 70.33 67.55 3hr5 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hr5 s ASP 75 N -3.14 2.67 -0.00 8.00 1.01 -0.78 -1.18 116.67 123.25 3hr5 s ASP 75 Ca 0.00 -0.43 -0.05 0.00 0.71 0.00 0.00 52.55 52.79 3hr5 s ASP 75 Cb 0.00 -0.52 -0.00 0.00 1.01 0.00 0.00 42.92 43.41 3hr5 s ASP 75 CO 0.00 0.24 0.09 -0.36 0.21 0.00 0.00 175.17 175.35 3hr5 s PHE 76 N -0.30 0.06 -0.03 4.23 0.40 -0.70 -1.15 117.98 120.48 3hr5 s PHE 76 Ca 0.02 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3hr5 s PHE 76 Cb -0.11 -0.06 0.00 0.00 0.51 0.00 0.00 43.02 43.36 3hr5 s PHE 76 CO 0.01 -0.21 -0.11 0.99 0.70 0.00 0.00 175.22 176.60 3hr5 s THR 77 N -1.06 0.96 -0.20 0.64 2.01 -0.29 -0.73 115.64 116.97 3hr5 s THR 77 Ca -0.12 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3hr5 s THR 77 Cb -0.07 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3hr5 s THR 77 CO 0.01 0.29 0.03 -0.22 -0.69 0.00 0.00 174.62 174.04 3hr5 s LEU 78 N 0.22 3.49 -0.10 4.42 2.96 0.81 -1.68 118.68 128.79 3hr5 s LEU 78 Ca -0.04 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3hr5 s LEU 78 Cb -0.10 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3hr5 s LEU 78 CO 0.01 0.10 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.08 3hr5 s THR 79 N 0.80 2.70 -0.36 3.68 2.01 -0.36 -0.56 115.64 123.55 3hr5 s THR 79 Ca 0.02 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3hr5 s THR 79 Cb -0.14 -2.09 0.07 0.00 0.01 0.00 0.00 72.50 70.35 3hr5 s THR 79 CO 0.02 0.55 0.13 -0.63 -0.69 0.00 0.00 174.62 173.99 3hr5 s ILE 80 N 0.16 3.48 -0.73 1.82 1.01 -0.13 -1.00 121.20 125.82 3hr5 s ILE 80 Ca -0.09 -1.50 0.24 0.00 0.00 0.00 0.00 60.65 59.29 3hr5 s ILE 80 Cb -0.16 -3.12 0.24 0.00 0.01 0.00 0.00 42.46 39.43 3hr5 s ILE 80 CO 0.06 -0.35 1.73 -1.54 0.00 0.00 0.00 174.94 174.83 3hr5 n SER 81 N 4.71 0.51 -3.27 3.58 3.41 -0.10 -0.29 113.62 122.17 3hr5 n SER 81 Ca -0.09 0.58 -0.06 0.00 -0.26 0.00 0.00 58.87 59.04 3hr5 n SER 81 Cb 0.43 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 3hr5 n SER 81 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hr5 s SER 82 N -3.94 -0.36 0.32 4.04 0.15 -1.22 -4.00 113.70 108.69 3hr5 s SER 82 Ca 0.08 -0.97 -0.29 0.00 0.70 0.00 0.00 55.95 55.47 3hr5 s SER 82 Cb 0.12 1.37 -0.11 0.00 -1.71 0.00 0.00 66.02 65.68 3hr5 s SER 82 CO 0.46 -0.23 1.57 -0.22 1.20 0.00 0.00 173.24 176.02 3hr5 s LEU 83 N 1.83 4.33 0.18 3.45 2.96 -0.45 -4.60 118.68 126.39 3hr5 s LEU 83 Ca 0.15 3.00 0.11 0.00 -0.22 0.00 0.00 54.13 57.17 3hr5 s LEU 83 Cb -0.09 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3hr5 s LEU 83 CO -0.09 -0.92 -0.23 -1.10 -1.32 0.00 0.00 176.35 172.69 3hr5 s GLN 84 N -0.98 1.55 0.56 1.98 -1.52 -1.26 -0.43 119.66 119.56 3hr5 s GLN 84 Ca 0.60 -1.47 0.26 0.00 -1.95 0.00 0.00 55.36 52.80 3hr5 s GLN 84 Cb -0.48 -1.89 1.55 0.00 -0.22 0.00 0.00 33.01 31.98 3hr5 s GLN 84 CO 0.53 0.41 2.11 -1.35 -0.25 0.00 0.00 175.29 176.74 3hr5 h PRO 85 N 3.29 0.00 0.00 2.91 0.11 -1.95 0.39 132.00 136.75 3hr5 h PRO 85 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hr5 h PRO 85 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hr5 h PRO 85 CO 0.47 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.41 3hr5 n GLU 86 N -4.06 0.26 -0.01 1.05 0.00 -1.26 -3.43 120.64 113.19 3hr5 n GLU 86 Ca 0.02 0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.31 3hr5 n GLU 86 Cb 0.30 -1.50 0.67 0.00 0.00 0.00 0.00 31.44 30.91 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 -1.36 0.24 -4.60 -1.84 8.00 0.13 -4.79 116.55 112.33 3hr5 n ASP 87 Ca 0.11 -1.31 -0.43 0.00 0.71 0.00 0.00 54.79 53.87 3hr5 n ASP 87 Cb 0.27 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.70 2.01 -3.60 1.24 -0.00 -1.22 -4.82 117.46 110.36 3hr5 n PHE 88 Ca 0.18 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.45 57.46 3hr5 n PHE 88 Cb 0.12 -2.73 -0.01 0.00 -0.00 0.00 0.00 39.48 36.86 3hr5 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hr5 s ALA 89 N 7.90 -2.08 -0.07 3.13 0.00 -1.15 -4.78 121.76 124.70 3hr5 s ALA 89 Ca 1.00 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 54.01 3hr5 s ALA 89 Cb -0.36 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3hr5 s ALA 89 CO 0.36 -0.78 0.34 0.99 0.00 0.00 0.00 175.76 176.67 3hr5 s THR 90 N -2.52 5.20 -0.06 0.00 2.01 -0.58 -1.19 115.64 118.49 3hr5 s THR 90 Ca 0.11 0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.78 3hr5 s THR 90 Cb 0.01 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 3hr5 s THR 90 CO -0.04 0.52 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.00 3hr5 s TYR 91 N -0.52 2.85 -0.05 4.92 1.51 0.29 -0.64 117.35 125.70 3hr5 s TYR 91 Ca 0.20 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3hr5 s TYR 91 Cb -0.15 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.03 3hr5 s TYR 91 CO 0.09 0.27 -0.09 0.71 -1.11 0.00 0.00 175.55 175.42 3hr5 s TYR 92 N -0.74 1.11 0.57 2.71 1.51 -0.36 -0.12 117.35 122.02 3hr5 s TYR 92 Ca 0.11 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.72 