#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2k s VAL 3 N 0.00 1.90 0.42 1.69 1.01 -1.26 -4.71 120.40 119.45 1r2k s VAL 3 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1r2k s VAL 3 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1r2k s VAL 3 CO 0.00 0.52 0.74 -0.55 0.00 0.00 0.00 175.10 175.81 1r2k s SER 4 N 0.82 6.39 0.06 3.32 0.15 -0.58 -4.99 113.70 118.88 1r2k s SER 4 Ca -0.08 0.96 0.23 0.00 0.70 0.00 0.00 55.95 57.76 1r2k s SER 4 Cb -0.16 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1r2k s SER 4 CO -0.01 -0.44 1.00 0.35 1.20 0.00 0.00 173.24 175.34 1r2k n THR 5 N -1.66 0.21 -4.38 6.45 -2.24 -1.26 -4.09 114.28 107.31 1r2k n THR 5 Ca 0.01 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1r2k n THR 5 Cb 0.54 0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 1r2k n THR 5 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1r2k s GLU 6 N -3.24 1.37 0.24 -0.78 -1.05 -1.26 -5.01 118.70 108.98 1r2k s GLU 6 Ca 0.02 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.22 1r2k s GLU 6 Cb 0.14 -1.83 -0.10 0.00 -0.44 0.00 0.00 34.13 31.90 1r2k s GLU 6 CO 0.81 0.43 1.39 0.12 0.95 0.00 0.00 175.26 178.96 1r2k s PHE 7 N -1.09 3.09 -0.23 4.83 5.36 -1.26 -4.55 117.98 124.12 1r2k s PHE 7 Ca 0.13 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.24 1r2k s PHE 7 Cb -0.10 -3.74 0.05 0.00 -0.34 0.00 0.00 43.02 38.89 1r2k s PHE 7 CO 0.06 -2.36 -0.10 0.42 -1.46 0.00 0.00 175.22 171.78 1r2k s ILE 8 N -0.09 1.86 0.33 3.12 1.01 -1.26 -5.04 121.20 121.13 1r2k s ILE 8 Ca 0.57 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1r2k s ILE 8 Cb -0.40 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 39.98 1r2k s ILE 8 CO 0.43 0.06 1.45 -2.65 0.00 0.00 0.00 174.94 174.23 1r2k n PRO 9 N 4.58 2.45 -4.16 2.79 -0.02 -1.26 -4.67 135.00 134.71 1r2k n PRO 9 Ca -0.14 0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 1r2k n PRO 9 Cb 0.44 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 1r2k n PRO 9 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r2k s THR 10 N -0.67 4.18 -0.41 3.45 -4.23 -1.26 -4.91 115.64 111.79 1r2k s THR 10 Ca 0.59 -1.48 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 1r2k s THR 10 Cb -0.53 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1r2k s THR 10 CO 0.57 -0.30 0.48 -0.13 -0.54 0.00 0.00 174.62 174.70 1r2k s ARG 11 N -3.64 3.25 -0.08 3.99 3.00 -1.26 -2.23 118.95 121.98 1r2k s ARG 11 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 55.73 55.48 1r2k s ARG 11 Cb -0.08 -3.93 -0.03 0.00 0.00 0.00 0.00 34.95 30.92 1r2k s ARG 11 CO 0.23 -0.82 -0.07 0.42 0.00 0.00 0.00 175.30 175.06 1r2k s ILE 12 N 2.29 3.67 -0.06 1.52 1.01 -0.26 -1.10 121.20 128.28 1r2k s ILE 12 Ca 0.15 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1r2k s ILE 12 Cb -0.16 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1r2k s ILE 12 CO 0.14 0.58 -0.16 0.00 0.00 0.00 0.00 174.94 175.51 1r2k s ALA 13 N -0.63 2.56 -0.06 9.38 0.00 0.09 -0.69 121.76 132.41 1r2k s ALA 13 Ca 0.09 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1r2k s ALA 13 Cb -0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1r2k s ALA 13 CO 0.02 0.51 -0.18 0.42 0.00 0.00 0.00 175.76 176.52 1r2k s ILE 14 N -0.55 2.71 -0.05 0.00 1.01 -0.45 -1.00 121.20 122.87 1r2k s ILE 14 Ca 0.08 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1r2k s ILE 14 Cb -0.11 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1r2k s ILE 14 CO 0.01 0.57 -0.10 -0.22 0.00 0.00 0.00 174.94 175.21 1r2k s LEU 15 N -0.39 1.63 -0.18 2.97 2.96 0.23 -1.40 118.68 124.50 1r2k s LEU 15 Ca 0.04 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1r2k s LEU 15 Cb -0.12 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.88 1r2k s LEU 15 CO 0.02 0.03 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.14 1r2k s THR 16 N 0.55 3.61 -0.30 3.68 2.01 -0.38 -1.74 115.64 123.07 1r2k s THR 16 Ca -0.10 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 1r2k s THR 16 Cb -0.13 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1r2k s THR 16 CO 0.02 0.47 0.16 -0.69 -0.69 0.00 0.00 174.62 173.88 1r2k s VAL 17 N 0.76 4.72 -0.30 3.82 1.01 -0.72 -0.45 120.40 129.25 1r2k s VAL 17 Ca -0.02 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1r2k s VAL 17 Cb -0.15 -3.37 0.18 0.00 0.00 0.00 0.00 36.38 33.05 1r2k s VAL 17 CO 0.02 0.11 1.29 -0.55 0.00 0.00 0.00 175.10 175.97 1r2k s SER 18 N 1.64 -0.16 0.09 3.32 0.15 0.20 -4.36 113.70 114.59 1r2k s SER 18 Ca 0.05 0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 1r2k s SER 18 Cb -0.17 0.59 -0.23 0.00 -1.71 0.00 0.00 66.02 64.51 1r2k s SER 18 CO 0.07 -0.05 1.19 0.78 1.20 0.00 0.00 173.24 176.43 1r2k h ASN 19 N 4.17 0.45 0.06 5.45 -0.26 -1.90 -3.36 115.58 120.18 1r2k h ASN 19 Ca -0.27 -0.45 -0.37 0.00 -0.56 0.00 0.00 56.30 54.65 1r2k h ASN 19 Cb 1.18 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 38.25 1r2k h ASN 19 CO 0.19 1.32 -2.18 -2.11 -1.06 0.00 0.00 177.43 173.58 1r2k n ARG 20 N -3.59 0.69 -1.42 0.81 1.85 -1.26 -4.97 116.66 108.78 1r2k n ARG 20 Ca -0.08 0.24 -0.55 0.00 -1.00 0.00 0.00 57.85 56.45 1r2k n ARG 20 Cb 0.97 -1.62 -0.07 0.00 -1.05 0.00 0.00 32.46 30.69 1r2k n ARG 20 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1r2k n ARG 21 N -3.50 0.00 -4.39 2.89 3.00 -1.26 -4.99 116.66 108.42 1r2k n ARG 21 Ca -0.39 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.24 1r2k n ARG 21 Cb 0.99 -1.39 -0.10 0.00 0.00 0.00 0.00 32.46 31.97 1r2k n ARG 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1r2k s GLY 22 N -0.08 1.59 0.30 -0.13 0.00 -1.26 -4.96 107.32 102.78 1r2k s GLY 22 Ca 0.84 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1r2k s GLY 22 CO 0.54 -1.81 