#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of3 h SER 0 N 0.00 0.00 -0.60 0.00 4.64 -2.12 -1.54 113.55 113.93 1of3 h SER 0 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1of3 h SER 0 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1of3 h SER 0 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 1of3 n ASN 1 N -2.86 4.29 -4.74 4.97 6.94 -1.26 -4.96 115.26 117.64 1of3 n ASN 1 Ca -0.01 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 51.77 1of3 n ASN 1 Cb 0.19 -0.54 -0.02 0.00 -2.36 0.00 0.00 39.78 37.05 1of3 n ASN 1 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1of3 s GLU 2 N -1.76 4.15 -0.05 -3.83 2.56 -0.58 -4.91 118.70 114.29 1of3 s GLU 2 Ca 0.46 2.52 -0.30 0.00 0.00 0.00 0.00 54.97 57.66 1of3 s GLU 2 Cb 0.29 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.32 1of3 s GLU 2 CO 0.23 -0.62 1.58 0.00 -0.56 0.00 0.00 175.26 175.89 1of3 s ALA 3 N 0.27 3.63 -1.53 6.30 0.00 -1.26 -4.88 121.76 124.29 1of3 s ALA 3 Ca 0.65 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.56 1of3 s ALA 3 Cb -0.47 -3.71 0.19 0.00 0.00 0.00 0.00 23.12 19.14 1of3 s ALA 3 CO 0.43 -1.28 1.03 0.54 0.00 0.00 0.00 175.76 176.48 1of3 n ARG 4 N 6.71 1.70 -3.98 0.00 1.74 -1.26 -4.88 116.66 116.68 1of3 n ARG 4 Ca 0.16 -0.77 -0.09 0.00 -0.77 0.00 0.00 57.85 56.38 1of3 n ARG 4 Cb 0.43 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1of3 n ARG 4 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1of3 s TYR 5 N -1.63 0.28 0.08 -1.55 2.02 -1.26 -1.23 117.35 114.06 1of3 s TYR 5 Ca 0.14 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 1of3 s TYR 5 Cb 0.09 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1of3 s TYR 5 CO 0.07 -0.27 -0.15 0.14 -1.57 0.00 0.00 175.55 173.77 1of3 s VAL 6 N -2.17 1.21 -0.11 0.71 -7.23 0.03 -4.85 120.40 108.00 1of3 s VAL 6 Ca -0.09 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1of3 s VAL 6 Cb -0.04 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.66 1of3 s VAL 6 CO -0.03 -0.22 1.90 -0.22 -0.31 0.00 0.00 175.10 176.21 1of3 s LEU 7 N -1.82 4.02 -0.19 1.32 2.96 -1.26 -1.26 118.68 122.44 1of3 s LEU 7 Ca 0.00 2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.02 1of3 s LEU 7 Cb -0.10 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.85 1of3 s LEU 7 CO 0.03 -1.32 0.05 0.00 -1.32 0.00 0.00 176.35 173.79 1of3 n ALA 8 N 8.78 1.18 -2.93 5.97 0.00 0.10 -4.92 120.51 128.69 1of3 n ALA 8 Ca 0.22 -0.87 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1of3 n ALA 8 Cb 0.43 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.39 1of3 n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1of3 s GLU 9 N -2.54 0.26 -0.09 0.00 0.41 -0.81 -4.99 118.70 110.93 1of3 s GLU 9 Ca -0.29 -0.45 -0.05 0.00 -0.41 0.00 0.00 54.97 53.77 1of3 s GLU 9 Cb 0.08 0.03 0.04 0.00 -1.78 0.00 0.00 34.13 32.50 1of3 s GLU 9 CO 0.68 -0.02 0.22 -2.00 -0.49 0.00 0.00 175.26 173.65 1of3 s GLU 10 N -1.05 0.18 -0.22 1.61 2.12 -1.26 -1.00 118.70 119.07 1of3 s GLU 10 Ca -0.11 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.71 