3hr5 s TYR 92 Cb -0.11 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 3hr5 s TYR 92 CO 0.01 -0.22 0.93 0.00 -1.11 0.00 0.00 175.55 175.16 3hr5 s SER 94 N -4.16 -0.60 -0.04 0.00 1.04 0.14 -1.61 113.70 108.48 3hr5 s SER 94 Ca 0.52 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.65 3hr5 s SER 94 Cb -0.11 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3hr5 s SER 94 CO 0.50 -0.56 -0.20 0.00 0.98 0.00 0.00 173.24 173.95 3hr5 s GLN 95 N -1.22 2.31 -0.00 4.02 1.03 -0.46 0.48 119.66 125.83 3hr5 s GLN 95 Ca -0.09 -0.82 0.09 0.00 0.04 0.00 0.00 55.36 54.59 3hr5 s GLN 95 Cb -0.00 -2.21 -0.11 0.00 0.03 0.00 0.00 33.01 30.73 3hr5 s GLN 95 CO 0.08 0.58 0.38 0.09 -2.54 0.00 0.00 175.29 173.88 3hr5 n ASN 96 N 2.39 0.66 0.18 12.60 5.03 0.04 -3.05 115.26 133.12 3hr5 n ASN 96 Ca -0.17 -0.65 0.03 0.00 0.87 0.00 0.00 54.58 54.66 3hr5 n ASN 96 Cb 0.52 1.04 0.35 0.00 -1.02 0.00 0.00 39.78 40.66 3hr5 n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hr5 h THR 97 N 0.00 1.23 -3.41 3.41 1.03 -1.87 -3.44 112.91 109.85 3hr5 h THR 97 Ca 0.00 -1.38 -0.50 0.00 -0.01 0.00 0.00 66.41 64.52 3hr5 h THR 97 Cb 0.24 1.75 -0.18 0.00 -1.07 0.00 0.00 68.15 68.89 3hr5 h THR 97 CO 0.00 0.39 -0.78 -0.76 -0.01 0.00 0.00 175.52 174.36 3hr5 s LEU 98 N -7.98 2.42 -0.18 0.00 1.02 -1.26 -4.94 118.68 107.76 3hr5 s LEU 98 Ca -0.02 -0.84 -0.08 0.00 0.02 0.00 0.00 54.13 53.21 3hr5 s LEU 98 Cb 0.14 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 3hr5 s LEU 98 CO 0.72 -0.05 0.08 -0.69 0.02 0.00 0.00 176.35 176.43 3hr5 s VAL 99 N -1.99 4.95 0.64 -1.59 1.01 -1.26 -3.26 120.40 118.89 3hr5 s VAL 99 Ca 0.13 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 3hr5 s VAL 99 Cb -0.06 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3hr5 s VAL 99 CO 0.06 0.47 1.09 -2.16 0.00 0.00 0.00 175.10 174.56 3hr5 s PRO 100 N 0.22 3.00 0.37 2.72 0.04 -1.26 -4.97 135.00 135.12 3hr5 s PRO 100 Ca 0.05 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 3hr5 s PRO 100 Cb -0.12 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3hr5 s PRO 100 CO -0.00 -1.08 1.11 -1.58 0.04 0.00 0.00 177.00 175.49 3hr5 s TRP 101 N -2.43 3.28 0.06 0.56 0.52 -1.20 -4.80 118.94 114.93 3hr5 s TRP 101 Ca 0.65 1.62 0.01 0.00 0.02 0.00 0.00 56.10 58.40 3hr5 s TRP 101 Cb -0.18 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 3hr5 s TRP 101 CO 0.41 -0.87 -0.05 0.95 0.02 0.00 0.00 176.95 177.40 3hr5 s THR 102 N -1.43 0.45 0.13 2.01 -4.23 -1.17 -5.01 115.64 106.38 3hr5 s THR 102 Ca 0.54 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.60 3hr5 s THR 102 Cb -0.28 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3hr5 s THR 102 CO 0.35 -0.73 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.12 3hr5 s PHE 103 N -2.81 1.97 1.13 3.99 0.08 -1.26 -1.35 117.98 119.72 3hr5 s PHE 103 Ca 0.01 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 3hr5 s PHE 103 Cb -0.00 -1.05 0.25 0.00 -0.57 0.00 0.00 43.02 41.65 3hr5 s PHE 103 CO -0.04 0.29 1.07 0.20 -0.10 0.00 0.00 175.22 176.64 3hr5 s GLY 104 N -2.13 1.55 0.03 4.36 0.00 -0.63 -4.60 107.32 105.90 3hr5 s GLY 104 Ca 0.11 -0.57 0.28 0.00 0.00 0.00 0.00 44.72 44.54 3hr5 s GLY 104 CO 0.06 0.18 1.81 0.61 0.00 0.00 0.00 173.10 175.76 3hr5 n GLN 105 N -4.62 0.05 0.00 2.90 0.00 -1.26 -4.81 117.38 109.64 3hr5 n GLN 105 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.11 3hr5 n GLN 105 Cb 0.58 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.27 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 2.25 3.02 2.61 0.00 -1.26 -5.05 105.19 108.22 3hr5 n GLY 106 Ca 0.06 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.50 1.59 0.02 2.61 2.01 0.82 -4.70 115.64 116.50 3hr5 s THR 107 Ca 0.00 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 3hr5 s THR 107 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3hr5 s THR 107 CO 0.00 0.40 1.03 -0.75 -0.69 0.00 0.00 174.62 174.61 3hr5 s LYS 108 N 1.47 4.54 -0.13 4.92 2.36 0.25 -0.55 119.74 132.59 3hr5 s LYS 108 Ca 0.04 1.51 0.03 0.00 -2.55 0.00 0.00 55.97 54.99 3hr5 s LYS 108 Cb -0.14 -3.42 0.01 0.00 -1.05 0.00 0.00 37.83 33.23 3hr5 s LYS 108 CO -0.10 -0.08 -0.22 0.08 1.55 0.00 0.00 175.35 176.58 3hr5 s VAL 109 N 0.94 2.12 0.09 4.02 1.01 -0.34 -0.95 120.40 127.29 3hr5 s VAL 109 Ca 0.53 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3hr5 s VAL 109 Cb -0.23 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3hr5 s VAL 109 CO 0.29 0.55 -0.20 -0.70 0.00 0.00 0.00 175.10 175.04 3hr5 s GLU 110 N 0.71 1.11 -0.11 2.72 2.12 -0.32 -2.94 118.70 121.99 3hr5 s GLU 110 Ca -0.10 -1.09 -0.08 0.00 0.36 0.00 0.00 54.97 54.06 3hr5 s GLU 110 Cb -0.16 -1.