1.61 0.83 0.00 0.00 0.00 173.10 174.26 1r2k h GLU 23 N 2.51 0.09 -0.50 2.90 4.39 -1.95 0.54 114.58 122.57 1r2k h GLU 23 Ca -0.39 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.33 1r2k h GLU 23 Cb 1.23 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1r2k h GLU 23 CO 0.60 0.06 0.28 0.93 -1.16 0.00 0.00 179.01 179.73 1r2k h GLU 24 N 0.10 0.55 -0.76 2.33 4.39 -2.00 -2.80 114.58 116.38 1r2k h GLU 24 Ca 0.60 -0.03 -0.34 0.00 0.34 0.00 0.00 59.36 59.93 1r2k h GLU 24 Cb 1.29 -0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.61 1r2k h GLU 24 CO -0.78 0.36 0.37 -0.40 -1.16 0.00 0.00 179.01 177.40 1r2k n ASP 25 N -4.83 3.84 -4.09 1.42 3.85 0.04 -4.75 116.55 112.02 1r2k n ASP 25 Ca 0.04 -3.50 -0.43 0.00 -0.71 0.00 0.00 54.79 50.18 1r2k n ASP 25 Cb 0.09 -0.76 0.01 0.00 -1.35 0.00 0.00 41.12 39.11 1r2k n ASP 25 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1r2k n ASP 26 N -0.82 5.76 -0.16 -1.12 4.64 -0.36 -4.62 116.55 119.88 1r2k n ASP 26 Ca 0.47 -3.21 -0.07 0.00 -1.38 0.00 0.00 54.79 50.60 1r2k n ASP 26 Cb 1.43 -1.38 0.09 0.00 -1.04 0.00 0.00 41.12 40.22 1r2k n ASP 26 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1r2k h THR 27 N 3.70 1.26 -0.17 5.18 2.02 -1.86 -1.04 112.91 121.99 1r2k h THR 27 Ca 0.26 -1.09 -0.20 0.00 0.77 0.00 0.00 66.41 66.14 1r2k h THR 27 Cb 0.70 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1r2k h THR 27 CO 1.34 0.39 -0.70 0.28 0.37 0.00 0.00 175.52 177.20 1r2k h SER 28 N 0.87 0.84 -0.36 4.18 0.02 -1.88 -0.17 113.55 117.05 1r2k h SER 28 Ca 0.16 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1r2k h SER 28 Cb 0.51 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1r2k h SER 28 CO 0.03 1.30 0.19 1.23 -1.14 0.00 0.00 176.83 178.44 1r2k h GLY 29 N 0.77 0.54 0.98 -3.77 0.00 -1.91 -1.21 103.07 98.46 1r2k h GLY 29 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1r2k h GLY 29 CO 0.14 0.24 0.15 0.45 0.00 0.00 0.00 176.54 177.52 1r2k h HIS 30 N 0.46 0.85 -0.42 5.60 3.86 -1.09 -2.09 115.15 122.31 1r2k h HIS 30 Ca 0.13 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1r2k h HIS 30 Cb 0.07 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1r2k h HIS 30 CO -0.03 0.74 0.22 -0.92 0.86 0.00 0.00 177.93 178.81 1r2k h TYR 31 N 0.72 0.41 -0.38 2.45 3.20 -0.74 -0.68 116.97 121.96 1r2k h TYR 31 Ca 0.17 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1r2k h TYR 31 Cb 0.30 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1r2k h TYR 31 CO 0.02 0.22 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.65 1r2k h LEU 32 N 0.45 0.69 -0.02 2.82 3.38 -1.10 -0.16 115.31 121.36 1r2k h LEU 32 Ca 0.18 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1r2k h LEU 32 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1r2k h LEU 32 CO -0.11 0.86 -0.07 -0.09 0.09 0.00 0.00 178.44 179.12 1r2k h ARG 33 N 0.51 -0.11 -0.58 1.13 2.43 -1.20 0.19 114.38 116.75 1r2k h ARG 33 Ca 0.10 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1r2k h ARG 33 Cb 0.53 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1r2k h ARG 33 CO 0.03 -0.07 0.30 -0.44 -1.51 0.00 0.00 179.97 178.27 1r2k h ASP 34 N -0.12 0.75 -0.40 -3.80 3.45 -1.03 -0.65 116.42 114.63 1r2k h ASP 34 Ca 0.04 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 1r2k h ASP 34 Cb 0.17 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1r2k h ASP 34 CO -0.09 0.65 0.12 0.28 -1.57 0.00 0.00 179.24 178.63 1r2k h SER 35 N 0.79 0.58 -0.01 6.45 0.02 -0.87 -0.08 113.55 120.43 1r2k h SER 35 Ca 0.20 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1r2k h SER 35 Cb 0.09 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1r2k h SER 35 CO -0.03 0.64 0.01 0.00 -1.14 0.00 0.00 176.83 176.31 1r2k h ALA 36 N 0.97 0.01 -0.51 3.77 0.00 -0.72 -1.81 119.26 120.97 1r2k h ALA 36 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1r2k h ALA 36 Cb 0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r2k h ALA 36 CO -0.00 -0.49 0.25 1.96 0.00 0.00 0.00 179.25 180.97 1r2k h GLN 37 N 0.01 0.73 0.00 0.00 4.20 -1.03 -1.98 115.11 117.04 1r2k h GLN 37 Ca 0.00 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1r2k h GLN 37 Cb 0.00 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1r2k h GLN 37 CO -0.00 0.60 -0.13 1.49 -0.67 0.00 0.00 178.83 180.13 1r2k h GLU 38 N 0.68 0.00 0.00 1.46 4.81 -0.85 -1.12 114.58 119.56 1r2k h GLU 38 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1r2k h GLU 38 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1r2k h GLU 38 CO -0.02 0.13 0.00 0.00 -0.73 0.00 0.00 179.01 178.38 1r2k n ALA 39 N -2.46 2.22 0.00 2.92 0.00 -0.69 -4.91 120.51 117.58 1r2k n ALA 39 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1r2k n ALA 39 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1r2k n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r2k n GLY 40 N 1.23 0.75 3.85 0.00 0.00 -0.42 -5.06 105.19 105.53 1r2k n GLY 40 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1r2k n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r2k s HIS 41 N -2.00 3.41 -0.22 1.61 3.76 -0.79 -4.65 115.29 116.41 1r2k s HIS 41 Ca 0.00 1.36 -0.10 0.00 -0.15 0.00 0.00 55.06 56.17 1r2k s HIS 41 Cb 0.00 -2.79 -0.05 0.00 1.11 0.00 0.00 32.58 30.85 1r2k s HIS 41 CO 0.00 -0.87 0.14 -1.01 -0.85 0.00 0.00 174.74 172.15 1r2k s HIS 42 N -3.05 3.33 -0.45 1.40 0.09 -0.95 -4.17 115.29 111.48 1r2k s HIS 42 Ca 0.57 0.21 -0.20 0.00 -0.00 0.00 0.00 55.06 55.65 1r2k s HIS 42 Cb -0.12 -2.21 0.03 0.00 -0.00 0.00 0.00 32.58 30.28 1r2k s HIS 42 CO 0.52 0.13 0.59 0.08 -0.00 0.00 0.00 174.74 176.06 1r2k s VAL 43 N 0.78 4.90 -1.36 -0.90 1.01 -1.26 -1.10 120.40 122.47 1r2k s VAL 43 Ca 0.07 -0.15 0.24 0.00 0.00 0.00 0.00 61.98 62.14 1r2k s VAL 