1of3 s GLU 10 Cb -0.07 -0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.25 1of3 s GLU 10 CO -0.01 -0.16 -0.08 0.08 -0.54 0.00 0.00 175.26 174.56 1of3 s VAL 11 N 1.17 1.62 -1.71 3.70 1.01 0.37 -4.98 120.40 121.59 1of3 s VAL 11 Ca -0.09 -1.18 0.15 0.00 0.00 0.00 0.00 61.98 60.86 1of3 s VAL 11 Cb -0.10 -1.81 0.18 0.00 0.00 0.00 0.00 36.38 34.65 1of3 s VAL 11 CO -0.07 0.00 1.05 -0.90 0.00 0.00 0.00 175.10 175.18 1of3 n ASP 12 N 4.66 2.45 -3.18 3.32 5.68 -1.26 -1.45 116.55 126.77 1of3 n ASP 12 Ca -0.13 -1.70 -0.23 0.00 -0.50 0.00 0.00 54.79 52.23 1of3 n ASP 12 Cb 0.45 -0.07 0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1of3 n ASP 12 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1of3 n PHE 13 N 0.84 -1.87 0.17 2.11 3.72 -1.26 -4.61 117.46 116.55 1of3 n PHE 13 Ca 0.10 0.48 0.03 0.00 -0.05 0.00 0.00 57.45 58.01 1of3 n PHE 13 Cb 0.39 -3.69 0.39 0.00 -0.94 0.00 0.00 39.48 35.64 1of3 n PHE 13 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1of3 h SER 14 N -1.15 0.09 -3.71 4.37 4.64 -1.80 -3.33 113.55 112.66 1of3 h SER 14 Ca -0.47 -0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.14 1of3 h SER 14 Cb 1.32 -0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 63.19 1of3 h SER 14 CO 0.55 0.35 -0.71 -0.55 -0.87 0.00 0.00 176.83 175.60 1of3 s SER 15 N -6.93 4.53 0.59 4.97 0.15 -1.26 -4.84 113.70 110.90 1of3 s SER 15 Ca -0.04 -0.06 0.35 0.00 0.70 0.00 0.00 55.95 56.89 1of3 s SER 15 Cb 0.15 -1.14 1.87 0.00 -1.71 0.00 0.00 66.02 65.19 1of3 s SER 15 CO 0.72 0.35 2.21 1.55 1.20 0.00 0.00 173.24 179.28 1of3 h PRO 16 N 5.35 0.00 -0.11 5.44 0.13 -1.99 -2.34 132.00 138.48 1of3 h PRO 16 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1of3 h PRO 16 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1of3 h PRO 16 CO 0.52 0.04 0.04 0.93 -0.23 0.00 0.00 178.00 179.30 1of3 h GLU 17 N 0.00 0.14 -0.45 0.86 4.39 -1.96 -2.43 114.58 115.13 1of3 h GLU 17 Ca -0.00 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1of3 h GLU 17 Cb 0.15 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1of3 h GLU 17 CO 0.00 0.13 0.30 1.49 -1.16 0.00 0.00 179.01 179.77 1of3 h GLU 18 N 0.15 0.43 -0.25 2.33 4.57 -1.81 -2.33 114.58 117.67 1of3 h GLU 18 Ca 0.04 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1of3 h GLU 18 Cb 0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1of3 h GLU 18 CO -0.00 0.29 0.17 0.28 -1.18 0.00 0.00 179.01 178.56 1of3 h VAL 19 N 0.45 1.02 0.00 0.32 2.07 -1.62 -0.37 116.25 118.12 1of3 h VAL 19 Ca 0.19 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1of3 h VAL 19 Cb 0.19 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1of3 h VAL 19 CO -0.05 0.05 0.00 0.11 0.02 0.00 0.00 177.57 177.70 1of3 h LYS 20 N 0.26 0.00 -0.00 1.57 1.57 -1.57 0.02 116.57 118.42 1of3 h LYS 20 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1of3 h LYS 20 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1of3 h LYS 20 CO -0.02 0.00 -0.24 0.09 -0.57 0.00 0.00 179.45 178.71 1of3 n ASN 21 N -2.85 0.42 -4.87 0.86 3.02 -0.15 -4.89 