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 3hr5 s GLU 110 CO 0.01 0.31 0.18 0.96 -0.54 0.00 0.00 175.26 176.18 3hr5 s ILE 111 N -1.11 5.43 0.33 -3.70 -4.36 -1.26 -2.29 121.20 114.25 3hr5 s ILE 111 Ca 0.05 0.30 -0.26 0.00 -0.26 0.00 0.00 60.65 60.48 3hr5 s ILE 111 Cb -0.10 -3.45 -0.10 0.00 1.25 0.00 0.00 42.46 40.07 3hr5 s ILE 111 CO 0.04 0.60 0.99 -0.75 0.24 0.00 0.00 174.94 176.06 3hr5 s LYS 112 N -0.94 4.49 0.26 0.37 2.20 0.62 -4.84 119.74 121.90 3hr5 s LYS 112 Ca 0.16 1.43 0.02 0.00 -0.36 0.00 0.00 55.97 57.22 3hr5 s LYS 112 Cb -0.13 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3hr5 s LYS 112 CO 0.05 0.17 0.17 0.50 -0.36 0.00 0.00 175.35 175.88 3hr5 s ARG 113 N -2.07 1.44 0.55 4.03 3.52 -1.26 -4.40 118.95 120.76 3hr5 s ARG 113 Ca 0.51 -1.80 -0.18 0.00 -0.13 0.00 0.00 55.73 54.13 3hr5 s ARG 113 Cb -0.21 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.28 3hr5 s ARG 113 CO 0.27 -0.46 1.07 0.95 -0.81 0.00 0.00 175.30 176.32 3hr5 s THR 114 N -3.83 3.64 0.20 4.11 -4.23 -1.26 -4.97 115.64 109.31 3hr5 s THR 114 Ca 0.39 0.90 -0.32 0.00 -1.18 0.00 0.00 61.69 61.47 3hr5 s THR 114 Cb 0.05 -3.37 -0.13 0.00 1.34 0.00 0.00 72.50 70.40 3hr5 s THR 114 CO 0.17 -0.34 1.65 0.52 -0.54 0.00 0.00 174.62 176.08 3hr5 n VAL 115 N -1.57 0.15 -4.26 2.29 0.31 -1.26 -4.77 118.33 109.22 3hr5 n VAL 115 Ca 0.10 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.13 3hr5 n VAL 115 Cb 0.52 -1.82 -0.17 0.00 -0.91 0.00 0.00 33.84 31.47 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 0.91 1.35 0.48 3.52 0.00 -0.49 -4.92 121.76 122.61 3hr5 s ALA 116 Ca 0.75 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 3hr5 s ALA 116 Cb -0.57 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.73 3hr5 s ALA 116 CO 0.36 -0.14 1.19 0.00 0.00 0.00 0.00 175.76 177.17 3hr5 s ALA 117 N 1.16 2.92 0.43 0.00 0.00 -1.26 -0.58 121.76 124.42 3hr5 s ALA 117 Ca -0.05 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.67 3hr5 s ALA 117 Cb -0.14 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3hr5 s ALA 117 CO -0.02 -0.78 1.02 -1.25 0.00 0.00 0.00 175.76 174.73 3hr5 s PRO 118 N -2.79 4.08 0.03 0.00 0.04 -1.26 -4.51 135.00 130.58 3hr5 s PRO 118 Ca 0.66 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 3hr5 s PRO 118 Cb -0.30 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 3hr5 s PRO 118 CO 0.36 -0.19 0.58 -1.12 0.04 0.00 0.00 177.00 176.67 3hr5 s SER 119 N -1.85 7.02 -0.11 6.66 0.01 -0.87 -4.85 113.70 119.70 3hr5 s SER 119 Ca 0.62 1.21 0.03 0.00 1.31 0.00 0.00 55.95 59.12 3hr5 s SER 119 Cb -0.17 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3hr5 s SER 119 CO 0.21 0.18 -0.23 -0.69 0.41 0.00 0.00 173.24 173.13 3hr5 s VAL 120 N -0.61 2.02 -0.02 3.43 1.01 -1.26 -0.99 120.40 123.97 3hr5 s VAL 120 Ca 0.30 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3hr5 s VAL 120 Cb -0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3hr5 s VAL 120 CO 0.18 0.55 -0.12 -0.36 0.00 0.00 0.00 175.10 175.35 3hr5 s PHE 121 N 0.55 1.16 -0.03 5.22 0.08 0.24 -4.98 117.98 120.23 3hr5 s PHE 121 Ca -0.14 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 56.68 3hr5 s PHE 121 Cb -0.17 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3hr5 s PHE 121 CO 0.04 -0.08 -0.12 -1.50 -0.10 0.00 0.00 175.22 173.46 3hr5 s ILE 122 N -0.03 3.24 -0.15 0.64 2.07 -1.26 0.38 121.20 126.08 3hr5 s ILE 122 Ca 0.00 -0.77 -0.01 0.00 -1.41 0.00 0.00 60.65 58.46 3hr5 s ILE 122 Cb -0.08 -2.32 0.04 0.00 0.13 0.00 0.00 42.46 40.23 3hr5 s ILE 122 CO 0.00 0.51 -0.04 -0.36 -1.91 0.00 0.00 174.94 173.15 3hr5 s PHE 123 N -0.83 1.52 0.86 3.50 0.08 0.37 -5.01 117.98 118.47 3hr5 s PHE 123 Ca 0.13 -0.94 -0.10 0.00 0.12 0.00 0.00 56.93 56.14 3hr5 s PHE 123 Cb -0.11 -1.23 0.11 0.00 -0.57 0.00 0.00 43.02 41.23 3hr5 s PHE 123 CO 0.03 -0.58 1.13 -1.25 -0.10 0.00 0.00 175.22 174.45 3hr5 s PRO 124 N 1.69 1.46 0.56 0.24 0.04 -1.26 -1.90 135.00 135.84 3hr5 s PRO 124 Ca 0.01 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 3hr5 s PRO 124 Cb -0.15 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3hr5 s PRO 124 CO -0.08 -2.28 1.26 -1.25 0.04 0.00 0.00 177.00 174.70 3hr5 s PRO 125 N -4.69 3.09 0.53 0.56 0.04 -1.18 -4.85 135.00 128.50 3hr5 s PRO 125 Ca 0.65 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 3hr5 s PRO 125 Cb -0.21 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 3hr5 s PRO 125 CO 0.57 -1.16 1.04 -1.54 0.04 0.00 0.00 177.00 175.95 3hr5 s SER 126 N -1.31 6.14 0.31 6.66 1.04 -1.26 -4.93 113.70 120.35 3hr5 s SER 126 Ca 0.74 1.87 0.02 0.00 0.48 0.00 0.00 55.95 59.06 3hr5 s SER 126 Cb -0.34 -2.55 0.58 0.00 0.10 0.00 0.00 66.02 63.81 3hr5 s SER 126 CO 0.39 -0.92 1.90 0.44 0.98 0.00 0.00 173.24 176.03 3hr5 h ASP 127 N 1.10 0.86 -0.36 7.02 3.32 -1.99 -1.64 116.42 124.73 3hr5 h ASP 127 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hr5 h ASP 127 Cb 1.22 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3hr5 h ASP 127 CO 0.58 0.54 0.22 1.05 -1.72 0.00 0.00 179.24 179.91 3hr5 h GLU 128 N 0.97 0.49 -0.40 3.56 4.11 -1.99 -0.78 114.58 120.54 3hr5 h GLU 128 Ca 0.40 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.77 3hr5 h GLU 128 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3hr5 