43 Cb -0.13 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1r2k s VAL 43 CO 0.02 -0.61 1.31 1.33 0.00 0.00 0.00 175.10 177.15 1r2k n VAL 44 N 5.70 0.00 -3.53 2.92 0.24 0.13 -4.95 118.33 118.85 1r2k n VAL 44 Ca -0.04 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 1r2k n VAL 44 Cb 0.47 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.39 1r2k n VAL 44 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r2k s ASP 45 N -2.79 -0.42 -0.23 -1.34 3.68 -1.24 -5.02 116.67 109.32 1r2k s ASP 45 Ca 0.15 0.24 -0.16 0.00 2.13 0.00 0.00 52.55 54.92 1r2k s ASP 45 Cb 0.18 0.39 0.07 0.00 -1.45 0.00 0.00 42.92 42.11 1r2k s ASP 45 CO 0.67 -0.55 0.58 -0.75 0.13 0.00 0.00 175.17 175.25 1r2k s LYS 46 N -2.19 0.62 0.12 4.34 2.20 -1.26 -1.34 119.74 122.22 1r2k s LYS 46 Ca 0.00 0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 56.50 1r2k s LYS 46 Cb -0.01 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1r2k s LYS 46 CO -0.03 -0.13 0.18 0.00 -0.36 0.00 0.00 175.35 175.02 1r2k s ALA 47 N 1.07 0.12 -0.10 3.13 0.00 -0.49 -4.97 121.76 120.52 1r2k s ALA 47 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1r2k s ALA 47 Cb -0.06 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1r2k s ALA 47 CO -0.10 -0.54 -0.10 0.42 0.00 0.00 0.00 175.76 175.44 1r2k s ILE 48 N -3.94 1.11 0.33 0.00 1.01 -1.26 -1.25 121.20 117.21 1r2k s ILE 48 Ca 0.13 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1r2k s ILE 48 Cb 0.05 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 1r2k s ILE 48 CO -0.05 0.37 -0.08 0.68 0.00 0.00 0.00 174.94 175.86 1r2k s VAL 49 N 1.29 2.06 0.75 2.92 -7.23 0.41 -4.94 120.40 115.65 1r2k s VAL 49 Ca -0.03 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.86 1r2k s VAL 49 Cb -0.14 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1r2k s VAL 49 CO -0.04 -0.23 1.08 -0.54 -0.31 0.00 0.00 175.10 175.06 1r2k s LYS 50 N -3.65 2.46 0.00 4.82 -0.14 -1.26 -0.63 119.74 121.35 1r2k s LYS 50 Ca 0.32 1.03 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 1r2k s LYS 50 Cb 0.03 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 1r2k s LYS 50 CO 0.15 -1.46 0.42 0.39 -0.76 0.00 0.00 175.35 174.09 1r2k n GLU 51 N -3.38 0.55 -2.95 1.68 1.02 -1.26 -4.59 120.64 111.71 1r2k n GLU 51 Ca 0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 1r2k n GLU 51 Cb 0.54 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.66 1r2k n GLU 51 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1r2k s ASN 52 N 0.32 7.07 0.35 1.62 3.84 -1.26 -4.27 114.94 122.61 1r2k s ASN 52 Ca 0.00 1.30 0.03 0.00 0.21 0.00 0.00 52.86 54.39 1r2k s ASN 52 Cb 0.00 -2.45 0.65 0.00 -0.55 0.00 0.00 41.25 38.90 1r2k s ASN 52 CO 0.00 -0.18 2.01 -0.09 -2.79 0.00 0.00 177.10 176.05 1r2k h ARG 53 N 6.83 0.82 0.02 0.43 2.43 -1.87 -1.94 114.38 121.09 1r2k h ARG 53 Ca -0.40 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.52 1r2k h ARG 53 Cb 1.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1r2k h ARG 53 CO 0.76 0.54 -0.92 1.88 -1.51 0.00 0.00 179.97 180.72 1r2k h TYR 54 N 0.85 0.26 -0.28 2.20 -1.99 -1.95 -1.97 116.97 114.08 1r2k h TYR 54 Ca 0.24 -0.16 -0.18 0.00 2.00 0.00 0.00 58.73 60.63 1r2k h TYR 54 Cb -0.07 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 1r2k h TYR 54 CO -0.00 1.00 -0.54 0.00 -0.00 0.00 0.00 178.16 178.61 1r2k h ALA 55 N 0.95 0.49 -0.32 3.88 0.00 -1.84 -1.86 119.26 120.57 1r2k h ALA 55 Ca -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1r2k h ALA 55 Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1r2k h ALA 55 CO 0.14 0.68 0.13 0.82 0.00 0.00 0.00 179.25 181.02 1r2k h ILE 56 N 0.65 1.18 -0.54 0.00 2.04 -1.36 -2.61 117.51 116.86 1r2k h ILE 56 Ca 0.02 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1r2k h ILE 56 Cb 1.15 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1r2k h ILE 56 CO 0.12 0.19 0.18 0.03 0.00 0.00 0.00 178.15 178.67 1r2k h ARG 57 N 0.36 0.80 -0.10 2.37 3.08 -1.28 -1.77 114.38 117.85 1r2k h ARG 57 Ca 0.11 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1r2k h ARG 57 Cb 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1r2k h ARG 57 CO -0.01 0.69 -0.03 0.00 -1.07 0.00 0.00 179.97 179.54 1r2k h ALA 58 N 1.41 0.13 -0.07 0.04 0.00 -1.26 -0.37 119.26 119.15 1r2k h ALA 58 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r2k h ALA 58 Cb 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r2k h ALA 58 CO -0.01 -0.12 -0.02 0.37 0.00 0.00 0.00 179.25 179.47 1r2k h GLN 59 N -0.15 0.13 -0.40 0.00 5.75 -1.42 -2.61 115.11 116.41 1r2k h GLN 59 Ca 0.02 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 1r2k h GLN 59 Cb 0.46 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 1r2k h GLN 59 CO 0.01 0.47 -0.00 0.28 -2.65 0.00 0.00 178.83 176.94 1r2k h VAL 60 N -0.22 1.22 -0.19 2.39 2.07 -1.38 -2.60 116.25 117.54 1r2k h VAL 60 Ca 0.02 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 1r2k h VAL 60 Cb 0.42 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1r2k h VAL 60 CO 0.01 0.31 -0.38 0.28 0.02 0.00 0.00 177.57 177.81 1r2k h SER 61 N 0.60 0.44 -0.45 0.57 0.02 -1.07 -0.37 113.55 113.30 1r2k h SER 61 Ca 0.12 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1r2k h SER 61 Cb 0.38 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1r2k h SER 61 CO 0.01 0.78 0.18 0.00 -1.14 0.00 0.00 176.83 176.66 1r2k h ALA 62 N 1.25 0.58 -0.06 3.77 0.00 -1.24 -1.70 119.26 121.85 1r2k h ALA 62 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1r2k h ALA 62 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1r2k h ALA 62 CO 0.07 0.19 -0.45 -1.49 0.00 0.00 0.00 179.25 177.57 1r2k h TRP 63 N 0.58 0.17 -0.30 0.00 6.55 -1.21 -1.88 115.95 119.86 1r2k h TRP 63 Ca 0.15 -0.05 -0.11 