#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjr n ILE 2 N 0.00 0.15 -4.54 0.00 5.41 -1.26 -3.04 119.36 116.07 1hjr n ILE 2 Ca 0.00 -0.03 -0.23 0.00 1.00 0.00 0.00 62.75 63.49 1hjr n ILE 2 Cb 0.00 -1.66 -0.16 0.00 -0.71 0.00 0.00 39.64 37.11 1hjr n ILE 2 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1hjr s ILE 3 N 1.70 1.03 -0.22 1.39 1.09 -0.81 -0.95 121.20 124.44 1hjr s ILE 3 Ca 0.82 -0.47 -0.10 0.00 -1.10 0.00 0.00 60.65 59.80 1hjr s ILE 3 Cb -0.66 -0.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.77 1hjr s ILE 3 CO 0.40 0.32 0.15 -0.22 -0.10 0.00 0.00 174.94 175.49 1hjr s LEU 4 N 0.35 4.17 -0.25 2.97 2.96 -0.82 -3.18 118.68 124.87 1hjr s LEU 4 Ca -0.07 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1hjr s LEU 4 Cb -0.12 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 1hjr s LEU 4 CO 0.02 0.13 0.01 -0.83 -1.32 0.00 0.00 176.35 174.36 1hjr s GLY 5 N 0.67 1.70 -0.10 7.98 0.00 0.32 -0.80 107.32 117.07 1hjr s GLY 5 Ca 0.08 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1hjr s GLY 5 CO 0.01 0.53 -0.07 -0.42 0.00 0.00 0.00 173.10 173.15 1hjr s ILE 6 N 1.48 3.65 -0.43 0.90 -1.09 -0.94 0.12 121.20 124.89 1hjr s ILE 6 Ca 0.04 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1hjr s ILE 6 Cb -0.16 -2.53 0.12 0.00 -1.58 0.00 0.00 42.46 38.32 1hjr s ILE 6 CO -0.00 0.56 0.20 -0.62 -1.23 0.00 0.00 174.94 173.84 1hjr s ASP 7 N -0.31 4.07 0.71 3.58 2.15 0.26 -4.47 116.67 122.65 1hjr s ASP 7 Ca 0.04 -2.55 -0.11 0.00 0.43 0.00 0.00 52.55 50.37 1hjr s ASP 7 Cb -0.13 -1.28 0.02 0.00 -0.30 0.00 0.00 42.92 41.23 1hjr s ASP 7 CO 0.02 -0.29 1.07 -2.16 -0.17 0.00 0.00 175.17 173.64 1hjr s PRO 8 N 0.40 2.82 -0.29 4.34 0.04 -1.26 0.15 135.00 141.20 1hjr s PRO 8 Ca 0.15 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 1hjr s PRO 8 Cb -0.23 -1.97 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1hjr s PRO 8 CO -0.04 -1.20 1.38 0.20 0.04 0.00 0.00 177.00 177.38 1hjr s GLY 9 N -3.71 0.20 0.27 0.56 0.00 -1.13 -4.86 107.32 98.65 1hjr s GLY 9 Ca 0.59 3.13 0.01 0.00 0.00 0.00 0.00 44.72 48.44 1hjr s GLY 9 CO 0.55 1.49 1.76 1.48 0.00 0.00 0.00 173.10 178.38 1hjr h SER 10 N 2.59 0.56 -0.00 1.64 4.64 -1.83 -3.16 113.55 117.98 1hjr h SER 10 Ca -0.17 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1hjr h SER 10 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hjr h SER 10 CO 0.20 0.21 -0.47 0.54 -0.87 0.00 0.00 176.83 176.44 1hjr n ARG 11 N -4.87 2.90 -3.65 4.77 1.74 -1.26 -4.86 116.66 111.43 1hjr n ARG 11 Ca 0.19 -0.16 -0.07 0.00 -0.77 0.00 0.00 57.85 57.04 1hjr n ARG 11 Cb 0.48 -1.07 -0.07 0.00 -1.02 0.00 0.00 32.46 30.78 1hjr n ARG 11 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hjr s VAL 12 N -1.96 -0.12 -0.08 1.55 1.01 -1.19 -3.00 120.40 116.61 1hjr s VAL 12 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1hjr s VAL 12 Cb 0.09 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1hjr s VAL 12 CO 0.43 0.00 -0.05 0.42 0.00 0.00 0.00 175.10 175.91 1hjr s THR 13 N 1.77 0.74 0.14 3.92 -4.23 -0.98 -2.84 115.64 114.16 1hjr s THR 13 Ca -0.09 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1hjr s THR 13 Cb -0.06 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1hjr s THR 13 CO -0.19 0.31 0.30 -0.83 -0.54 0.00 0.00 174.62 173.67 1hjr s GLY 14 N 1.56 1.90 0.07 3.99 0.00 0.12 -1.09 107.32 113.88 1hjr s GLY 14 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1hjr s GLY 14 CO -0.05 -0.86 -0.15 -2.52 0.00 0.00 0.00 173.10 169.53 1hjr s TYR 15 N -1.71 1.27 -0.14 1.90 -0.85 0.18 0.90 117.35 118.90 1hjr s TYR 15 Ca 0.36 -0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 56.41 1hjr s TYR 15 Cb -0.12 -0.71 0.07 0.00 0.38 0.00 0.00 41.96 41.59 1hjr s TYR 15 CO 0.28 0.07 0.23 0.20 -1.52 0.00 0.00 175.55 174.81 1hjr s GLY 16 N -1.77 -0.04 -0.24 5.49 0.00 0.32 -1.39 107.32 109.70 1hjr s GLY 16 Ca -0.01 0.62 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 1hjr s GLY 16 CO 0.02 1.97 -0.02 0.14 0.00 0.00 0.00 173.10 175.21 1hjr s VAL 17 N 2.36 3.43 0.22 1.40 1.01 -0.22 0.12 120.40 128.71 1hjr s VAL 17 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1hjr s VAL 17 Cb -0.13 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1hjr s VAL 17 CO -0.09 0.33 0.11 0.27 0.00 0.00 0.00 175.10 175.72 1hjr s ILE 18 N 1.46 0.26 -0.01 2.22 -5.25 -1.19 -0.80 121.20 117.89 1hjr s ILE 18 Ca 0.04 -1.99 -0.04 0.00 -0.99 0.00 0.00 60.65 57.67 1hjr s ILE 18 Cb -0.15 -2.51 -0.00 0.00 2.95 0.00 0.00 42.46 42.75 1hjr s ILE 18 CO -0.02 -0.05 0.09 0.00 -1.79 0.00 0.00 174.94 173.17 1hjr s ARG 19 N -4.09 0.31 -0.42 0.37 1.70 0.20 -1.92 118.95 115.09 1hjr s ARG 19 Ca 0.37 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.41 1hjr s ARG 19 Cb 0.07 0.13 0.12 0.00 -0.57 0.00 0.00 34.95 34.70 1hjr s ARG 19 CO 0.12 -0.06 0.19 -1.14 -1.08 0.00 0.00 175.30 173.33 1hjr s GLN 20 N -0.86 1.38 -0.49 3.89 0.74 -1.17 -1.27 119.66 121.88 1hjr s GLN 20 Ca -0.09 -1.97 -0.16 0.00 0.05 0.00 0.00 55.36 53.19 1hjr s GLN 20 Cb -0.06 -2.64 0.09 0.00 1.10 0.00 0.00 33.01 31.50 1hjr s GLN 20 CO 0.00 -1.09 0.43 0.08 -0.55 0.00 0.00 175.29 174.16 1hjr s VAL 21 N 0.50 5.22 0.00 1.34 1.01 -1.17 -4.29 120.40 123.01 1hjr s VAL 21 Ca 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1hjr s VAL 21 Cb -0.23 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1hjr s VAL 21 CO -0.05 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1hjr