h GLU 128 CO -0.16 0.35 0.19 0.37 0.07 0.00 0.00 179.01 179.83 3hr5 h GLN 129 N 0.48 0.57 -0.62 1.06 4.15 -1.77 -2.71 115.11 116.27 3hr5 h GLN 129 Ca 0.13 -0.09 0.13 0.00 0.77 0.00 0.00 58.65 59.59 3hr5 h GLN 129 Cb -0.01 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.48 3hr5 h GLN 129 CO -0.03 0.51 0.06 -0.07 -1.93 0.00 0.00 178.83 177.37 3hr5 h LEU 130 N 0.50 -0.15 -1.07 -2.39 4.07 -1.06 0.15 115.31 115.36 3hr5 h LEU 130 Ca 0.14 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.23 3hr5 h LEU 130 Cb 0.12 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3hr5 h LEU 130 CO -0.02 -0.07 0.40 0.11 -1.08 0.00 0.00 178.44 177.79 3hr5 h LYS 131 N 0.18 0.00 -0.02 1.13 1.57 -0.80 -1.20 116.57 117.42 3hr5 h LYS 131 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3hr5 h LYS 131 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hr5 h LYS 131 CO -0.48 0.00 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.21 3hr5 n SER 132 N -2.31 2.40 0.00 0.86 3.41 0.52 -5.00 113.62 113.49 3hr5 n SER 132 Ca -0.01 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3hr5 n SER 132 Cb 0.43 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3hr5 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hr5 n GLY 133 N 1.06 0.45 3.27 5.00 0.00 -0.45 -5.08 105.19 109.44 3hr5 n GLY 133 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 1.42 -0.07 2.61 2.01 -1.25 -1.43 115.64 116.93 3hr5 s THR 134 Ca 0.00 -1.89 0.03 0.00 0.31 0.00 0.00 61.69 60.14 3hr5 s THR 134 Cb 0.00 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.81 3hr5 s THR 134 CO 0.00 -0.50 -0.13 0.00 -0.69 0.00 0.00 174.62 173.30 3hr5 s ALA 135 N -2.49 1.35 -0.20 7.40 0.00 -0.22 -3.56 121.76 124.03 3hr5 s ALA 135 Ca 0.13 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3hr5 s ALA 135 Cb -0.03 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.55 3hr5 s ALA 135 CO 0.04 0.14 -0.14 -1.12 0.00 0.00 0.00 175.76 174.67 3hr5 s SER 136 N 0.59 3.48 -0.16 0.00 0.01 -1.26 -2.24 113.70 114.13 3hr5 s SER 136 Ca -0.14 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.10 3hr5 s SER 136 Cb -0.16 -1.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 3hr5 s SER 136 CO 0.04 -0.09 0.28 -0.69 0.41 0.00 0.00 173.24 173.18 3hr5 s VAL 137 N 1.29 5.31 -0.07 3.43 1.01 -0.57 -3.07 120.40 127.73 3hr5 s VAL 137 Ca -0.00 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.54 3hr5 s VAL 137 Cb -0.16 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3hr5 s VAL 137 CO -0.09 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.51 3hr5 s VAL 138 N 0.36 2.35 -0.15 2.92 1.01 -0.80 -0.49 120.40 125.60 3hr5 s VAL 138 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3hr5 s VAL 138 Cb -0.13 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3hr5 s VAL 138 CO 0.04 0.57 -0.20 0.00 0.00 0.00 0.00 175.10 175.50 3hr5 s LEU 140 N 1.02 3.01 -0.20 0.00 0.20 0.16 -0.21 118.68 122.66 3hr5 s LEU 140 Ca -0.03 -0.33 -0.08 0.00 0.69 0.00 0.00 54.13 54.39 3hr5 s LEU 140 Cb -0.15 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 3hr5 s LEU 140 CO -0.06 0.01 0.08 -0.76 -0.29 0.00 0.00 176.35 175.34 3hr5 s LEU 141 N 1.29 3.85 -0.12 -0.68 1.02 0.89 -0.59 118.68 124.35 3hr5 s LEU 141 Ca 0.04 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.28 3hr5 s LEU 141 Cb -0.14 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.08 3hr5 s LEU 141 CO -0.01 0.13 -0.21 0.21 0.02 0.00 0.00 176.35 176.50 3hr5 s ASN 142 N 0.62 2.88 -0.71 2.29 2.47 -0.16 -0.45 114.94 121.87 3hr5 s ASN 142 Ca 0.04 -0.53 -0.07 0.00 0.42 0.00 0.00 52.86 52.72 3hr5 s ASN 142 Cb -0.13 -1.32 0.01 0.00 -1.45 0.00 0.00 41.25 38.36 3hr5 s ASN 142 CO 0.01 0.09 0.64 0.59 -3.72 0.00 0.00 177.10 174.71 3hr5 n ASN 143 N 3.89 -6.01 -4.45 -4.21 3.02 -1.00 -2.06 115.26 104.44 3hr5 n ASN 143 Ca -0.20 -0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 53.63 3hr5 n ASN 143 Cb 0.52 -2.97 -0.10 0.00 -0.61 0.00 0.00 39.78 36.62 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 -2.73 2.25 -0.08 3.10 -0.71 -0.24 -4.44 117.98 115.13 3hr5 s PHE 144 Ca 0.08 -0.35 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 3hr5 s PHE 144 Cb -0.01 -1.00 0.03 0.00 -1.21 0.00 0.00 43.02 40.83 3hr5 s PHE 144 CO 0.84 0.66 0.21 -0.47 -1.34 0.00 0.00 175.22 175.13 3hr5 s TYR 145 N -2.43 -0.24 0.98 3.49 6.14 0.25 -1.34 117.35 124.20 3hr5 s TYR 145 Ca 0.28 0.58 -0.15 0.00 0.64 0.00 0.00 57.07 58.43 3hr5 s TYR 145 Cb -0.05 0.06 0.18 0.00 0.42 0.00 0.00 41.96 42.57 3hr5 s TYR 145 CO 0.14 -0.13 1.20 -1.25 0.64 0.00 0.00 175.55 176.14 3hr5 s PRO 146 N 0.36 0.57 0.17 4.97 0.04 -1.26 -1.39 135.00 138.46 3hr5 s PRO 146 Ca -0.02 -0.03 -0.15 0.00 0.04 0.00 0.00 61.00 60.84 3hr5 s PRO 146 Cb -0.04 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.84 3hr5 s PRO 146 CO -0.02 -2.52 1.70 -0.09 0.04 0.00 0.00 177.00 176.11 3hr5 h ARG 147 N -1.73 0.12 -6.41 4.56 1.12 -1.97 -3.43 114.38 106.65 3hr5 h ARG 147 Ca -0.47 -0.01 -0.62 0.00 -1.11 0.00 0.00 59.98 57.78 3hr5 h ARG 147 Cb 1.29 -0.03 0.05 0.00 -0.01 0.00 0.00 29.97 31.28 3hr5 h ARG 147 CO 0.49 0.08 0.73 0.39 -3.11 0.00 0.00 179.97 178.55 3hr5 n GLU 148 N -5.19 1.84 -3.64 0.20 4.71 -1.26 -4.96 120.64 112.33 3hr5 n GLU 148 Ca 0.04 0.66 -0.07 0.00 -0.01 0.00 0.00 57.16 57.78 3hr5 n GLU 148 Cb 0.23 -2.40 -0.07 0.00 -1.01 0.00 0.00 31.44 28.19 3hr5 n GLU 148 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hr5 s ALA 149 N 1.19 -1.95 -0.21 0.62 0.00 -1.26 -4.65 121.76 115.50 3hr5 s ALA 149 Ca 0.82 2.28 -0.12 0.00 0.00 0.00 0.00 51.96 54.95 3hr5 s ALA 149 Cb -0.77 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 3hr5 s ALA 149 CO 0.43 -0.36 0.21 0.21 0.00 0.00 0.00 175.76 176.25 3hr5 s LYS 150 N 1.27 4.15 -0.25 0.00 2.20 -0.56 -4.98 119.74 121.57 3hr5 s LYS 150 Ca -0.07 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3hr5 s LYS 150 Cb -0.05 -3.49 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3hr5 s LYS 150 CO -0.15 0.15 -0.09 0.08 -0.36 0.00 0.00 175.35 174.98 3hr5 s VAL 151 N 0.79 2.55 -0.09 4.02 1.01 -1.26 -0.59 120.40 126.83 3hr5 s VAL 151 Ca 0.11 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3hr5 s VAL 151 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3hr5 s VAL 151 CO 0.03 0.11 -0.16 -1.10 0.00 0.00 0.00 175.10 173.98 3hr5 s GLN 152 N 1.23 2.98 -0.11 2.72 -0.21 0.36 -4.95 119.66 121.67 3hr5 s GLN 152 Ca -0.03 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 3hr5 s GLN 152 Cb -0.18 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 3hr5 s GLN 152 CO -0.05 0.35 0.20 -1.58 -2.12 0.00 0.00 175.29 172.09 3hr5 s TRP 153 N -0.03 3.58 -0.01 0.91 0.52 -1.26 0.05 118.94 122.70 3hr5 s TRP 153 Ca -0.04 0.59 0.05 0.00 0.02 0.00 0.00 56.10 56.71 3hr5 s TRP 153 Cb -0.14 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3hr5 s TRP 153 CO 0.04 0.61 -0.15 0.15 0.02 0.00 0.00 176.95 177.62 3hr5 s LYS 154 N -0.68 1.20 -0.23 4.98 1.02 0.16 -1.10 119.74 125.09 3hr5 s LYS 154 Ca 0.16 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 3hr5 s LYS 154 Cb -0.13 -1.16 0.06 0.00 -0.52 0.00 0.00 37.83 36.09 3hr5 s LYS 154 CO 0.05 0.32 -0.01 0.08 -0.92 0.00 0.00 175.35 174.86 3hr5 s VAL 155 N -0.36 1.19 -1.41 3.17 1.01 -0.37 -1.44 120.40 122.19 3hr5 s VAL 155 Ca 0.06 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3hr5 s VAL 155 Cb -0.06 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3hr5 s VAL 155 CO -0.01 -0.19 0.36 0.47 0.00 0.00 0.00 175.10 175.73 3hr5 n ASP 156 N 4.79 -0.43 0.00 3.32 8.00 -0.73 -1.93 116.55 129.57 3hr5 n ASP 156 Ca -0.10 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3hr5 n ASP 156 Cb 0.45 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 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 -2.92 0.00 -4.69 -2.24 3.02 -1.26 -5.01 115.26 102.16 3hr5 n ASN 157 Ca -0.30 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.86 3hr5 n ASN 157 Cb 0.68 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.76 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 -3.07 3.49 -0.05 5.41 0.00 -0.81 -5.04 121.76 121.69 3hr5 s ALA 158 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3hr5 s ALA 158 Cb 0.00 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 3hr5 s ALA 158 CO 0.00 -0.32 1.17 -1.17 0.00 0.00 0.00 175.76 175.45 3hr5 s LEU 159 N 1.34 4.28 -0.08 0.00 1.98 -1.26 -1.23 118.68 123.71 3hr5 s LEU 159 Ca 0.29 1.79 -0.17 0.00 -2.89 0.00 0.00 54.13 53.15 3hr5 s LEU 159 Cb -0.16 -3.56 -0.05 0.00 0.66 0.00 0.00 46.19 43.08 3hr5 s LEU 159 CO 0.12 -0.55 0.45 -1.10 -1.89 0.00 0.00 176.35 173.38 3hr5 s GLN 160 N 2.08 4.23 -0.02 1.98 -1.52 -0.26 -4.99 119.66 121.17 3hr5 s GLN 160 Ca 0.55 0.43 0.00 0.00 -1.95 0.00 0.00 55.36 54.39 3hr5 s GLN 160 Cb -0.24 -3.37 0.03 0.00 -0.22 0.00 0.00 33.01 29.20 3hr5 s GLN 160 CO 0.22 0.31 0.03 0.45 -0.25 0.00 0.00 175.29 176.05 3hr5 s SER 161 N 0.12 0.08 0.00 5.90 0.15 -1.26 -4.58 113.70 114.11 3hr5 s SER 161 Ca 0.25 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3hr5 s SER 161 Cb -0.16 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 3hr5 s SER 161 CO 0.11 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3hr5 n GLY 162 N 4.08 1.05 0.28 9.45 0.00 -1.26 -4.91 105.19 113.89 3hr5 n GLY 162 Ca -0.26 0.00 0.09 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 2.74 -4.26 1.61 0.23 -1.26 -5.00 115.26 109.32 3hr5 n ASN 163 Ca 0.00 -3.03 -0.15 0.00 -0.53 0.00 0.00 54.58 50.87 3hr5 n ASN 163 Cb 0.00 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.15 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 1.92 0.02 0.53 1.04 -1.26 -1.44 113.70 111.94 3hr5 s SER 164 Ca 0.34 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.77 3hr5 s SER 164 Cb 0.29 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3hr5 s SER 164 CO 0.05 -0.30 -0.04 -1.10 0.98 0.00 0.00 173.24 172.82 3hr5 s GLN 165 N -3.71 0.35 0.05 4.02 -0.21 -0.35 -4.97 119.66 