0.00 0.95 0.00 0.00 58.89 59.83 1r2k h TRP 63 Cb 0.20 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1r2k h TRP 63 CO 0.00 0.57 -0.27 0.82 -1.05 0.00 0.00 178.44 178.52 1r2k h ILE 64 N 0.12 1.27 0.00 1.49 2.04 -0.81 -3.13 117.51 118.49 1r2k h ILE 64 Ca 0.01 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1r2k h ILE 64 Cb 0.84 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1r2k h ILE 64 CO 0.07 0.44 -0.33 0.00 0.00 0.00 0.00 178.15 178.32 1r2k h ALA 65 N 1.17 0.78 -2.35 1.87 0.00 -1.12 -3.45 119.26 116.16 1r2k h ALA 65 Ca 0.07 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.47 1r2k h ALA 65 Cb 0.74 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.63 1r2k h ALA 65 CO 0.06 0.00 0.36 -1.54 0.00 0.00 0.00 179.25 178.13 1r2k s SER 66 N -4.43 5.19 0.14 0.00 1.04 -0.72 -4.99 113.70 109.93 1r2k s SER 66 Ca 0.08 1.77 0.05 0.00 0.48 0.00 0.00 55.95 58.33 1r2k s SER 66 Cb 0.13 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.61 1r2k s SER 66 CO 0.66 -1.57 1.31 0.44 0.98 0.00 0.00 173.24 175.07 1r2k h ASP 67 N -0.46 0.11 0.29 7.02 3.32 -1.91 -3.39 116.42 121.40 1r2k h ASP 67 Ca -0.45 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.30 1r2k h ASP 67 Cb 1.22 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1r2k h ASP 67 CO 0.55 1.01 -1.89 -0.90 -1.72 0.00 0.00 179.24 176.29 1r2k n ASP 68 N -3.49 0.35 -4.66 6.45 5.75 -1.26 -4.77 116.55 114.93 1r2k n ASP 68 Ca -0.02 0.15 -0.43 0.00 -0.01 0.00 0.00 54.79 54.48 1r2k n ASP 68 Cb 0.89 0.91 -0.02 0.00 -1.03 0.00 0.00 41.12 41.87 1r2k n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1r2k s VAL 69 N -2.93 4.54 -0.14 2.12 1.01 -1.26 -4.64 120.40 119.09 1r2k s VAL 69 Ca -0.07 1.85 0.18 0.00 0.00 0.00 0.00 61.98 63.95 1r2k s VAL 69 Cb 0.09 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 32.00 1r2k s VAL 69 CO 0.84 -0.18 0.28 0.00 0.00 0.00 0.00 175.10 176.04 1r2k n GLN 70 N 6.45 0.67 -3.94 2.72 6.02 -0.26 -4.82 117.38 124.22 1r2k n GLN 70 Ca 0.13 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.96 1r2k n GLN 70 Cb 0.46 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 29.99 1r2k n GLN 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1r2k s VAL 71 N -2.76 0.14 -0.17 5.09 1.01 -0.74 -1.22 120.40 121.75 1r2k s VAL 71 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1r2k s VAL 71 Cb 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.28 1r2k s VAL 71 CO 0.84 0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 175.18 1r2k s VAL 72 N 0.49 2.44 -0.22 2.92 1.01 0.12 -0.73 120.40 126.43 1r2k s VAL 72 Ca -0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1r2k s VAL 72 Cb -0.07 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1r2k s VAL 72 CO -0.01 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1r2k s LEU 73 N 1.12 3.24 -0.07 3.92 1.43 -0.17 -1.11 118.68 127.04 1r2k s LEU 73 Ca 0.00 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1r2k s LEU 73 Cb -0.14 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1r2k s LEU 73 CO -0.06 0.01 -0.23 -0.63 0.23 0.00 0.00 176.35 175.66 1r2k s ILE 74 N 1.34 2.19 -0.08 -0.59 1.01 0.29 -0.60 121.20 124.75 1r2k s ILE 74 Ca 0.04 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1r2k s ILE 74 Cb -0.15 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1r2k s ILE 74 CO 0.01 0.57 -0.21 0.28 0.00 0.00 0.00 174.94 175.59 1r2k s THR 75 N -0.09 1.78 0.00 2.92 -1.32 -0.71 -4.32 115.64 113.90 1r2k s THR 75 Ca -0.05 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1r2k s THR 75 Cb -0.14 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1r2k s THR 75 CO 0.04 0.50 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1r2k n GLY 76 N 3.50 1.95 1.89 6.08 0.00 -1.22 -1.76 105.19 115.64 1r2k n GLY 76 Ca -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1r2k n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2k n GLY 77 N 1.79 0.46 0.98 -0.02 0.00 -1.26 -4.67 105.19 102.48 1r2k n GLY 77 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1r2k n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r2k n THR 78 N -2.94 0.30 -0.74 2.61 -2.24 -1.26 -1.40 114.28 108.61 1r2k n THR 78 Ca 0.00 -0.65 -0.27 0.00 -2.27 0.00 0.00 64.05 60.85 1r2k n THR 78 Cb 0.00 1.16 0.24 0.00 -2.10 0.00 0.00 70.33 69.64 1r2k n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r2k n GLY 79 N 1.29 -3.15 1.11 3.38 0.00 -1.26 -1.25 105.19 105.31 1r2k n GLY 79 Ca 0.16 -1.42 0.10 0.00 0.00 0.00 0.00 46.02 44.86 1r2k n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r2k n LEU 80 N 0.00 3.24 0.00 0.99 4.77 -1.24 -4.73 117.00 120.03 1r2k n LEU 80 Ca 0.13 -1.56 -0.18 0.00 -0.03 0.00 0.00 56.01 54.37 1r2k n LEU 80 Cb 0.54 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1r2k n LEU 80 CO 0.37 0.78 0.51 0.35 -1.33 0.00 0.00 177.39 178.07 1r2k n THR 81 N 1.29 0.00 0.06 -5.08 -2.24 -1.26 -4.98 114.28 102.06 1r2k n THR 81 Ca 0.20 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 1r2k n THR 81 Cb 0.53 -1.