n GLY 22 N 5.21 0.96 0.08 4.51 0.00 -1.26 -3.84 105.19 110.85 1hjr n GLY 22 Ca -0.13 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.51 1hjr n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjr n ARG 23 N 1.97 1.85 -3.71 1.61 1.74 -1.26 -4.92 116.66 113.94 1hjr n ARG 23 Ca 0.00 -2.26 -0.39 0.00 -0.77 0.00 0.00 57.85 54.43 1hjr n ARG 23 Cb 0.00 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 29.96 1hjr n ARG 23 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1hjr s GLN 24 N -2.30 2.66 0.28 5.56 1.03 -1.25 -5.09 119.66 120.55 1hjr s GLN 24 Ca 0.23 -1.18 -0.11 0.00 0.04 0.00 0.00 55.36 54.34 1hjr s GLN 24 Cb 0.20 -3.54 -0.07 0.00 0.03 0.00 0.00 33.01 29.62 1hjr s GLN 24 CO 0.02 -0.69 0.63 -0.48 -2.54 0.00 0.00 175.29 172.23 1hjr s LEU 25 N 1.44 4.08 -0.03 2.60 2.34 -1.26 -3.06 118.68 124.79 1hjr s LEU 25 Ca -0.00 1.02 -0.16 0.00 0.06 0.00 0.00 54.13 55.05 1hjr s LEU 25 Cb -0.20 -3.82 0.03 0.00 -0.56 0.00 0.00 46.19 41.64 1hjr s LEU 25 CO 0.04 -0.17 0.35 -0.44 -1.06 0.00 0.00 176.35 175.07 1hjr s SER 26 N -2.53 -0.25 -0.12 1.48 0.01 -0.40 -4.98 113.70 106.91 1hjr s SER 26 Ca 0.49 0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.78 1hjr s SER 26 Cb -0.11 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 1hjr s SER 26 CO 0.22 -0.43 0.52 -0.47 0.41 0.00 0.00 173.24 173.50 1hjr s TYR 27 N -1.15 3.51 -0.18 2.43 6.14 -1.26 -0.63 117.35 126.21 1hjr s TYR 27 Ca -0.12 0.95 -0.02 0.00 0.64 0.00 0.00 57.07 58.52 1hjr s TYR 27 Cb -0.04 -2.61 -0.11 0.00 0.42 0.00 0.00 41.96 39.61 1hjr s TYR 27 CO 0.04 0.12 -0.18 1.28 0.64 0.00 0.00 175.55 177.45 1hjr n LEU 28 N 3.82 2.55 0.00 6.97 4.77 -0.51 -4.98 117.00 129.62 1hjr n LEU 28 Ca -0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1hjr n LEU 28 Cb 0.51 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1hjr n LEU 28 CO 0.44 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1hjr n GLY 29 N 2.41 3.40 3.73 -0.72 0.00 0.02 -5.00 105.19 109.03 1hjr n GLY 29 Ca -0.34 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1hjr n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hjr s SER 30 N 0.00 4.51 0.00 1.61 0.15 -1.26 -1.06 113.70 117.65 1hjr s SER 30 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1hjr s SER 30 Cb 0.00 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1hjr s SER 30 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1hjr n GLY 31 N -1.18 1.87 3.09 9.45 0.00 -0.49 -4.92 105.19 113.01 1hjr n GLY 31 Ca -0.02 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1hjr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjr s ILE 33 N 1.16 4.70 -0.49 0.00 -4.36 -0.25 -4.97 121.20 116.98 1hjr s ILE 33 Ca -0.05 0.27 -0.15 0.00 -0.26 0.00 0.00 60.65 60.45 1hjr s ILE 33 Cb -0.18 -4.30 0.09 0.00 1.25 0.00 0.00 42.46 39.31 1hjr s ILE 33 CO -0.07 -0.72 0.42 -0.13 0.24 0.00 0.00 174.94 174.69 1hjr s ARG 34 N 3.16 2.97 -1.12 0.37 0.52 -1.26 -2.31 118.95 121.28 1hjr s ARG 34 Ca 0.27 -1.44 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 1hjr s ARG 34 Cb -0.13 -4.16 0.28 0.00 0.52 0.00 0.00 34.95 31.45 1hjr s ARG 34 CO 0.21 -1.10 1.14 0.25 0.02 0.00 0.00 175.30 175.81 1hjr n THR 35 N 5.21 4.59 -2.74 0.02 -2.24 -1.16 -4.92 114.28 113.03 1hjr n THR 35 Ca -0.13 -5.39 -0.42 0.00 -2.27 0.00 0.00 64.05 55.84 1hjr n THR 35 Cb 0.43 -2.58 0.01 0.00 -2.10 0.00 0.00 70.33 66.09 1hjr n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hjr n LYS 36 N 2.70 4.52 -4.55 -0.78 4.76 -1.26 -4.72 118.16 118.82 1hjr n LYS 36 Ca 0.24 -4.32 -0.26 0.00 -2.87 0.00 0.00 58.31 51.10 1hjr n LYS 36 Cb 0.39 -2.59 -0.09 0.00 -1.84 0.00 0.00 35.03 30.91 1hjr n LYS 36 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1hjr s VAL 37 N -2.41 0.87 0.00 -0.18 -7.23 -1.26 -5.06 120.40 105.14 1hjr s VAL 37 Ca 0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1hjr s VAL 37 Cb 0.09 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1hjr s VAL 37 CO 0.03 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.92 1hjr n ASP 38 N -1.16 4.06 -4.54 4.85 5.68 -1.26 -4.93 116.55 119.25 1hjr n ASP 38 Ca -0.08 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 53.93 1hjr n ASP 38 Cb 0.66 0.43 -0.08 0.00 -1.14 0.00 0.00 41.12 40.99 1hjr n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1hjr n ASP 39 N -1.69 1.43 -0.16 -1.12 2.03 -1.26 -4.82 116.55 110.96 1hjr n ASP 39 Ca 0.00 -0.70 -0.04 0.00 0.52 0.00 0.00 54.79 54.57 1hjr n ASP 39 Cb 0.38 -1.39 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 1hjr n ASP 39 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1hjr n LEU 40 N 14.79 -0.40 0.06 -2.67 7.94 -1.26 -0.01 117.00 135.45 1hjr n LEU 40 Ca 0.48 1.19 0.20 0.00 -1.11 0.00 0.00 56.01 56.77 1hjr n LEU 40 Cb 0.39 -0.35 0.73 0.00 0.53 0.00 0.00 43.42 44.72 1hjr n LEU 40 CO 0.74 -0.81 1.18 -0.65 -1.11 0.00 0.00 177.39 176.74 1hjr h PRO 41 N 0.00 0.00 0.37 1.96 0.11 -2.00 0.79 132.00 133.23 1hjr h PRO 41 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1hjr h PRO 41 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1hjr h PRO 41 CO -0.36 0.00 -0.18 0.77 -0.21 0.00 0.00 178.00 178.03 1hjr h SER 42 N 0.00 -0.42 -0.96 -2.05 0.02 -0.80 -1.74 113.55 107.59 1hjr h SER 42 Ca 0.21 -0.14 0.31 0.00 -0.84 0.00 0.00 61.79 61.33 1hjr h SER 42 Cb 0.96 0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.44 1hjr h SER 42 CO -0.00 0.01 0.35 -0.09 -1.14 0.00 0.00 176.83 