114.85 3hr5 s GLN 165 Ca 0.17 -0.53 0.09 0.00 0.02 0.00 0.00 55.36 55.11 3hr5 s GLN 165 Cb 0.02 -0.09 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 3hr5 s GLN 165 CO 0.02 0.01 -0.24 -1.21 -2.12 0.00 0.00 175.29 171.74 3hr5 s GLU 166 N -1.16 1.83 -0.01 2.91 2.02 -1.26 -0.77 118.70 122.25 3hr5 s GLU 166 Ca -0.10 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.80 3hr5 s GLU 166 Cb -0.08 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.13 3hr5 s GLU 166 CO -0.00 0.51 -0.04 0.45 0.02 0.00 0.00 175.26 176.20 3hr5 s SER 167 N -1.38 0.58 -0.04 -0.19 0.15 -0.37 -5.01 113.70 107.44 3hr5 s SER 167 Ca 0.13 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.74 3hr5 s SER 167 Cb -0.10 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3hr5 s SER 167 CO 0.03 0.02 -0.17 -0.69 1.20 0.00 0.00 173.24 173.63 3hr5 s VAL 168 N 0.23 1.41 0.69 4.45 1.01 -1.26 -1.41 120.40 125.51 3hr5 s VAL 168 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3hr5 s VAL 168 Cb -0.06 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3hr5 s VAL 168 CO -0.00 0.41 1.07 0.42 0.00 0.00 0.00 175.10 176.99 3hr5 s THR 169 N -0.03 3.78 0.64 3.92 -4.23 -0.78 -5.01 115.64 113.93 3hr5 s THR 169 Ca -0.02 0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3hr5 s THR 169 Cb -0.11 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 3hr5 s THR 169 CO 0.02 -0.68 1.04 -1.61 -0.54 0.00 0.00 174.62 172.85 3hr5 s GLU 170 N -4.72 3.29 0.26 3.99 0.41 -1.26 -4.55 118.70 116.12 3hr5 s GLU 170 Ca 0.61 0.93 -0.31 0.00 -0.41 0.00 0.00 54.97 55.79 3hr5 s GLU 170 Cb -0.16 -2.04 -0.13 0.00 -1.78 0.00 0.00 34.13 30.03 3hr5 s GLU 170 CO 0.50 -0.82 1.49 0.94 -0.49 0.00 0.00 175.26 176.88 3hr5 n GLN 171 N -2.70 2.32 -2.31 1.61 7.27 -1.26 -4.81 117.38 117.49 3hr5 n GLN 171 Ca 0.07 0.82 -0.42 0.00 0.07 0.00 0.00 57.00 57.54 3hr5 n GLN 171 Cb 0.54 -2.53 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 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 0.38 6.94 0.54 1.69 -1.08 -0.03 -4.89 116.67 120.22 3hr5 s ASP 172 Ca 0.66 2.04 0.32 0.00 -0.52 0.00 0.00 52.55 55.05 3hr5 s ASP 172 Cb -0.58 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 39.79 3hr5 s ASP 172 CO 0.49 -0.63 2.04 0.77 0.52 0.00 0.00 175.17 178.36 3hr5 h SER 173 N 7.43 0.00 0.00 -0.34 4.64 -1.90 0.80 113.55 124.18 3hr5 h SER 173 Ca -0.38 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.55 3hr5 h SER 173 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3hr5 h SER 173 CO 0.88 0.08 -2.46 0.29 -0.87 0.00 0.00 176.83 174.74 3hr5 n LYS 174 N -3.31 0.65 0.00 4.77 5.02 -1.26 -4.76 118.16 119.26 3hr5 n LYS 174 Ca -0.01 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 3hr5 n LYS 174 Cb 0.27 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3hr5 n LYS 174 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hr5 n ASP 175 N -3.22 0.49 -0.42 4.39 5.75 -1.22 -5.02 116.55 117.30 3hr5 n ASP 175 Ca -0.45 -0.74 -0.06 0.00 -0.01 0.00 0.00 54.79 53.53 3hr5 n ASP 175 Cb 1.00 0.86 -0.02 0.00 -1.03 0.00 0.00 41.12 41.93 3hr5 n ASP 175 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hr5 n SER 176 N -0.93 -4.03 -4.96 -1.12 7.64 0.27 -4.97 113.62 105.52 3hr5 n SER 176 Ca 0.02 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.84 3hr5 n SER 176 Cb 0.11 -2.01 0.04 0.00 -1.01 0.00 0.00 64.21 61.34 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 -2.08 2.56 0.17 0.44 -4.23 -1.26 -4.61 115.64 106.64 3hr5 s THR 177 Ca 0.00 -0.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 3hr5 s THR 177 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 3hr5 s THR 177 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 3hr5 s TYR 178 N -2.63 1.81 0.29 3.99 1.51 -0.45 -0.85 117.35 121.03 3hr5 s TYR 178 Ca 0.59 -0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 3hr5 s TYR 178 Cb -0.08 -0.89 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 3hr5 s TYR 178 CO 0.37 0.35 -0.07 -1.12 -1.11 0.00 0.00 175.55 173.97 3hr5 s SER 179 N -2.80 2.97 -0.16 2.29 0.01 -1.26 -1.08 113.70 113.68 3hr5 s SER 179 Ca 0.17 -1.19 -0.11 0.00 1.31 0.00 0.00 55.95 56.13 3hr5 s SER 179 Cb -0.05 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.02 3hr5 s SER 179 CO 0.07 -0.31 0.40 -0.22 0.41 0.00 0.00 173.24 173.59 3hr5 s LEU 180 N -3.48 0.19 0.01 2.44 2.96 0.40 -1.87 118.68 119.34 3hr5 s LEU 180 Ca 0.30 0.84 0.06 0.00 -0.22 0.00 0.00 54.13 55.11 3hr5 s LEU 180 Cb 0.03 1.34 -0.03 0.00 0.50 0.00 0.00 46.19 48.03 3hr5 s LEU 180 CO 0.13 -0.17 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.90 3hr5 s SER 181 N 0.82 4.00 -0.08 3.68 1.04 -0.50 -0.08 113.70 122.59 3hr5 s SER 181 Ca -0.05 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.08 3hr5 s SER 181 Cb -0.06 -0.75 0.02 0.00 0.10 0.00 0.00 66.02 65.32 3hr5 s SER 181 CO -0.06 0.28 -0.12 -0.55 0.98 0.00 0.00 173.24 173.77 3hr5 s SER 182 N -1.26 1.88 -0.20 7.02 0.15 0.71 -1.24 113.70 120.75 3hr5 s SER 182 Ca 0.14 