115.26 106.81 1of3 n ASN 21 Ca -0.02 -0.23 -0.28 0.00 -0.03 0.00 0.00 54.58 54.02 1of3 n ASN 21 Cb 0.08 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1of3 n ASN 21 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1of3 s TRP 22 N -2.79 3.35 0.08 3.10 0.52 -0.01 -4.39 118.94 118.79 1of3 s TRP 22 Ca 0.18 0.10 -0.05 0.00 0.02 0.00 0.00 56.10 56.35 1of3 s TRP 22 Cb 0.19 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1of3 s TRP 22 CO 0.57 0.53 0.09 1.67 0.02 0.00 0.00 176.95 179.84 1of3 s TRP 23 N -1.65 0.34 -0.14 -1.98 -2.14 -0.39 -4.95 118.94 108.02 1of3 s TRP 23 Ca 0.33 -0.81 -0.28 0.00 2.66 0.00 0.00 56.10 58.00 1of3 s TRP 23 Cb -0.11 -0.21 -0.01 0.00 -3.10 0.00 0.00 33.47 30.03 1of3 s TRP 23 CO 0.26 -0.48 0.93 1.21 -2.66 0.00 0.00 176.95 176.21 1of3 s ASN 24 N -2.89 7.10 0.00 -2.66 2.47 -1.26 -1.05 114.94 116.65 1of3 s ASN 24 Ca 0.07 1.36 0.09 0.00 0.42 0.00 0.00 52.86 54.79 1of3 s ASN 24 Cb 0.06 -2.51 0.22 0.00 -1.45 0.00 0.00 41.25 37.58 1of3 s ASN 24 CO -0.10 -0.44 1.15 -1.54 -3.72 0.00 0.00 177.10 172.46 1of3 n SER 25 N 5.18 2.62 0.00 -4.21 3.41 -0.01 -4.96 113.62 115.65 1of3 n SER 25 Ca 0.07 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1of3 n SER 25 Cb 0.49 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1of3 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of3 n GLY 26 N 0.34 2.48 3.10 5.00 0.00 -1.22 -4.94 105.19 109.95 1of3 n GLY 26 Ca 0.09 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1of3 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of3 s THR 27 N -2.00 0.10 -0.18 2.61 -4.23 -1.26 -1.35 115.64 109.33 1of3 s THR 27 Ca 0.00 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1of3 s THR 27 Cb 0.00 -0.60 0.09 0.00 1.34 0.00 0.00 72.50 73.33 1of3 s THR 27 CO 0.00 -0.48 0.37 0.86 -0.54 0.00 0.00 174.62 174.83 1of3 s TRP 28 N -1.88 -0.69 -1.48 3.99 -0.11 -0.37 -4.89 118.94 113.52 1of3 s TRP 28 Ca -0.11 1.27 -0.04 0.00 1.22 0.00 0.00 56.10 58.44 1of3 s TRP 28 Cb -0.05 0.17 0.02 0.00 -1.50 0.00 0.00 33.47 32.10 1of3 s TRP 28 CO -0.01 -0.48 0.40 1.04 -4.62 0.00 0.00 176.95 173.29 1of3 n GLN 29 N 5.38 -3.71 -3.81 5.86 6.02 -1.26 -0.67 117.38 125.19 1of3 n GLN 29 Ca -0.07 0.80 -0.05 0.00 -0.01 0.00 0.00 57.00 57.66 1of3 n GLN 29 Cb 0.50 -5.56 -0.01 0.00 1.02 0.00 0.00 30.24 26.18 1of3 n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1of3 s ALA 30 N -3.03 -1.43 0.05 -1.58 0.00 -1.26 -4.55 121.76 109.96 1of3 s ALA 30 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1of3 s ALA 30 Cb -0.11 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1of3 s ALA 30 CO 0.29 -1.04 -0.03 -1.21 0.00 0.00 0.00 175.76 173.77 1of3 s GLU 31 N -3.37 0.57 0.24 0.00 2.02 -0.82 -4.87 118.70 112.47 1of3 s GLU 31 Ca 0.13 -1.11 -0.13 0.00 0.02 0.00 0.00 54.97 53.87 1of3 s GLU 31 Cb -0.03 0.16 -0.08 0.00 0.10 0.00 0.00 34.13 34.28 1of3 s GLU 31 CO 0.05 -0.09 0.63 -0.06 0.02 0.00 0.00 175.26 175.80 1of3 s PHE 32 N -3.41 3.48 0.00 1.61 0.08 -1.26 -0.80 117.98 117.67 1of3 s PHE 32 Ca 0.03 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1of3 