175.95 1hjr h ARG 43 N -0.94 0.13 0.55 3.45 2.43 0.07 0.48 114.38 120.55 1hjr h ARG 43 Ca -0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1hjr h ARG 43 Cb 0.53 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1hjr h ARG 43 CO 0.08 0.09 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.30 1hjr h LEU 44 N 0.14 -0.62 -1.64 3.80 3.38 -1.22 -3.09 115.31 116.07 1hjr h LEU 44 Ca 0.68 0.02 0.39 0.00 0.09 0.00 0.00 57.88 59.06 1hjr h LEU 44 Cb 1.56 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 42.38 1hjr h LEU 44 CO -0.73 -0.39 0.89 0.50 0.09 0.00 0.00 178.44 178.80 1hjr h LYS 45 N -0.83 0.12 0.00 1.13 1.63 -0.01 1.24 116.57 119.85 1hjr h LYS 45 Ca -0.07 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 1hjr h LYS 45 Cb 0.56 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1hjr h LYS 45 CO 0.12 0.08 -0.42 -0.07 -3.45 0.00 0.00 179.45 175.72 1hjr h LEU 46 N 0.13 0.00 0.12 5.20 3.38 -1.21 -1.55 115.31 121.38 1hjr h LEU 46 Ca 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 1hjr h LEU 46 Cb 2.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.16 1hjr h LEU 46 CO -0.22 0.42 -0.06 0.40 0.09 0.00 0.00 178.44 179.07 1hjr h ILE 47 N 0.00 0.93 -0.17 1.22 2.04 0.16 -0.52 117.51 121.18 1hjr h ILE 47 Ca -0.00 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1hjr h ILE 47 Cb 1.02 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 1hjr h ILE 47 CO 0.05 0.26 -0.38 0.22 0.00 0.00 0.00 178.15 178.30 1hjr h TYR 48 N -0.86 -1.14 -0.23 1.37 3.20 -1.16 -2.14 116.97 116.01 1hjr h TYR 48 Ca -0.02 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1hjr h TYR 48 Cb 0.55 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1hjr h TYR 48 CO 0.10 -0.36 -0.28 0.00 -1.64 0.00 0.00 178.16 175.99 1hjr h ALA 49 N -0.57 -0.51 -0.90 1.82 0.00 -1.35 -1.14 119.26 116.60 1hjr h ALA 49 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1hjr h ALA 49 Cb 0.44 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1hjr h ALA 49 CO -0.34 -0.65 0.60 0.78 0.00 0.00 0.00 179.25 179.63 1hjr h GLY 50 N -0.18 1.28 1.63 0.00 0.00 -1.05 -1.03 103.07 103.71 1hjr h GLY 50 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1hjr h GLY 50 CO -0.31 0.45 -0.51 -2.08 0.00 0.00 0.00 176.54 174.09 1hjr h VAL 51 N 1.21 1.33 -0.40 4.60 2.07 -1.28 -2.94 116.25 120.85 1hjr h VAL 51 Ca 0.34 -1.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 1hjr h VAL 51 Cb -0.11 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1hjr h VAL 51 CO -0.08 0.53 -0.12 0.74 0.02 0.00 0.00 177.57 178.66 1hjr h THR 52 N 0.31 1.28 0.38 2.57 2.02 -0.70 -2.94 112.91 115.82 1hjr h THR 52 Ca 0.01 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1hjr h THR 52 Cb 1.00 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1hjr h THR 52 CO 0.09 0.41 -0.51 -0.08 0.37 0.00 0.00 175.52 175.79 1hjr h GLU 53 N 0.60 -0.89 -0.96 6.66 4.57 -1.11 -1.77 114.58 121.67 1hjr h GLU 53 Ca 0.10 0.06 0.27 0.00 -1.18 0.00 0.00 59.36 58.61 1hjr h GLU 53 Cb 0.65 0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 29.31 1hjr h GLU 53 CO 0.04 -0.59 0.48 0.82 -1.18 0.00 0.00 179.01 178.58 1hjr h ILE 54 N -0.93 0.38 -0.53 2.32 1.08 -1.54 0.69 117.51 118.99 1hjr h ILE 54 Ca -0.04 -0.13 -0.10 0.00 -0.39 0.00 0.00 64.86 64.20 1hjr h ILE 54 Cb 0.84 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1hjr h ILE 54 CO -0.14 0.07 -0.08 0.40 -0.69 0.00 0.00 178.15 177.71 1hjr h ILE 55 N 0.37 1.27 -0.11 -0.67 2.04 -1.25 -1.49 117.51 117.66 1hjr h ILE 55 Ca 0.65 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1hjr h ILE 55 Cb 1.37 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1hjr h ILE 55 CO -0.58 0.43 0.00 0.35 0.00 0.00 0.00 178.15 178.35 1hjr n THR 56 N -4.20 0.12 -0.08 -0.27 -2.24 0.70 -3.96 114.28 104.35 1hjr n THR 56 Ca 0.01 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1hjr n THR 56 Cb 0.38 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 1hjr n THR 56 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1hjr h GLN 57 N 3.63 0.00 -6.20 -0.78 5.75 0.48 -3.46 115.11 114.53 1hjr h GLN 57 Ca 0.00 0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.87 1hjr h GLN 57 Cb 0.78 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.24 1hjr h GLN 57 CO 0.00 0.57 -0.60 -0.06 -2.65 0.00 0.00 178.83 176.09 1hjr s PHE 58 N -2.20 3.17 -0.40 3.99 0.08 -0.59 -5.06 117.98 116.98 1hjr s PHE 58 Ca -0.19 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 1hjr s PHE 58 Cb 0.02 -1.59 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 1hjr s PHE 58 CO 0.42 0.52 0.19 -0.65 -0.10 0.00 0.00 175.22 175.60 1hjr s GLN 59 N -2.54 1.95 0.36 0.44 -0.21 -1.26 -4.39 119.66 114.01 1hjr s GLN 59 Ca 0.29 -1.83 -0.28 0.00 0.02 0.00 0.00 55.36 53.57 1hjr s GLN 59 Cb -0.12 -3.55 -0.10 0.00 1.00 0.00 0.00 33.01 30.25 1hjr s GLN 59 CO 0.22 -1.06 1.35 -2.14 -2.12 0.00 0.00 175.29 171.54 1hjr s PRO 60 N 1.11 4.18 -0.21 2.91 0.02 -1.25 -4.81 135.00 136.95 1hjr s PRO 60 Ca 0.09 2.29 -0.18 0.00 0.02 0.00 0.00 61.00 63.21 1hjr s PRO 60 Cb -0.22 -2.95 -0.19 0.00 0.02 0.00 0.00 34.50 31.15 1hjr s PRO 60 CO -0.05 -0.36 0.15 -0.25 -0.33 0.00 0.00 177.00 176.16 1hjr n ASP 61 N 0.52 1.91 -4.48 2.53 9.92 -0.13 -4.94 116.55 121.89 1hjr n ASP 61 Ca 0.01 0.37 -0.23 0.00 -0.53 0.00 0.00 54.79 54.42 1hjr n ASP 61 Cb 0.42 -0.92 -0.11 0.00 -0.64 0.00 0.00 41.12 39.87 1hjr n ASP 61 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1hjr