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 3hr5 s SER 182 Cb -0.11 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 3hr5 s SER 182 CO 0.05 0.01 -0.14 -0.89 1.20 0.00 0.00 173.24 173.46 3hr5 s THR 183 N 0.86 2.45 -0.14 6.45 2.01 0.05 -0.11 115.64 127.21 3hr5 s THR 183 Ca -0.11 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 60.82 3hr5 s THR 183 Cb -0.15 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 3hr5 s THR 183 CO 0.01 0.42 0.35 -0.22 -0.69 0.00 0.00 174.62 174.50 3hr5 s LEU 184 N 1.32 4.27 -0.10 4.42 2.96 0.36 -1.21 118.68 130.69 3hr5 s LEU 184 Ca 0.03 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 3hr5 s LEU 184 Cb -0.14 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3hr5 s LEU 184 CO -0.09 0.09 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.93 3hr5 s THR 185 N 0.38 2.31 0.17 3.68 2.01 -0.52 -1.51 115.64 122.15 3hr5 s THR 185 Ca 0.20 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 3hr5 s THR 185 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 3hr5 s THR 185 CO 0.06 0.55 0.26 -1.48 -0.69 0.00 0.00 174.62 173.33 3hr5 s LEU 186 N 0.27 1.04 0.58 4.42 0.05 -0.95 -4.87 118.68 119.22 3hr5 s LEU 186 Ca -0.15 -0.94 -0.20 0.00 0.05 0.00 0.00 54.13 52.89 3hr5 s LEU 186 Cb -0.17 1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 45.01 3hr5 s LEU 186 CO 0.08 -0.88 1.32 -0.55 -0.55 0.00 0.00 176.35 175.76 3hr5 s SER 187 N -2.99 5.08 0.24 1.48 0.15 -1.26 -1.05 113.70 115.35 3hr5 s SER 187 Ca 0.19 2.67 -0.05 0.00 0.70 0.00 0.00 55.95 59.46 3hr5 s SER 187 Cb 0.04 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 62.16 3hr5 s SER 187 CO 0.01 -1.69 1.72 0.50 1.20 0.00 0.00 173.24 174.98 3hr5 h LYS 188 N 1.13 0.39 -0.46 5.44 3.64 -1.51 0.86 116.57 126.06 3hr5 h LYS 188 Ca -0.51 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3hr5 h LYS 188 Cb 1.31 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 3hr5 h LYS 188 CO 0.56 0.25 -0.01 0.00 -2.27 0.00 0.00 179.45 177.98 3hr5 h ALA 189 N 1.55 0.42 -0.00 5.00 0.00 -1.92 -0.50 119.26 123.80 3hr5 h ALA 189 Ca 0.40 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 3hr5 h ALA 189 Cb 0.62 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hr5 h ALA 189 CO -0.42 -0.39 -0.81 -0.44 0.00 0.00 0.00 179.25 177.19 3hr5 h ASP 190 N 0.10 0.14 -0.70 0.00 3.32 -1.81 -3.16 116.42 114.31 3hr5 h ASP 190 Ca 0.23 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3hr5 h ASP 190 Cb 0.34 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3hr5 h ASP 190 CO -0.39 0.89 0.41 0.22 -1.72 0.00 0.00 179.24 178.64 3hr5 h TYR 191 N 0.07 0.94 0.00 4.55 3.20 -0.41 -3.15 116.97 122.17 3hr5 h TYR 191 Ca -0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3hr5 h TYR 191 Cb 1.41 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3hr5 h TYR 191 CO 0.02 0.65 0.00 0.39 -1.64 0.00 0.00 178.16 177.58 3hr5 n GLU 192 N -4.52 0.26 -0.27 1.82 1.02 -0.23 -3.07 120.64 115.64 3hr5 n GLU 192 Ca 0.06 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 3hr5 n GLU 192 Cb 0.07 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.27 3hr5 n GLU 192 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hr5 n LYS 193 N -1.36 2.50 -4.25 3.49 2.85 -1.19 -4.94 118.16 115.25 3hr5 n LYS 193 Ca 0.11 -2.30 -0.19 0.00 -1.05 0.00 0.00 58.31 54.89 3hr5 n LYS 193 Cb 0.26 -1.51 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.28 1.46 -0.17 5.58 3.76 -1.17 -5.09 115.29 118.39 3hr5 s HIS 194 Ca 0.42 -0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 54.63 3hr5 s HIS 194 Cb 0.23 -0.76 -0.05 0.00 1.11 0.00 0.00 32.58 33.11 3hr5 s HIS 194 CO 0.31 0.17 -0.31 1.17 -0.85 0.00 0.00 174.74 175.23 3hr5 n LYS 195 N 0.52 0.49 -3.17 1.40 4.81 -1.26 -4.69 118.16 116.26 3hr5 n LYS 195 Ca -0.15 0.25 -0.40 0.00 -0.87 0.00 0.00 58.31 57.14 3hr5 n LYS 195 Cb 0.57 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.12 3hr5 n LYS 195 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hr5 s VAL 196 N -2.72 5.04 -0.21 3.15 1.01 -1.26 -0.89 120.40 124.51 3hr5 s VAL 196 Ca -0.25 1.06 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3hr5 s VAL 196 Cb 0.04 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hr5 s VAL 196 CO 0.38 0.11 -0.16 -0.31 0.00 0.00 0.00 175.10 175.11 3hr5 s TYR 197 N 2.04 2.97 -0.05 5.22 1.51 -0.46 -1.78 117.35 126.79 3hr5 s TYR 197 Ca 0.25 -1.92 0.02 0.00 -1.01 0.00 0.00 57.07 54.41 3hr5 s TYR 197 Cb -0.16 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.79 3hr5 s TYR 197 CO 0.09 -0.84 -0.09 0.00 -1.11 0.00 0.00 175.55 173.61 3hr5 s ALA 198 N 1.22 0.97 -0.23 3.71 0.00 -0.52 -1.25 121.76 125.66 3hr5 s ALA 198 Ca -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 3hr5 s ALA 198 Cb -0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3hr5 s ALA 198 CO -0.10 0.09 0.05 0.00 0.00 0.00 0.00 175.76 175.81 3hr5 s GLU 200 N 1.37 3.42 -0.18 0.00 2.12 0.11 -0.81 118.70 124.71 3hr5 s GLU 200 Ca 0.05 