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.09 1r2k n THR 81 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1r2k h GLU 82 N 0.00 0.45 -0.00 -0.78 4.57 -2.04 -3.28 114.58 113.50 1r2k h GLU 82 Ca -0.26 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1r2k h GLU 82 Cb 0.73 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1r2k h GLU 82 CO 0.18 1.11 -0.16 0.41 -1.18 0.00 0.00 179.01 179.38 1r2k n GLY 83 N 0.89 -1.36 3.58 1.92 0.00 -1.26 -4.75 105.19 104.21 1r2k n GLY 83 Ca -0.07 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1r2k n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r2k s ASP 84 N -2.93 6.14 0.00 1.61 1.01 -1.24 -4.73 116.67 116.54 1r2k s ASP 84 Ca 0.15 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.82 1r2k s ASP 84 Cb 0.19 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1r2k s ASP 84 CO 0.57 -1.67 0.71 0.00 0.21 0.00 0.00 175.17 174.99 1r2k n GLN 85 N 8.55 0.68 0.05 8.23 1.13 -1.16 -4.83 117.38 130.04 1r2k n GLN 85 Ca 0.14 -0.92 -0.12 0.00 -1.94 0.00 0.00 57.00 54.16 1r2k n GLN 85 Cb 0.49 -1.00 -0.05 0.00 0.11 0.00 0.00 30.24 29.79 1r2k n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1r2k h ALA 86 N 0.00 -0.42 -0.75 -1.58 0.00 -1.52 0.13 119.26 115.13 1r2k h ALA 86 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1r2k h ALA 86 Cb 0.21 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1r2k h ALA 86 CO 0.00 -0.81 0.49 -1.35 0.00 0.00 0.00 179.25 177.59 1r2k h PRO 87 N -0.44 0.97 -0.60 0.00 0.11 -1.88 -0.56 132.00 129.60 1r2k h PRO 87 Ca 0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1r2k h PRO 87 Cb 0.53 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1r2k h PRO 87 CO -0.26 0.64 0.16 0.93 -0.21 0.00 0.00 178.00 179.26 1r2k h GLU 88 N 0.99 0.92 -0.24 1.05 3.07 -1.81 -1.41 114.58 117.16 1r2k h GLU 88 Ca 0.28 -0.19 -0.17 0.00 -0.50 0.00 0.00 59.36 58.77 1r2k h GLU 88 Cb -0.09 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.68 1r2k h GLU 88 CO -0.07 0.81 -0.55 0.00 -1.40 0.00 0.00 179.01 177.81 1r2k h ALA 89 N 1.29 0.57 0.10 3.43 0.00 -0.28 -3.39 119.26 120.99 1r2k h ALA 89 Ca 0.19 -0.51 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 1r2k h ALA 89 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1r2k h ALA 89 CO -0.00 0.69 -1.38 -0.07 0.00 0.00 0.00 179.25 178.48 1r2k h LEU 90 N 0.56 0.35 -0.85 0.00 3.38 -0.94 -3.41 115.31 114.40 1r2k h LEU 90 Ca 0.01 -0.84 0.21 0.00 0.09 0.00 0.00 57.88 57.36 1r2k h LEU 90 Cb 1.13 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 1r2k h LEU 90 CO 0.11 1.60 0.07 -0.07 0.09 0.00 0.00 178.44 180.24 1r2k h LEU 91 N -0.36 -0.30 -0.88 1.67 3.38 -1.45 0.19 115.31 117.57 1r2k h LEU 91 Ca -0.30 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r2k h LEU 91 Cb 1.72 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1r2k h LEU 91 CO 0.04 -0.22 0.00 -0.81 0.09 0.00 0.00 178.44 177.54 1r2k n PRO 92 N -5.35 0.18 0.06 1.13 -0.04 -1.26 -2.31 135.00 127.40 1r2k n PRO 92 Ca 0.18 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1r2k n PRO 92 Cb 0.60 -1.89 0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1r2k n PRO 92 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1r2k h LEU 93 N 0.00 0.00 -9.92 1.53 3.38 -0.84 -3.47 115.31 105.99 1r2k h LEU 93 Ca 0.00 -0.21 -0.50 0.00 0.09 0.00 0.00 57.88 57.26 1r2k h LEU 93 Cb 0.26 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.05 1r2k h LEU 93 CO 0.00 0.11 0.46 -0.36 0.09 0.00 0.00 178.44 178.74 1r2k s PHE 94 N -3.18 3.26 -0.03 1.13 0.08 -0.98 -4.74 117.98 113.52 1r2k s PHE 94 Ca 0.05 1.62 -0.11 0.00 0.12 0.00 0.00 56.93 58.62 1r2k s PHE 94 Cb 0.13 -3.27 -0.31 0.00 -0.57 0.00 0.00 43.02 39.00 1r2k s PHE 94 CO 0.73 -0.89 0.73 -0.44 -0.10 0.00 0.00 175.22 175.25 1r2k h ASP 95 N 2.86 0.62 -5.07 1.36 3.45 -0.72 -3.48 116.42 115.44 1r2k h ASP 95 Ca -0.48 -0.89 -0.11 0.00 0.43 0.00 0.00 57.03 55.99 1r2k h ASP 95 Cb 1.22 -0.20 -0.17 0.00 -0.56 0.00 0.00 39.33 39.62 1r2k h ASP 95 CO 0.63 1.74 -0.38 -0.13 -1.57 0.00 0.00 179.24 179.54 1r2k s ARG 96 N -2.59 0.71 -0.07 3.56 0.52 -1.05 -5.02 118.95 115.01 1r2k s ARG 96 Ca -0.14 -0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1r2k s ARG 96 Cb 0.05 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 1r2k s ARG 96 CO 0.87 -0.21 0.07 -2.00 0.02 0.00 0.00 175.30 174.05 1r2k s GLU 97 N -2.58 3.17 -1.02 3.54 2.12 -1.26 -0.91 118.70 121.77 1r2k s GLU 97 Ca -0.05 -0.33 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 1r2k s GLU 97 Cb -0.01 -2.95 0.26 0.00 0.26 0.00 0.00 34.13 31.68 1r2k s GLU 97 CO -0.04 0.71 0.98 0.08 -0.54 0.00 0.00 175.26 176.45 1r2k s VAL 98 N -1.02 5.51 0.51 3.70 1.01 -0.56 -4.91 120.40 124.65 1r2k s VAL 98 Ca 0.17 -3.42 0.23 0.00 0.00 0.00 0.00 61.98 58.95 1r2k s VAL 98 Cb -0.12 -4.35 0.38 0.00 0.00 0.00 0.00 36.38 32.29 1r2k s VAL 98 CO 0.06 -1.14 2.00 -0.33 0.00 0.00 0.00 175.10 175.70 1r2k h GLU 99 N 6.64 0.07 -0.01 2.72 3.07 -1.96 -2.21 114.58 122.89 1r2k h GLU 99 Ca 0.16 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1r2k h GLU 99 Cb 0.88 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1r2k h GLU 99 CO 0.94 0.04 0.01 0.78 -1.40 0.00 0.00 179.01 179.38 1r2k h GLY 100 N 0.07 0.00 0.74 -3.84 0.00 -1.96 -3.14 103.07 94.94 1r2k h GLY 100 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1r2k h GLY 100 CO -0.02 0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.56 1r2k h PHE 101 N 0.00 -0.54 -0.80 5.60 3.57 -1.78 -1.73 116.94 121.26 1r2k h PHE 101 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1r2k h PHE 101 Cb 0.01 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1r2k h PHE 101 CO 0.00 -0.23 0.51 0.78 -2.23 0.00 0.00 178.31 177.14 1r2k h GLY 102 N -0.85 1.14 0.70 2.40 0.00 -1.75 -0.99 103.07 103.73 1r2k h GLY 102 Ca -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1r2k h GLY 102 CO 0.10 0.44 -0.10 0.83 0.00 0.00 0.00 176.54 177.81 1r2k h GLU 103 N 1.09 -0.26 -0.37 4.80 5.08 -1.53 -0.82 114.58 122.56 1r2k h GLU 103 Ca 0.29 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1r2k h GLU 103 Cb -0.08 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1r2k h GLU 103 CO -0.06 0.04 -0.03 0.28 -1.00 0.00 0.00 179.01 178.24 1r2k h VAL 104 N -0.57 1.22 -0.00 3.13 2.07 -1.26 -2.93 116.25 117.91 1r2k h VAL 104 Ca -0.03 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1r2k h VAL 104 Cb 0.42 