s TYR 62 N -2.41 2.07 -0.13 1.24 2.02 -1.11 -4.51 117.35 114.52 1hjr s TYR 62 Ca -0.30 -0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 55.49 1hjr s TYR 62 Cb 0.07 -1.36 0.05 0.00 -0.40 0.00 0.00 41.96 40.32 1hjr s TYR 62 CO 0.60 0.12 0.08 0.12 -1.57 0.00 0.00 175.55 174.90 1hjr s PHE 63 N -3.15 0.17 0.10 2.71 2.19 -0.93 -1.95 117.98 117.12 1hjr s PHE 63 Ca 0.35 -0.13 0.04 0.00 0.33 0.00 0.00 56.93 57.53 1hjr s PHE 63 Cb 0.08 -0.63 -0.04 0.00 -1.31 0.00 0.00 43.02 41.13 1hjr s PHE 63 CO 0.16 -0.40 0.05 0.00 1.83 0.00 0.00 175.22 176.85 1hjr s ALA 64 N 2.14 3.44 0.05 11.12 0.00 0.02 -1.47 121.76 137.05 1hjr s ALA 64 Ca 0.03 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1hjr s ALA 64 Cb -0.15 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1hjr s ALA 64 CO -0.07 0.68 0.03 -1.50 0.00 0.00 0.00 175.76 174.90 1hjr s ILE 65 N -1.43 0.17 0.39 0.00 2.07 0.45 -2.21 121.20 120.64 1hjr s ILE 65 Ca 0.28 -1.39 -0.10 0.00 -1.41 0.00 0.00 60.65 58.03 1hjr s ILE 65 Cb -0.11 -1.11 -0.06 0.00 0.13 0.00 0.00 42.46 41.30 1hjr s ILE 65 CO 0.21 -0.77 0.75 -0.70 -1.91 0.00 0.00 174.94 172.52 1hjr s GLU 66 N -3.13 3.77 0.03 3.50 2.12 -1.26 -0.82 118.70 122.91 1hjr s GLU 66 Ca -0.00 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.56 1hjr s GLU 66 Cb 0.02 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.94 1hjr s GLU 66 CO -0.07 -0.01 0.62 -0.65 -0.54 0.00 0.00 175.26 174.60 1hjr s GLN 67 N -3.81 4.32 -0.52 4.30 -1.52 1.00 -4.72 119.66 118.71 1hjr s GLN 67 Ca 0.51 0.80 -0.18 0.00 -1.95 0.00 0.00 55.36 54.53 1hjr s GLN 67 Cb -0.10 -3.32 0.08 0.00 -0.22 0.00 0.00 33.01 29.45 1hjr s GLN 67 CO 0.31 0.43 0.60 0.08 -0.25 0.00 0.00 175.29 176.46 1hjr s VAL 68 N -0.44 4.94 0.01 1.09 1.01 -1.26 -4.33 120.40 121.42 1hjr s VAL 68 Ca 0.32 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1hjr s VAL 68 Cb -0.19 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 1hjr s VAL 68 CO 0.19 -0.85 -0.03 0.49 0.00 0.00 0.00 175.10 174.90 1hjr n PHE 69 N 5.99 0.00 -1.47 5.22 3.72 -1.26 -4.90 117.46 124.77 1hjr n PHE 69 Ca -0.09 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.87 1hjr n PHE 69 Cb 0.44 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.83 1hjr n PHE 69 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1hjr n MET 70 N -2.90 0.37 -3.98 -1.08 1.56 -1.26 -4.82 117.12 105.01 1hjr n MET 70 Ca -0.01 0.04 -0.31 0.00 -0.27 0.00 0.00 57.70 57.15 1hjr n MET 70 Cb 0.04 -2.04 -0.15 0.00 2.15 0.00 0.00 33.22 33.22 1hjr n MET 70 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1hjr s ALA 71 N 9.02 2.14 0.23 -5.12 0.00 -1.26 -5.06 121.76 121.71 1hjr s ALA 71 Ca 1.22 -1.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 1hjr s ALA 71 Cb -1.01 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1hjr s ALA 71 CO 0.47 -1.19 0.38 0.21 0.00 0.00 0.00 175.76 175.62 1hjr s LYS 72 N 1.31 1.43 -0.23 0.00 2.20 -1.26 -5.03 119.74 118.16 1hjr s LYS 72 Ca -0.07 -1.34 -0.01 0.00 -0.36 0.00 0.00 55.97 54.20 1hjr s LYS 72 Cb -0.19 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1hjr s LYS 72 CO -0.06 -0.56 0.02 -1.71 -0.36 0.00 0.00 175.35 172.68 1hjr n ASN 73 N -0.34 -7.63 -0.23 1.43 5.15 -1.26 -4.62 115.26 107.76 1hjr n ASN 73 Ca -0.01 1.12 -0.06 0.00 -0.60 0.00 0.00 54.58 55.03 1hjr n ASN 73 Cb 0.63 -4.29 0.04 0.00 -0.53 0.00 0.00 39.78 35.64 1hjr n ASN 73 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hjr h ALA 74 N 3.18 0.82 -0.72 5.20 0.00 -2.00 -2.29 119.26 123.45 1hjr h ALA 74 Ca -0.01 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1hjr h ALA 74 Cb 0.31 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1hjr h ALA 74 CO 0.08 0.27 0.04 0.22 0.00 0.00 0.00 179.25 179.85 1hjr h ASP 75 N 0.88 -0.27 0.16 0.00 3.58 -2.01 -2.68 116.42 116.09 1hjr h ASP 75 Ca 0.24 0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 1hjr h ASP 75 Cb -0.07 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1hjr h ASP 75 CO -0.05 -0.14 -0.08 0.28 -2.88 0.00 0.00 179.24 176.37 1hjr h SER 76 N 0.13 -0.18 -0.64 2.28 0.02 -1.82 -3.10 113.55 110.25 1hjr h SER 76 Ca 0.40 -0.36 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1hjr h SER 76 Cb 0.69 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.18 1hjr h SER 76 CO -0.61 0.38 0.15 0.00 -1.14 0.00 0.00 176.83 175.62 1hjr h ALA 77 N -0.32 0.79 -0.02 3.77 0.00 -1.10 0.36 119.26 122.75 1hjr h ALA 77 Ca -0.02 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1hjr h ALA 77 Cb 0.52 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1hjr h ALA 77 CO 0.04 -0.30 -0.53 1.25 0.00 0.00 0.00 179.25 179.71 1hjr h LEU 78 N 0.28 -1.63 -1.72 0.00 6.46 -1.61 0.59 115.31 117.68 1hjr h LEU 78 Ca 0.34 0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 1hjr h LEU 78 Cb 0.53 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1hjr h LEU 78 CO -0.42 -0.51 -0.17 0.11 -0.62 0.00 0.00 178.44 176.82 1hjr h LYS 79 N -0.65 0.00 0.20 1.25 1.57 -1.33 0.20 116.57 117.81 1hjr h LYS 79 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1hjr h LYS 79 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1hjr h LYS 79 CO -0.37 0.17 -0.10 1.25 -0.57 0.00 0.00 179.45 179.84 1hjr h LEU 80 N 0.00 -0.23 -1.20 2.94 7.12 0.24 -3.22 115.31 120.96 1hjr h LEU 80 Ca -0.00 -0.19 0.23 0.00 0.13 0.00 0.00 57.88 58.05 1hjr h LEU 80 Cb 0.40 0.06 -0.10 0.00 -0.53 0.00 0.00 40.66 40.49 1hjr h LEU 80 CO 0.02 0.07 0.63 1.23 -0.13 0.00 0.00 178.44 180.26 1hjr h GLY 81 N -0.53 1.49 0.64 3.75 0.00 0.78 -1.51 103.07 107.68 1hjr h GLY 81 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1hjr h GLY 81 CO 0.04 -0.11 -0.06 1.46 0.00 0.00 0.00 176.54 177.87 1hjr h GLN 82 N 0.56 0.18 0.00 4.80 4.20 -0.68 -1.77 115.11 122.40 1hjr h GLN 82 Ca 0.58 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 59.12 1hjr h GLN 82 Cb 1.