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 3hr5 s GLU 200 Cb -0.15 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 3hr5 s GLU 200 CO 0.03 -0.00 -0.06 0.08 -0.54 0.00 0.00 175.26 174.77 3hr5 s VAL 201 N 0.95 3.40 -0.19 3.70 1.01 0.87 -0.48 120.40 129.65 3hr5 s VAL 201 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hr5 s VAL 201 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3hr5 s VAL 201 CO 0.00 0.46 0.02 -0.89 0.00 0.00 0.00 175.10 174.70 3hr5 s THR 202 N 0.98 4.28 -0.09 3.92 2.01 0.25 -1.52 115.64 125.47 3hr5 s THR 202 Ca -0.00 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 3hr5 s THR 202 Cb -0.15 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3hr5 s THR 202 CO 0.00 0.44 0.51 -2.28 -0.69 0.00 0.00 174.62 172.60 3hr5 s HIS 203 N 0.75 -0.48 0.37 4.92 2.46 -1.26 -1.50 115.29 120.55 3hr5 s HIS 203 Ca 0.01 0.94 0.14 0.00 0.47 0.00 0.00 55.06 56.62 3hr5 s HIS 203 Cb -0.14 0.24 0.97 0.00 -0.13 0.00 0.00 32.58 33.52 3hr5 s HIS 203 CO 0.02 -0.43 1.79 0.37 -2.47 0.00 0.00 174.74 174.02 3hr5 h GLN 204 N 4.04 0.51 -0.01 2.88 4.15 -1.92 -2.19 115.11 122.58 3hr5 h GLN 204 Ca -0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3hr5 h GLN 204 Cb 1.16 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3hr5 h GLN 204 CO 0.32 0.34 -0.09 0.41 -1.93 0.00 0.00 178.83 177.88 3hr5 n GLY 205 N -1.43 -0.56 3.74 2.39 0.00 -1.26 -4.72 105.19 103.35 3hr5 n GLY 205 Ca 0.23 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.25 4.21 0.46 0.99 1.02 -0.83 -4.36 118.68 117.93 3hr5 s LEU 206 Ca 0.34 0.25 0.23 0.00 0.02 0.00 0.00 54.13 54.96 3hr5 s LEU 206 Cb 0.20 -2.08 1.14 0.00 0.02 0.00 0.00 46.19 45.47 3hr5 s LEU 206 CO 0.42 0.21 1.96 0.77 0.02 0.00 0.00 176.35 179.72 3hr5 h SER 207 N 6.48 0.00 -4.14 2.29 4.64 -1.84 -3.44 113.55 117.53 3hr5 h SER 207 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3hr5 h SER 207 Cb 1.16 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.03 3hr5 h SER 207 CO 0.74 0.21 0.28 -0.55 -0.87 0.00 0.00 176.83 176.63 3hr5 s SER 208 N -6.39 -0.60 0.15 4.97 0.15 -1.26 -5.14 113.70 105.59 3hr5 s SER 208 Ca -0.02 0.96 -0.33 0.00 0.70 0.00 0.00 55.95 57.25 3hr5 s SER 208 Cb 0.13 0.90 -0.16 0.00 -1.71 0.00 0.00 66.02 65.18 3hr5 s SER 208 CO 0.63 -0.35 1.18 -2.65 1.20 0.00 0.00 173.24 173.25 3hr5 n PRO 209 N 1.78 1.11 -3.42 5.44 -0.02 -1.26 -4.97 135.00 133.66 3hr5 n PRO 209 Ca -0.15 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 3hr5 n PRO 209 Cb 0.56 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.10 5.18 -0.11 -1.45 1.01 -0.58 -4.89 120.40 119.48 3hr5 s VAL 210 Ca 0.75 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 3hr5 s VAL 210 Cb -0.88 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 3hr5 s VAL 210 CO 0.52 0.40 -0.05 -0.89 0.00 0.00 0.00 175.10 175.08 3hr5 s THR 211 N 0.17 3.78 -0.15 3.92 2.01 -1.26 -0.09 115.64 124.02 3hr5 s THR 211 Ca 0.23 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.81 3hr5 s THR 211 Cb -0.15 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.78 3hr5 s THR 211 CO 0.09 0.55 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.86 3hr5 s LYS 212 N -0.27 2.68 0.12 4.92 3.01 0.01 -5.00 119.74 125.21 3hr5 s LYS 212 Ca 0.04 -0.72 -0.01 0.00 -1.01 0.00 0.00 55.97 54.28 3hr5 s LYS 212 Cb -0.13 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.33 3hr5 s LYS 212 CO 0.02 -0.17 0.04 -1.54 0.51 0.00 0.00 175.35 174.21 3hr5 s SER 213 N 1.24 0.44 0.06 2.83 1.04 -1.26 -0.27 113.70 117.78 3hr5 s SER 213 Ca 0.02 -1.17 -0.01 0.00 0.48 0.00 0.00 55.95 55.26 3hr5 s SER 213 Cb -0.14 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3hr5 s SER 213 CO -0.09 -0.69 -0.01 0.72 0.98 0.00 0.00 173.24 174.15 3hr5 s PHE 214 N -3.98 0.55 -0.24 5.02 -0.12 -0.38 -5.00 117.98 113.83 3hr5 s PHE 214 Ca 0.21 -1.07 -0.09 0.00 -0.05 0.00 0.00 56.93 55.93 3hr5 s PHE 214 Cb 0.07 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3hr5 s PHE 214 CO 0.00 -0.41 0.13 -0.80 -0.05 0.00 0.00 175.22 174.09 3hr5 s ASN 215 N -2.94 5.77 0.25 1.98 0.02 -1.26 -1.35 114.94 117.40 3hr5 s ASN 215 Ca 0.09 -0.00 -0.29 0.00 -1.02 0.00 0.00 52.86 51.64 3hr5 s ASN 215 Cb 0.08 -2.04 -0.15 0.00 0.02 0.00 0.00 41.25 39.16 3hr5 s ASN 215 CO -0.08 0.03 0.99 -1.14 0.02 0.00 0.00 177.10 176.92 3hr5 n ARG 216 N 4.49 1.13 0.00 -0.60 0.63 -0.07 -4.97 116.66 117.26 3hr5 n ARG 216 Ca -0.15 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3hr5 n ARG 216 Cb 0.52 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.67 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 1.53 4.17 0.00 5.14 0.00 -1.26 -4.84 105.19 109.93 3hr5 n GLY 217 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.00 0.00 1.61 0.28 -1.26 -5.20 120.64 116.07 3hr5 n GLU 218 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 3hr5 n GLU 218 Cb 0.00 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.30 3hr5 n GLU 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97