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1r2k h VAL 104 CO 0.05 0.31 0.00 0.15 0.02 0.00 0.00 177.57 178.10 1r2k h PHE 105 N 0.57 0.00 0.00 1.57 3.57 -1.12 -0.90 116.94 120.63 1r2k h PHE 105 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1r2k h PHE 105 Cb 0.41 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1r2k h PHE 105 CO 0.02 0.25 0.00 0.54 -2.23 0.00 0.00 178.31 176.88 1r2k n ARG 106 N -4.97 0.09 0.00 1.11 1.74 -0.32 0.14 116.66 114.45 1r2k n ARG 106 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1r2k n ARG 106 Cb 0.14 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1r2k n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1r2k n LEU 108 N 1.04 0.00 0.08 0.55 4.77 -0.34 -0.28 117.00 122.81 1r2k n LEU 108 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1r2k n LEU 108 Cb 0.04 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.45 1r2k n LEU 108 CO 0.00 0.00 0.84 -1.28 -1.33 0.00 0.00 177.39 175.62 1r2k h SER 109 N 0.00 0.32 -0.78 -1.43 0.87 -0.54 -2.60 113.55 109.39 1r2k h SER 109 Ca 0.00 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1r2k h SER 109 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1r2k h SER 109 CO 0.00 0.51 0.42 0.15 -0.53 0.00 0.00 176.83 177.37 1r2k h PHE 110 N 0.31 1.08 0.00 2.24 3.57 -0.87 -0.30 116.94 122.97 1r2k h PHE 110 Ca 0.06 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1r2k h PHE 110 Cb 0.47 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1r2k h PHE 110 CO 0.01 0.77 -0.38 0.93 -2.23 0.00 0.00 178.31 177.40 1r2k h GLU 111 N 1.08 0.00 0.08 1.11 5.08 -1.75 -0.79 114.58 119.39 1r2k h GLU 111 Ca 0.27 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.40 1r2k h GLU 111 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1r2k h GLU 111 CO -0.04 0.38 -1.21 1.49 -1.00 0.00 0.00 179.01 178.63 1r2k h GLU 112 N 0.00 0.16 -0.00 2.33 4.81 -1.03 -3.41 114.58 117.43 1r2k h GLU 112 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1r2k h GLU 112 Cb 0.72 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1r2k h GLU 112 CO 0.05 1.13 -0.00 0.44 -0.73 0.00 0.00 179.01 179.90 1r2k n ILE 113 N -4.12 0.00 -4.06 2.32 -5.35 -0.18 -5.11 119.36 102.86 1r2k n ILE 113 Ca -0.25 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1r2k n ILE 113 Cb 0.80 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.75 1r2k n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r2k n GLY 114 N 0.18 -0.44 0.24 3.28 0.00 -0.30 -3.94 105.19 104.21 1r2k n GLY 114 Ca 0.01 -1.11 0.16 0.00 0.00 0.00 0.00 46.02 45.09 1r2k n GLY 114 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1r2k h THR 115 N 0.00 0.00 0.00 2.61 1.35 -1.93 -1.99 112.91 112.95 1r2k h THR 115 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r2k h THR 115 Cb 0.00 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1r2k h THR 115 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 1r2k n SER 116 N -2.62 0.32 0.21 5.36 7.64 -1.25 -1.44 113.62 121.83 1r2k n SER 116 Ca -0.02 0.65 0.15 0.00 1.01 0.00 0.00 58.87 60.65 1r2k n SER 116 Cb 0.05 -0.69 0.65 0.00 -1.01 0.00 0.00 64.21 63.21 1r2k n SER 116 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1r2k h THR 117 N 0.00 0.00 0.00 0.44 1.35 -1.63 -2.14 112.91 110.93 1r2k h THR 117 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1r2k h THR 117 Cb 0.02 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1r2k h THR 117 CO 0.00 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 175.20 1r2k h LEU 118 N 0.00 0.00 0.00 3.87 3.38 -1.52 -3.03 115.31 118.02 1r2k h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r2k h LEU 118 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1r2k h LEU 118 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1r2k n GLN 119 N -2.67 0.55 -4.44 1.13 1.13 -0.80 -4.84 117.38 107.44 1r2k n GLN 119 Ca 0.00 0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.80 1r2k n GLN 119 Cb 0.21 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.93 1r2k n GLN 119 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1r2k s SER 120 N -2.41 3.06 -0.47 1.08 0.01 -1.15 -3.64 113.70 110.18 1r2k s SER 120 Ca 0.32 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 56.94 1r2k s SER 120 Cb 0.19 -0.21 0.40 0.00 0.21 0.00 0.00 66.02 66.61 1r2k s SER 120 CO 0.40 0.16 1.04 0.54 0.41 0.00 0.00 173.24 175.79 1r2k n ARG 121 N 1.11 3.13 -1.65 12.44 1.74 -0.38 -4.98 116.66 128.06 1r2k n ARG 121 Ca -0.18 -4.49 -0.42 0.00 -0.77 0.00 0.00 57.85 51.98 1r2k n ARG 121 Cb 0.53 -2.16 -0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1r2k n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r2k n ALA 122 N -0.35 0.68 -3.43 7.54 0.00 -1.26 -4.85 120.51 118.83 1r2k n ALA 122 Ca 0.34 0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.94 1r2k n ALA 122 Cb 0.59 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 1r2k n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r2k s VAL 123 N -1.15 0.01 0.13 0.00 0.11 -0.85 -4.38 120.40 114.26 1r2k s VAL 123 Ca 0.59 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 1r2k s VAL 123 Cb -0.59 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1r2k s VAL 123 CO 0.60 -0.06 -0.09 0.00 -3.33 0.00 0.00 175.10 172.21 1r2k s ALA 124 N -1.65 1.28 0.28 1.54 0.00 -1.26 -0.88 121.76 121.06 1r2k s ALA 124 Ca -0.09 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.27 1r2k s ALA 124 Cb -0.01 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1r2k s ALA 124 CO 0.05 -0.12 0.88 0.20 0.00 0.00 0.00 175.76 176.77 1r2k s GLY 125 N -3.01 0.14 -0.04 0.00 0.00 -0.11 -1.49 107.32 102.81 1r2k s GLY 125 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1r2k s GLY 125 CO -0.01 0.56 -0.11 0.14 0.00 0.00 0.00 