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1hjr h GLN 82 CO -0.34 0.60 -0.38 0.00 -0.67 0.00 0.00 178.83 178.03 1hjr h ALA 83 N 0.58 1.20 0.06 3.87 0.00 -1.35 -3.05 119.26 120.55 1hjr h ALA 83 Ca 0.01 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1hjr h ALA 83 Cb 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1hjr h ALA 83 CO 0.02 0.48 -1.76 -0.09 0.00 0.00 0.00 179.25 177.90 1hjr h ARG 84 N 0.00 0.12 -0.67 0.00 2.43 -1.35 -3.07 114.38 111.84 1hjr h ARG 84 Ca -0.00 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1hjr h ARG 84 Cb 0.76 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 1hjr h ARG 84 CO 0.05 0.82 0.14 0.78 -1.51 0.00 0.00 179.97 180.25 1hjr h GLY 85 N 2.48 1.17 0.96 2.80 0.00 -1.33 -0.67 103.07 108.48 1hjr h GLY 85 Ca -0.32 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.24 1hjr h GLY 85 CO 0.09 0.70 0.20 -2.08 0.00 0.00 0.00 176.54 175.46 1hjr h VAL 86 N 1.01 1.17 -0.23 4.60 2.07 -1.67 0.77 116.25 123.98 1hjr h VAL 86 Ca 0.21 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1hjr h VAL 86 Cb 0.40 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1hjr h VAL 86 CO 0.01 0.18 -0.40 0.00 0.02 0.00 0.00 177.57 177.38 1hjr h ALA 87 N 1.05 0.87 0.57 1.67 0.00 -1.40 -1.88 119.26 120.13 1hjr h ALA 87 Ca 0.14 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1hjr h ALA 87 Cb 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hjr h ALA 87 CO -0.02 0.64 -0.27 0.82 0.00 0.00 0.00 179.25 180.42 1hjr h ILE 88 N 0.45 0.00 -0.81 0.00 2.04 -0.94 -3.14 117.51 115.11 1hjr h ILE 88 Ca 0.04 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.73 1hjr h ILE 88 Cb 0.90 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1hjr h ILE 88 CO 0.08 0.00 -0.20 1.62 0.00 0.00 0.00 178.15 179.65 1hjr h VAL 89 N -1.10 0.19 -0.65 1.67 3.04 0.63 -2.58 116.25 117.46 1hjr h VAL 89 Ca -0.08 -0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.72 1hjr h VAL 89 Cb 0.59 0.19 -0.12 0.00 -2.01 0.00 0.00 31.29 29.94 1hjr h VAL 89 CO 0.13 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.33 1hjr h ALA 90 N 1.81 -0.06 -0.09 3.17 0.00 -1.33 -0.84 119.26 121.91 1hjr h ALA 90 Ca 0.39 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.50 1hjr h ALA 90 Cb 0.60 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1hjr h ALA 90 CO -0.83 -0.70 0.08 0.00 0.00 0.00 0.00 179.25 177.80 1hjr h ALA 91 N 0.99 1.93 0.03 0.00 0.00 -1.42 -0.02 119.26 120.76 1hjr h ALA 91 Ca 0.24 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1hjr h ALA 91 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1hjr h ALA 91 CO -0.73 -0.12 -1.10 0.28 0.00 0.00 0.00 179.25 177.57 1hjr h VAL 92 N 0.00 1.61 0.00 0.00 2.07 -1.14 -2.40 116.25 116.39 1hjr h VAL 92 Ca 0.04 -3.30 -0.02 0.00 0.82 0.00 0.00 66.70 64.24 1hjr h VAL 92 Cb 0.20 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1hjr h VAL 92 CO -0.00 0.93 -0.12 0.78 0.02 0.00 0.00 177.57 179.18 1hjr h ASN 93 N 0.01 0.00 -1.70 0.57 2.35 -0.21 -3.40 115.58 113.20 1hjr h ASN 93 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1hjr h ASN 93 Cb 1.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.20 1hjr h ASN 93 CO 0.14 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 1hjr n GLN 94 N -3.29 2.98 -0.05 0.81 1.13 -1.00 -5.01 117.38 112.95 1hjr n GLN 94 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1hjr n GLN 94 Cb 0.36 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.78 1hjr n GLN 94 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1hjr n GLU 95 N 0.00 1.21 -1.74 -1.09 -0.58 -1.25 -4.91 120.64 112.29 1hjr n GLU 95 Ca 0.00 -1.42 -0.66 0.00 -0.42 0.00 0.00 57.16 54.66 1hjr n GLU 95 Cb 0.00 -1.23 -0.09 0.00 -0.57 0.00 0.00 31.44 29.54 1hjr n GLU 95 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1hjr n LEU 96 N 0.61 1.39 -4.69 -4.62 4.77 -0.91 -4.90 117.00 108.65 1hjr n LEU 96 Ca 0.08 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 56.81 1hjr n LEU 96 Cb 0.32 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1hjr n LEU 96 CO 0.07 -0.79 0.93 -2.16 -1.33 0.00 0.00 177.39 174.12 1hjr s PRO 97 N 3.04 4.37 0.16 3.23 0.04 -1.26 -4.27 135.00 140.31 1hjr s PRO 97 Ca 1.04 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 1hjr s PRO 97 Cb -1.42 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 29.52 1hjr s PRO 97 CO 0.79 -0.40 0.61 0.08 0.04 0.00 0.00 177.00 178.12 1hjr s VAL 98 N 1.98 4.74 -0.02 -0.36 1.01 -1.26 -2.19 120.40 124.31 1hjr s VAL 98 Ca 0.56 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.58 1hjr s VAL 98 Cb -0.25 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1hjr s VAL 98 CO 0.23 0.27 -0.01 -0.36 0.00 0.00 0.00 175.10 175.23 1hjr s PHE 99 N -1.45 0.28 -0.31 5.22 0.08 -0.54 -4.96 117.98 116.30 1hjr s PHE 99 Ca 0.39 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.44 1hjr s PHE 99 Cb -0.16 -0.31 0.09 0.00 -0.57 0.00 0.00 43.02 42.07 1hjr s PHE 99 CO 0.20 -0.08 0.05 -1.21 -0.10 0.00 0.00 175.22 