s PHE 32 Cb 0.04 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1of3 s PHE 32 CO -0.08 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 1of3 n GLY 33 N 0.11 0.58 2.80 4.36 0.00 0.12 -4.83 105.19 108.33 1of3 n GLY 33 Ca -0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 1of3 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1of3 s SER 34 N -1.00 1.61 0.94 1.61 0.15 -1.26 -3.05 113.70 112.70 1of3 s SER 34 Ca 0.00 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 1of3 s SER 34 Cb 0.00 -0.50 0.15 0.00 -1.71 0.00 0.00 66.02 63.97 1of3 s SER 34 CO 0.00 -0.17 1.12 -2.16 1.20 0.00 0.00 173.24 173.23 1of3 s PRO 35 N 1.85 0.91 0.04 5.44 0.04 -1.26 -5.08 135.00 136.94 1of3 s PRO 35 Ca 0.04 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 1of3 s PRO 35 Cb -0.12 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 1of3 s PRO 35 CO -0.05 -2.37 1.31 0.38 0.04 0.00 0.00 177.00 176.31 1of3 h ASP 36 N -1.63 0.41 -4.67 6.66 2.03 -1.87 -3.40 116.42 113.95 1of3 h ASP 36 Ca -0.52 -0.52 -0.28 0.00 -0.73 0.00 0.00 57.03 54.99 1of3 h ASP 36 Cb 1.33 -0.12 -0.19 0.00 -0.83 0.00 0.00 39.33 39.52 1of3 h ASP 36 CO 0.60 0.85 -0.73 0.27 -1.03 0.00 0.00 179.24 179.20 1of3 s ILE 37 N -4.16 0.65 0.29 4.15 -4.36 -1.26 -1.67 121.20 114.85 1of3 s ILE 37 Ca -0.14 -1.35 -0.20 0.00 -0.26 0.00 0.00 60.65 58.70 1of3 s ILE 37 Cb 0.05 -0.97 0.05 0.00 1.25 0.00 0.00 42.46 42.84 1of3 s ILE 37 CO 0.76 -0.50 0.81 -1.83 0.24 0.00 0.00 174.94 174.42 1of3 s GLU 38 N -2.24 1.83 0.18 0.37 -1.05 -0.29 -5.00 118.70 112.50 1of3 s GLU 38 Ca -0.03 -1.10 -0.09 0.00 -0.15 0.00 0.00 54.97 53.60 1of3 s GLU 38 Cb -0.06 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.13 1of3 s GLU 38 CO -0.01 -0.85 0.50 -0.46 0.95 0.00 0.00 175.26 175.40 1of3 s TRP 39 N -3.05 3.48 -0.09 4.83 -0.00 -1.26 -0.50 118.94 122.36 1of3 s TRP 39 Ca 0.14 0.84 0.01 0.00 -0.00 0.00 0.00 56.10 57.08 1of3 s TRP 39 Cb -0.05 -2.22 0.02 0.00 -0.00 0.00 0.00 33.47 31.22 1of3 s TRP 39 CO 0.08 0.35 -0.10 1.21 -0.00 0.00 0.00 176.95 178.49 1of3 s ASN 40 N -2.21 1.94 0.02 5.86 3.84 -0.82 -4.83 114.94 118.74 1of3 s ASN 40 Ca 0.43 -0.29 0.24 0.00 0.21 0.00 0.00 52.86 53.45 1of3 s ASN 40 Cb -0.12 -0.82 0.38 0.00 -0.55 0.00 0.00 41.25 40.14 1of3 s ASN 40 CO 0.21 -0.05 1.32 0.61 -2.79 0.00 0.00 177.10 176.40 1of3 n GLY 41 N 4.39 -1.25 0.09 1.21 0.00 -1.26 -0.97 105.19 107.40 1of3 n GLY 41 Ca -0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1of3 n GLY 41 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1of3 h GLU 42 N 0.00 0.06 -5.99 1.61 4.57 -1.96 -3.24 114.58 109.63 1of3 h GLU 42 Ca 0.00 -0.10 -0.57 0.00 -1.18 0.00 0.00 59.36 57.51 1of3 h GLU 42 Cb 0.56 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.13 1of3 h GLU 42 CO 0.00 0.65 -0.03 0.08 -1.18 0.00 0.00 179.01 178.53 1of3 s VAL 43 N -2.59 5.01 -1.20 0.32 1.01 -1.26 -4.16 120.40 117.53 1of3 s VAL 43 Ca -0.08 1.20 -0.08 0.00 0.00 0.00 0.00 61.98 63.02 1of3 s VAL 43 Cb 0.08 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1of3 