173.10 173.68 1r2k s VAL 126 N -2.65 0.95 -0.04 1.40 1.01 -0.08 -0.82 120.40 120.17 1r2k s VAL 126 Ca 0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1r2k s VAL 126 Cb -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1r2k s VAL 126 CO 0.08 0.30 0.06 0.00 0.00 0.00 0.00 175.10 175.53 1r2k s ALA 127 N 0.42 0.22 -1.52 5.51 0.00 -0.46 0.04 121.76 125.98 1r2k s ALA 127 Ca -0.08 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1r2k s ALA 127 Cb -0.12 -0.58 0.08 0.00 0.00 0.00 0.00 23.12 22.49 1r2k s ALA 127 CO 0.02 -0.45 1.01 -1.71 0.00 0.00 0.00 175.76 174.63 1r2k n ASN 128 N 5.19 -5.00 0.00 0.00 4.05 -1.26 0.06 115.26 118.30 1r2k n ASN 128 Ca -0.06 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1r2k n ASN 128 Cb 0.50 -4.00 0.00 0.00 1.23 0.00 0.00 39.78 37.51 1r2k n ASN 128 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1r2k n LYS 129 N -4.73 -0.12 -2.95 1.20 5.02 -1.26 -4.81 118.16 110.51 1r2k n LYS 129 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1r2k n LYS 129 Cb 0.53 -3.52 -0.04 0.00 -0.02 0.00 0.00 35.03 31.97 1r2k n LYS 129 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1r2k s THR 130 N -2.43 4.93 0.00 -0.18 2.01 0.11 -3.41 115.64 116.68 1r2k s THR 130 Ca 0.00 1.53 -0.24 0.00 0.31 0.00 0.00 61.69 63.29 1r2k s THR 130 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1r2k s THR 130 CO 0.00 0.08 0.75 -0.22 -0.69 0.00 0.00 174.62 174.54 1r2k s LEU 131 N 1.86 4.40 -0.11 4.42 0.20 -0.36 -1.35 118.68 127.74 1r2k s LEU 131 Ca 0.37 1.36 0.00 0.00 0.69 0.00 0.00 54.13 56.55 1r2k s LEU 131 Cb -0.17 -3.18 0.02 0.00 -0.43 0.00 0.00 46.19 42.43 1r2k s LEU 131 CO 0.13 -0.04 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.42 1r2k s ILE 132 N 0.28 1.17 -0.17 6.68 1.01 0.00 0.14 121.20 130.31 1r2k s ILE 132 Ca 0.39 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1r2k s ILE 132 Cb -0.19 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1r2k s ILE 132 CO 0.21 0.39 -0.17 -0.36 0.00 0.00 0.00 174.94 175.00 1r2k s PHE 133 N 1.45 2.78 0.12 3.97 0.40 -0.27 -0.93 117.98 125.50 1r2k s PHE 133 Ca 0.01 -1.35 0.07 0.00 -0.60 0.00 0.00 56.93 55.06 1r2k s PHE 133 Cb -0.13 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1r2k s PHE 133 CO -0.06 -0.65 -0.06 0.00 0.70 0.00 0.00 175.22 175.14 1r2k s ALA 134 N 1.09 3.07 0.48 5.36 0.00 -0.06 -0.55 121.76 131.16 1r2k s ALA 134 Ca -0.00 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1r2k s ALA 134 Cb -0.14 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1r2k s ALA 134 CO -0.06 0.61 0.71 -1.25 0.00 0.00 0.00 175.76 175.76 1r2k s PRO 136 N -2.42 2.89 0.44 0.00 0.04 -1.26 -2.01 135.00 132.68 1r2k s PRO 136 Ca 0.24 -0.59 0.24 0.00 0.04 0.00 0.00 61.00 60.93 1r2k s PRO 136 Cb -0.11 -2.53 0.93 0.00 0.04 0.00 0.00 34.50 32.83 1r2k s PRO 136 CO 0.16 -0.42 1.83 0.78 0.04 0.00 0.00 177.00 179.39 1r2k h GLY 137 N 0.29 0.00 -4.52 0.56 0.00 -1.87 -3.22 103.07 94.30 1r2k h GLY 137 Ca -0.45 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.31 1r2k h GLY 137 CO 0.55 0.00 0.63 -1.26 0.00 0.00 0.00 176.54 176.47 1r2k n SER 138 N -3.39 2.90 0.07 0.19 2.88 -1.26 -4.68 113.62 110.32 1r2k n SER 138 Ca 0.00 1.15 -0.08 0.00 -1.33 0.00 0.00 58.87 58.61 1r2k n SER 138 Cb 0.42 -1.46 0.05 0.00 -0.75 0.00 0.00 64.21 62.47 1r2k n SER 138 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1r2k h THR 139 N 3.01 1.40 -0.79 2.46 2.02 -1.95 -2.30 112.91 116.76 1r2k h THR 139 Ca -0.45 -2.18 -0.05 0.00 0.77 0.00 0.00 66.41 64.50 1r2k h THR 139 Cb 1.27 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 1r2k h THR 139 CO 0.74 0.65 0.31 0.50 0.37 0.00 0.00 175.52 178.09 1r2k h LYS 140 N 0.22 1.18 -0.49 6.66 3.64 -1.97 -0.78 116.57 125.04 1r2k h LYS 140 Ca -0.03 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1r2k h LYS 140 Cb 1.29 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1r2k h LYS 140 CO 0.12 0.96 0.31 0.00 -2.27 0.00 0.00 179.45 178.57 1r2k h ALA 141 N 1.16 0.62 -0.91 5.00 0.00 -1.88 -1.08 119.26 122.18 1r2k h ALA 141 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1r2k h ALA 141 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1r2k h ALA 141 CO -0.02 0.03 0.57 0.00 0.00 0.00 0.00 179.25 179.83 1r2k h ARG 143 N 1.25 0.99 -0.37 0.00 3.08 -0.58 0.11 114.38 118.85 1r2k h ARG 143 Ca 0.33 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1r2k h ARG 143 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1r2k h ARG 143 CO -0.07 0.84 -0.03 1.15 -1.07 0.00 0.00 179.97 180.79 1r2k h THR 144 N 0.96 1.27 -0.22 2.04 2.02 -0.70 -2.16 112.91 116.12 1r2k h THR 144 Ca 0.22 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1r2k h THR 144 Cb 0.26 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1r2k h THR 144 CO -0.01 0.35 -0.07 0.00 0.37 0.00 0.00 175.52 176.16 1r2k h ALA 145 N 0.85 0.30 0.31 6.16 0.00 -0.86 -2.87 119.26 123.16 1r2k h ALA 145 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1r2k h ALA 145 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r2k h ALA 145 CO 0.03 0.10 -0.15 2.35 0.00 0.00 0.00 179.25 181.58 1r2k h TRP 146 N 0.15 -0.39 -0.50 0.00 2.91 -0.80 -0.75 115.95 116.56 1r2k h TRP 146 Ca 0.05 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 59.94 1r2k h TRP 146 Cb 0.54 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 1r2k h TRP 146 CO 0.06 -0.10 -0.17 0.93 -1.03 0.00 0.00 178.44 178.13 1r2k h GLU 147 N -0.66 1.00 0.00 2.65 5.08 -1.51 0.27 114.58 121.40 1r2k h GLU 147 Ca -0.04 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1r2k h GLU 147 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1r2k h GLU 147 CO 0.07 1.07 -1.13 0.09 -1.00 0.00 0.00 179.01 178.11 1r2k n ASN 148 N -4.13 0.62 