174.07 1hjr s GLU 100 N 0.63 1.23 0.22 0.44 2.02 -1.23 0.17 118.70 122.18 1hjr s GLU 100 Ca -0.06 -1.40 0.09 0.00 0.02 0.00 0.00 54.97 53.61 1hjr s GLU 100 Cb -0.09 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1hjr s GLU 100 CO -0.01 -0.89 -0.02 0.71 0.02 0.00 0.00 175.26 175.07 1hjr s TYR 101 N 1.26 2.72 0.34 1.61 1.51 -0.00 -4.71 117.35 120.09 1hjr s TYR 101 Ca 0.07 -0.20 -0.27 0.00 -1.01 0.00 0.00 57.07 55.67 1hjr s TYR 101 Cb -0.18 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.31 1hjr s TYR 101 CO -0.14 0.57 1.09 0.00 -1.11 0.00 0.00 175.55 175.96 1hjr s ALA 102 N -2.03 3.24 0.48 3.71 0.00 -1.26 -0.00 121.76 125.90 1hjr s ALA 102 Ca 0.29 0.83 0.26 0.00 0.00 0.00 0.00 51.96 53.33 1hjr s ALA 102 Cb -0.08 -3.31 1.31 0.00 0.00 0.00 0.00 23.12 21.04 1hjr s ALA 102 CO 0.18 -0.23 1.85 0.00 0.00 0.00 0.00 175.76 177.57 1hjr h ALA 103 N 3.12 2.58 -0.44 0.00 0.00 -1.98 2.14 119.26 124.68 1hjr h ALA 103 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1hjr h ALA 103 Cb 1.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1hjr h ALA 103 CO 0.64 -0.87 0.21 0.00 0.00 0.00 0.00 179.25 179.23 1hjr h ARG 104 N 0.19 0.61 -0.17 0.00 2.47 -1.94 -1.62 114.38 113.92 1hjr h ARG 104 Ca 0.48 -0.07 -0.20 0.00 -1.26 0.00 0.00 59.98 58.93 1hjr h ARG 104 Cb 1.55 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 29.76 1hjr h ARG 104 CO -0.10 0.47 -0.66 1.96 0.56 0.00 0.00 179.97 182.20 1hjr h GLN 105 N 0.61 0.74 0.38 0.04 4.20 0.32 -2.24 115.11 119.16 1hjr h GLN 105 Ca 0.15 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 1hjr h GLN 105 Cb 0.07 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1hjr h GLN 105 CO -0.02 1.19 -0.18 -0.24 -0.67 0.00 0.00 178.83 178.91 1hjr h VAL 106 N 0.45 0.00 -1.00 -0.54 3.04 -1.06 0.60 116.25 117.75 1hjr h VAL 106 Ca -0.04 -0.04 0.25 0.00 -1.01 0.00 0.00 66.70 65.87 1hjr h VAL 106 Cb 1.29 0.00 -0.19 0.00 -2.01 0.00 0.00 31.29 30.38 1hjr h VAL 106 CO 0.14 0.00 -0.07 0.11 -1.01 0.00 0.00 177.57 176.74 1hjr h LYS 107 N -0.54 0.00 0.00 4.17 1.57 -1.42 1.23 116.57 121.59 1hjr h LYS 107 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1hjr h LYS 107 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1hjr h LYS 107 CO 0.08 0.00 0.00 0.37 -0.57 0.00 0.00 179.45 179.34 1hjr h GLN 108 N 0.00 0.00 0.03 3.15 5.75 -1.33 -2.59 115.11 120.12 1hjr h GLN 108 Ca 0.56 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.71 1hjr h GLN 108 Cb 1.07 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.57 1hjr h GLN 108 CO -0.97 0.00 -1.97 2.41 -2.65 0.00 0.00 178.83 175.66 1hjr n THR 109 N -2.41 1.58 0.10 2.39 -1.04 0.39 -2.97 114.28 112.33 1hjr n THR 109 Ca 0.05 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.05 61.69 1hjr n THR 109 Cb 0.44 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1hjr n THR 109 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1hjr h VAL 110 N -0.61 1.41 0.00 12.58 -1.51 -0.82 -3.38 116.25 123.92 1hjr h VAL 110 Ca -0.50 -2.78 0.00 0.00 -1.23 0.00 0.00 66.70 62.19 1hjr h VAL 110 Cb 1.64 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1hjr h VAL 110 CO -0.19 0.76 -0.89 1.33 -1.23 0.00 0.00 177.57 177.35 1hjr n VAL 111 N -3.41 0.00 -0.93 7.19 0.24 -1.16 -4.88 118.33 115.37 1hjr n VAL 111 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1hjr n VAL 111 Cb 0.80 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1hjr n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hjr n GLY 112 N 2.36 0.65 3.15 7.63 0.00 -0.99 -5.00 105.19 112.99 1hjr n GLY 112 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1hjr n GLY 112 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hjr s ILE 113 N -2.00 -0.03 -2.00 -0.61 1.10 -1.21 -4.90 121.20 111.54 1hjr s ILE 113 Ca 0.00 0.12 0.11 0.00 -0.51 0.00 0.00 60.65 60.37 1hjr s ILE 113 Cb 0.00 -0.48 0.31 0.00 0.15 0.00 0.00 42.46 42.44 1hjr s ILE 113 CO 0.00 0.05 1.21 0.61 -2.11 0.00 0.00 174.94 174.70 1hjr n GLY 114 N 4.24 -0.73 0.24 1.50 0.00 -1.26 -2.90 105.19 106.28 1hjr n GLY 114 Ca -0.24 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.74 1hjr n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hjr n SER 115 N -0.73 1.39 -4.64 1.61 3.41 -1.26 -4.97 113.62 108.42 1hjr n SER 115 Ca 0.08 -1.19 -0.66 0.00 -0.26 0.00 0.00 58.87 56.84 1hjr n SER 115 Cb 0.04 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1hjr n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hjr n ALA 116 N 0.15 -0.99 -2.12 7.33 0.00 -1.14 -4.90 120.51 118.84 1hjr n ALA 116 Ca 0.04 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1hjr n ALA 116 Cb 0.17 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 1hjr n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hjr s GLU 117 N 3.68 4.71 0.34 0.00 -6.30 -1.26 -4.90 118.70 114.97 1hjr s GLU 117 Ca 1.08 1.52 0.13 0.00 -2.50 0.00 0.00 54.97 55.20 1hjr s GLU 117 Cb -1.49 -3.34 1.10 0.00 0.00 0.00 0.00 34.13 30.40 1hjr s GLU 117 CO 0.78 0.25 1.55 1.63 0.02 0.00 0.00 175.26 179.49 1hjr n LYS 118 N 2.44 -0.07 -0.05 4.30 4.01 -1.26 -0.08 118.16 127.44 1hjr n LYS 118 Ca 0.02 1.41 -0.08 0.00 -0.51 0.00 0.00 58.31 59.15 1hjr n LYS 118 Cb 0.48 -2.41 -0.02 0.00 -0.51 0.00 0.00 35.03 32.58 1hjr n LYS 118 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1hjr h SER 119 N 0.00 -0.26 0.37 4.39 4.64 -1.99 -1.32 113.55 119.39 1hjr h SER 119 Ca 0.74 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 62.14 1hjr h SER 119 Cb 1.82 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1hjr h SER 119 CO -0.83 -0.10 0.00 1.67 -0.87 0.00 0.00 176.83 176.71 1hjr n GLN 120 N -5.23 0.08 -0.08 4.77 0.00 0.88 -2.58 117.38 115.22 1hjr n GLN 120 Ca -0.01 0.22 -0.16 0.00 -0.00 0.00 0.00 57.00 57.05 1hjr n GLN 120 Cb 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.76 1hjr n GLN 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1hjr n VAL 121 N -1.41 1.56 0.44 1.69 0.31 -0.58 -3.86 118.33 116.48 1hjr n VAL 121 Ca 0.05 -0.68 0.10 0.00 -0.01 0.00 0.00 64.34 63.80 1hjr n VAL 121 Cb 0.14 -1.26 0.42 0.00 -0.91 0.00 0.00 33.84 32.23 1hjr n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hjr n GLN 122 N -3.19 0.12 0.04 5.55 6.02 -0.71 -2.37 117.38 122.83 1hjr n GLN 122 Ca -0.36 0.35 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 1hjr n GLN 122 Cb 1.05 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 30.44 1hjr n GLN 122 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1hjr h HIS 123 N 0.00 0.53 -0.41 1.08 2.76 -1.60 -3.19 115.15 114.32 1hjr h HIS 123 Ca 0.00 -0.39 -0.10 0.00 -2.20 0.00 0.00 60.37 57.68 1hjr h HIS 123 Cb 0.32 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1hjr h HIS 123 CO 0.00 1.47 -0.14 0.52 -1.30 0.00 0.00 177.93 178.48 1hjr h MET 124 N -0.28 0.82 0.61 5.26 2.86 -1.59 -2.46 114.93 120.14 1hjr h MET 124 Ca -0.24 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1hjr h MET 124 Cb 1.76 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 1hjr h MET 124 CO 0.11 0.96 -0.41 0.28 1.06 0.00 0.00 176.91 178.92 1hjr h VAL 125 N 0.63 0.17 -0.78 -2.22 2.07 -1.67 1.59 116.25 116.04 1hjr h VAL 125 Ca 0.10 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.81 1hjr h VAL 125 Cb 0.69 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1hjr h VAL 125 CO 0.05 0.00 0.53 0.03 0.02 0.00 0.00 177.57 178.20 1hjr h ARG 126 N -0.97 0.24 0.07 1.57 -0.00 -1.58 0.14 114.38 113.84 1hjr h ARG 126 Ca -0.07 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.98 59.11 1hjr h ARG 126 Cb 0.80 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.69 1hjr h ARG 126 CO 0.05 0.16 -1.47 1.15 0.00 0.00 0.00 179.97 179.86 1hjr h THR 127 N 0.24 1.19 -0.14 2.04 2.02 -0.83 0.79 112.91 118.23 1hjr h THR 127 Ca 0.39 -2.90 -0.14 0.00 0.77 0.00 0.00 66.41 64.53 1hjr h THR 127 Cb 1.15 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 70.24 1hjr h THR 127 CO -0.09 0.78 -0.51 -0.07 0.37 0.00 0.00 175.52 176.00 1hjr h LEU 128 N 0.04 0.40 -3.21 2.58 3.38 0.34 -3.23 115.31 115.62 1hjr h LEU 128 Ca -0.21 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1hjr h LEU 128 Cb 1.96 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1hjr h LEU 128 CO 0.13 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.69 1hjr n LEU 129 N -3.96 4.41 -4.40 1.67 4.32 0.36 -4.94 117.00 114.46 1hjr n LEU 129 Ca -0.02 -2.62 -0.38 0.00 -0.02 0.00 0.00 56.01 52.96 1hjr n LEU 129 Cb 0.56 -0.53 -0.07 0.00 -1.62 0.00 0.00 43.42 41.76 1hjr n LEU 129 CO 0.44 0.73 -0.21 0.29 -1.22 0.00 0.00 177.39 177.42 1hjr n LYS 130 N 0.48 -1.35 -2.08 3.23 5.02 -1.05 -4.78 118.16 117.62 1hjr n LYS 130 Ca 0.23 0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 1hjr n LYS 130 Cb 0.87 -4.51 -0.03 0.00 -0.02 0.00 0.00 35.03 31.34 1hjr n LYS 130 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hjr s LEU 131 N -7.27 3.32 -1.10 -0.35 1.43 0.27 -4.82 118.68 110.16 1hjr s LEU 131 Ca 0.58 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1hjr s LEU 131 Cb -0.33 -2.68 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 1hjr s LEU 131 CO 1.00 -2.23 2.50 -2.65 0.23 0.00 0.00 176.35 175.20 1hjr n PRO 132 N 9.07 2.65 -3.90 1.29 -0.02 -1.26 -4.63 135.00 138.19 1hjr n PRO 132 Ca 0.19 -1.67 -0.30 0.00 -2.02 0.00 0.00 63.50 59.70 1hjr n PRO 132 Cb 0.51 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1hjr n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hjr s ALA 133 N 2.76 2.41 0.29 3.55 0.00 -1.26 -5.07 121.76 124.44 1hjr s ALA 133 Ca 0.52 -2.28 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 1hjr s ALA 133 Cb 0.14 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 1hjr s ALA 133 CO -0.04 -1.72 0.84 -0.80 0.00 0.00 0.00 175.76 174.04 1hjr s ASN 134 N 1.06 7.16 0.65 0.00 0.01 -1.26 -4.97 114.94 117.58 1hjr s ASN 134 Ca 0.11 1.62 -0.18 0.00 -0.71 0.00 0.00 52.86 53.70 1hjr s ASN 134 Cb -0.19 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1hjr s ASN 134 CO -0.13 -0.05 1.29 -2.16 -1.51 0.00 0.00 177.10 174.54 1hjr s PRO 135 N -2.14 2.55 0.00 -0.60 0.04 -1.26 -4.98 135.00 128.62 1hjr s PRO 135 Ca 0.48 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1hjr s PRO 135 Cb -0.17 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1hjr s PRO 135 CO 0.21 -1.60 0.00 0.00 0.04 0.00 0.00 177.00 175.66 1hjr n GLN 136 N -1.90 0.00 -1.64 4.56 10.64 -1.26 -5.09 117.38 122.68 1hjr n GLN 136 Ca 0.16 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.83 1hjr n GLN 136 Cb 0.48 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.81 1hjr n GLN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hjr n ALA 137 N -0.10 0.31 -3.29 2.61 0.00 -1.26 -4.93 120.51 113.85 1hjr n ALA 137 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1hjr n ALA 137 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 1hjr n ALA 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1hjr