0.09 1.42 3.02 -1.08 -4.61 115.26 110.59 1r2k n ASN 148 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1r2k n ASN 148 Cb 0.43 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 1r2k n ASN 148 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1r2k n ILE 149 N -1.86 0.68 -0.03 2.41 5.41 -0.84 -4.88 119.36 120.24 1r2k n ILE 149 Ca 0.02 0.22 -0.14 0.00 1.00 0.00 0.00 62.75 63.85 1r2k n ILE 149 Cb 0.42 -1.12 -0.10 0.00 -0.71 0.00 0.00 39.64 38.13 1r2k n ILE 149 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1r2k h ILE 150 N 0.00 1.47 -0.44 1.39 2.04 -1.16 -3.14 117.51 117.68 1r2k h ILE 150 Ca 0.00 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.37 1r2k h ILE 150 Cb 0.02 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1r2k h ILE 150 CO 0.00 0.41 0.21 0.00 0.00 0.00 0.00 178.15 178.77 1r2k h ALA 151 N 0.40 0.54 -0.98 1.87 0.00 -1.17 -1.30 119.26 118.62 1r2k h ALA 151 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1r2k h ALA 151 Cb 0.71 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1r2k h ALA 151 CO 0.02 -0.16 0.64 -1.35 0.00 0.00 0.00 179.25 178.40 1r2k h PRO 152 N 0.42 1.14 0.00 0.00 0.11 -1.78 -2.39 132.00 129.50 1r2k h PRO 152 Ca 0.19 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1r2k h PRO 152 Cb 0.11 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1r2k h PRO 152 CO -0.15 0.76 0.00 1.96 -0.21 0.00 0.00 178.00 180.36 1r2k h GLN 153 N 1.18 0.00 -0.01 1.05 1.08 -1.26 -2.89 115.11 114.25 1r2k h GLN 153 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1r2k h GLN 153 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1r2k h GLN 153 CO -0.15 0.00 -0.12 1.28 -0.95 0.00 0.00 178.83 178.89 1r2k n LEU 154 N -2.54 1.55 -4.52 1.46 4.77 -0.58 -1.98 117.00 115.16 1r2k n LEU 154 Ca 0.04 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1r2k n LEU 154 Cb 0.42 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1r2k n LEU 154 CO 0.30 0.27 0.15 -0.62 -1.33 0.00 0.00 177.39 176.15 1r2k s ASP 155 N -2.20 6.23 0.55 -1.43 3.68 -1.05 -4.83 116.67 117.62 1r2k s ASP 155 Ca 0.31 -0.39 0.27 0.00 2.13 0.00 0.00 52.55 54.87 1r2k s ASP 155 Cb 0.20 -2.24 1.48 0.00 -1.45 0.00 0.00 42.92 40.91 1r2k s ASP 155 CO 0.41 -0.52 1.81 0.00 0.13 0.00 0.00 175.17 176.99 1r2k h ALA 156 N 8.62 1.22 -0.01 3.66 0.00 -1.86 -0.20 119.26 130.70 1r2k h ALA 156 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1r2k h ALA 156 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1r2k h ALA 156 CO 0.78 -0.22 -0.13 0.54 0.00 0.00 0.00 179.25 180.21 1r2k n ARG 157 N -2.65 1.08 -2.34 0.00 1.74 -1.26 -1.53 116.66 111.69 1r2k n ARG 157 Ca -0.02 -0.57 -0.43 0.00 -0.77 0.00 0.00 57.85 56.07 1r2k n ARG 157 Cb 0.29 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1r2k n ARG 157 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1r2k s THR 158 N -2.31 4.15 0.12 0.55 2.01 -0.09 -4.82 115.64 115.25 1r2k s THR 158 Ca 0.31 1.39 -0.07 0.00 0.31 0.00 0.00 61.69 63.62 1r2k s THR 158 Cb 0.20 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1r2k s THR 158 CO 0.45 -0.12 0.39 -0.13 -0.69 0.00 0.00 174.62 174.51 1r2k s ARG 159 N 3.61 3.67 0.32 4.92 0.52 -1.26 -3.06 118.95 127.66 1r2k s ARG 159 Ca 0.58 0.02 0.17 0.00 -0.52 0.00 0.00 55.73 55.98 1r2k s ARG 159 Cb -0.24 -2.90 0.18 0.00 0.52 0.00 0.00 34.95 32.52 1r2k s ARG 159 CO 0.17 0.50 1.50 -1.00 0.02 0.00 0.00 175.30 176.50 1r2k h PRO 160 N 3.18 0.00 -3.38 3.54 0.13 -2.01 -3.49 132.00 129.97 1r2k h PRO 160 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1r2k h PRO 160 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1r2k h PRO 160 CO 0.70 0.41 -0.04 0.00 -0.23 0.00 0.00 178.00 178.83 1r2k n ASN 162 N -0.27 -0.51 0.18 0.00 6.94 -1.26 -4.91 115.26 115.43 1r2k n ASN 162 Ca -0.14 -1.69 0.07 0.00 -0.02 0.00 0.00 54.58 52.80 1r2k n ASN 162 Cb 0.63 0.94 0.16 0.00 -2.36 0.00 0.00 39.78 39.15 1r2k n ASN 162 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 1r2k h PHE 163 N 1.37 0.00 -0.26 -2.53 0.04 -1.74 -3.42 116.94 110.40 1r2k h PHE 163 Ca -0.10 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.69 1r2k h PHE 163 Cb 0.44 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1r2k h PHE 163 CO 0.00 0.30 -0.15 1.58 -0.60 0.00 0.00 178.31 179.43 1r2k n HIS 164 N -3.21 -0.11 0.22 -0.55 -0.00 -1.26 -0.52 115.22 109.78 1r2k n HIS 164 Ca 0.02 0.32 0.18 0.00 -0.00 0.00 0.00 57.72 58.25 1r2k n HIS 164 Cb 0.61 -0.41 0.84 0.00 -0.00 0.00 0.00 29.99 31.03 1r2k n HIS 164 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1r2k h PRO 165 N 0.00 0.00 -0.21 1.57 0.13 -1.90 -2.65 132.00 128.94 1r2k h PRO 165 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1r2k h PRO 165 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1r2k h PRO 165 CO -0.24 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.25 1r2k n HIS 166 N -3.44 0.25 -2.52 1.56 8.25 0.32 -4.98 115.22 114.66 1r2k n HIS 166 Ca 0.02 -0.12 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 1r2k n HIS 166 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 1r2k n HIS 166 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1r2k s LEU 167 N -1.73 3.74 0.23 2.41 1.43 -1.00 -4.88 118.68 118.88 1r2k s LEU 167 Ca 0.34 1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.83 1r2k s LEU 167 Cb 0.21 -4.53 -0.16 0.00 0.03 0.00 0.00 46.19 41.75 1r2k s LEU 167 CO 0.31 -0.59 0.82 1.17 0.23 0.00 0.00 176.35 178.29 1r2k n LYS 168 N -1.25 0.74 -0.76 1.70 4.81 -1.22 -5.08 118.16 117.10 1r2k n LYS 168 Ca 0.07 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1r2k n LYS 168 Cb 0.54 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1r2k n LYS 168 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20