s ASP 138 N 1.26 0.01 -0.59 0.00 1.47 -1.26 -4.98 116.67 112.58 1hjr s ASP 138 Ca 0.84 -0.97 0.05 0.00 1.18 0.00 0.00 52.55 53.65 1hjr s ASP 138 Cb -0.81 0.64 0.33 0.00 -0.34 0.00 0.00 42.92 42.73 1hjr s ASP 138 CO 0.45 -1.23 0.93 0.00 0.68 0.00 0.00 175.17 175.99 1hjr n ALA 139 N -0.43 4.61 0.31 2.11 0.00 -1.26 -4.88 120.51 120.97 1hjr n ALA 139 Ca -0.02 -4.72 0.16 0.00 0.00 0.00 0.00 53.44 48.86 1hjr n ALA 139 Cb 0.61 -0.77 0.70 0.00 0.00 0.00 0.00 19.45 19.99 1hjr n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjr h ALA 140 N 3.17 1.00 0.00 0.00 0.00 -1.96 -0.34 119.26 121.13 1hjr h ALA 140 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1hjr h ALA 140 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1hjr h ALA 140 CO 0.83 0.00 -0.90 -0.44 0.00 0.00 0.00 179.25 178.74 1hjr h ASP 141 N 0.00 0.00 -0.41 0.00 5.19 -1.97 -0.51 116.42 118.71 1hjr h ASP 141 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1hjr h ASP 141 Cb 0.36 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1hjr h ASP 141 CO 0.00 0.82 -0.21 0.00 -3.12 0.00 0.00 179.24 176.73 1hjr h ALA 142 N 1.18 0.58 -0.04 3.45 0.00 -1.60 -1.43 119.26 121.40 1hjr h ALA 142 Ca -0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1hjr h ALA 142 Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1hjr h ALA 142 CO 0.10 0.55 -0.09 -0.07 0.00 0.00 0.00 179.25 179.74 1hjr h LEU 143 N 0.69 0.15 -0.35 0.00 3.38 -1.08 -3.18 115.31 114.92 1hjr h LEU 143 Ca 0.09 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.55 1hjr h LEU 143 Cb 0.77 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1hjr h LEU 143 CO 0.06 0.71 -0.25 0.00 0.09 0.00 0.00 178.44 179.05 1hjr h ALA 144 N 0.45 -0.06 -0.99 1.53 0.00 -0.96 0.14 119.26 119.37 1hjr h ALA 144 Ca -0.00 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1hjr h ALA 144 Cb 0.69 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1hjr h ALA 144 CO 0.02 -0.65 0.62 0.82 0.00 0.00 0.00 179.25 180.06 1hjr h ILE 145 N -0.21 0.64 -0.20 0.00 1.08 -1.32 -1.04 117.51 116.47 1hjr h ILE 145 Ca 0.17 -0.20 -0.20 0.00 -0.39 0.00 0.00 64.86 64.24 1hjr h ILE 145 Cb 0.48 0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.25 1hjr h ILE 145 CO -0.47 0.11 -0.65 0.00 -0.69 0.00 0.00 178.15 176.45 1hjr h ALA 146 N 1.64 0.34 0.47 1.87 0.00 -0.78 -2.57 119.26 120.23 1hjr h ALA 146 Ca 0.56 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hjr h ALA 146 Cb 1.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1hjr h ALA 146 CO -0.32 0.63 -0.26 0.82 0.00 0.00 0.00 179.25 180.11 1hjr h ILE 147 N 0.52 0.46 -0.91 0.00 2.04 -0.01 -2.81 117.51 116.80 1hjr h ILE 147 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1hjr h ILE 147 Cb 1.27 0.46 -0.13 0.00 -0.74 0.00 0.00 36.82 37.67 1hjr h ILE 147 CO 0.14 0.00 -0.49 0.74 0.00 0.00 0.00 178.15 178.53 1hjr h THR 148 N -0.69 0.01 -0.96 -0.27 2.02 -1.25 0.43 112.91 112.21 1hjr h THR 148 Ca -0.06 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.36 1hjr h THR 148 Cb 0.55 0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 66.80 1hjr h THR 148 CO 0.07 0.00 -0.05 -0.74 0.37 0.00 0.00 175.52 175.17 1hjr h HIS 149 N -0.05 -0.18 0.87 3.16 -0.00 -1.20 -0.06 115.15 117.69 1hjr h HIS 149 Ca 0.23 0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.63 1hjr h HIS 149 Cb 0.51 0.24 0.01 0.00 -0.00 0.00 0.00 27.41 28.16 1hjr h HIS 149 CO -0.91 -0.41 -0.42 0.00 -0.00 0.00 0.00 177.93 176.19 1hjr n HIS 151 N -5.57 0.00 -0.26 0.00 -0.00 -0.79 -2.21 115.22 106.39 1hjr n HIS 151 Ca -0.15 0.00 0.23 0.00 -0.00 0.00 0.00 57.72 57.80 1hjr n HIS 151 Cb 0.47 -0.00 0.39 0.00 -0.00 0.00 0.00 29.99 30.85 1hjr n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1hjr n VAL 152 N -0.69 -0.18 -2.79 3.57 0.31 -0.10 0.10 118.33 118.55 1hjr n VAL 152 Ca 0.00 1.12 -0.32 0.00 -0.01 0.00 0.00 64.34 65.13 1hjr n VAL 152 Cb 0.00 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.09 1hjr n VAL 152 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1hjr n SER 153 N -4.00 5.46 -0.09 4.52 7.64 -0.55 -4.20 113.62 122.40 1hjr n SER 153 Ca 0.24 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1hjr n SER 153 Cb 0.90 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1hjr n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hjr n GLN 154 N -0.22 0.00 -2.71 1.43 1.13 0.29 -4.79 117.38 112.51 1hjr n GLN 154 Ca 0.37 -0.05 -0.06 0.00 -1.94 0.00 0.00 57.00 55.32 1hjr n GLN 154 Cb 0.36 -0.04 0.06 0.00 0.11 0.00 0.00 30.24 30.73 1hjr n GLN 154 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1hjr n ASN 155 N 0.00 -2.11 0.00 1.08 6.94 -1.23 -5.03 115.26 114.91 1hjr n ASN 155 Ca 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 54.58 52.08 1hjr n ASN 155 Cb 0.50 1.26 0.00 0.00 -2.36 0.00 0.00 39.78 39.18 1hjr n ASN 155 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hjr n ALA 156 N 1.66 0.00 -1.46 -2.53 0.00 -1.26 -4.95 120.51 111.98 1hjr n ALA 156 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.99 1hjr n ALA 156 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 1hjr n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjr n MET 157 N 0.00 0.17 0.00 0.00 0.00 -1.26 -5.17 117.12 110.87 1hjr n MET 157 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1hjr n MET 157 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1hjr n MET 157 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91