s VAL 43 CO 0.81 0.37 0.40 0.61 0.00 0.00 0.00 175.10 177.29 1of3 n GLY 44 N 2.76 -0.48 4.37 4.51 0.00 -1.26 -0.44 105.19 114.65 1of3 n GLY 44 Ca -0.06 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1of3 n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1of3 n ASN 45 N -2.19 0.00 0.00 1.61 4.05 -1.26 -4.64 115.26 112.83 1of3 n ASN 45 Ca -0.03 -1.25 0.00 0.00 0.45 0.00 0.00 54.58 53.75 1of3 n ASN 45 Cb 0.55 -1.68 0.00 0.00 1.23 0.00 0.00 39.78 39.87 1of3 n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1of3 n GLY 46 N -2.10 2.88 3.28 8.20 0.00 0.42 -4.51 105.19 113.36 1of3 n GLY 46 Ca -0.19 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1of3 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of3 s ALA 47 N 0.00 -0.67 -0.18 4.61 0.00 -0.14 -4.52 121.76 120.85 1of3 s ALA 47 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1of3 s ALA 47 Cb 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1of3 s ALA 47 CO 0.00 -0.60 0.83 -1.17 0.00 0.00 0.00 175.76 174.82 1of3 s LEU 48 N -2.83 4.17 -0.25 0.00 2.96 -0.38 -1.94 118.68 120.41 1of3 s LEU 48 Ca 0.04 1.16 -0.13 0.00 -0.22 0.00 0.00 54.13 54.98 1of3 s LEU 48 Cb 0.03 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1of3 s LEU 48 CO -0.11 -0.41 0.26 -1.58 -1.32 0.00 0.00 176.35 173.19 1of3 s GLN 49 N 2.22 4.05 -0.21 1.98 0.74 0.35 -0.87 119.66 127.91 1of3 s GLN 49 Ca 0.38 -0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.61 1of3 s GLN 49 Cb -0.16 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1of3 s GLN 49 CO 0.12 -0.10 0.04 -0.51 -0.55 0.00 0.00 175.29 174.28 1of3 s LEU 50 N 1.53 3.42 -0.45 3.68 1.02 0.34 -1.14 118.68 127.08 1of3 s LEU 50 Ca 0.11 -0.15 -0.20 0.00 0.02 0.00 0.00 54.13 53.92 1of3 s LEU 50 Cb -0.15 -1.89 0.03 0.00 0.02 0.00 0.00 46.19 44.21 1of3 s LEU 50 CO 0.08 0.05 0.59 0.20 0.02 0.00 0.00 176.35 177.29 1of3 s ASN 51 N 1.10 6.27 0.24 2.29 0.01 -0.67 -0.28 114.94 123.89 1of3 s ASN 51 Ca 0.03 -0.55 0.11 0.00 -0.71 0.00 0.00 52.86 51.74 1of3 s ASN 51 Cb -0.14 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 1of3 s ASN 51 CO 0.02 -0.76 -0.21 0.68 -1.51 0.00 0.00 177.10 175.32 1of3 s VAL 52 N 2.62 2.36 -0.27 1.60 -7.23 -0.60 0.15 120.40 119.03 1of3 s VAL 52 Ca 0.18 -2.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1of3 s VAL 52 Cb -0.16 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 34.67 1of3 s VAL 52 CO 0.16 -0.31 0.08 -0.54 -0.31 0.00 0.00 175.10 174.19 1of3 s LYS 53 N -3.18 0.66 -0.30 4.82 1.02 0.02 -1.84 119.74 120.94 1of3 s LYS 53 Ca 0.26 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 1of3 s LYS 53 Cb -0.06 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1of3 s LYS 53 CO 0.12 -0.89 0.06 -0.51 -0.92 0.00 0.00 175.35 173.21 1of3 s LEU 54 N 1.74 3.86 0.53 3.17 1.43 0.21 -1.94 118.68 127.67 1of3 s LEU 54 Ca 0.06 -0.87 0.34 0.00 -1.03 0.00 0.00 54.13 52.64 1of3 s LEU 54 Cb -0.17 -1.83 1.51 0.00 0.03 0.00 0.00 46.19 45.72 1of3 s LEU 54 CO -0.22 -0.22 2.01 -0.65 0.23 0.00 0.00 176.35 177.51 1of3 h PRO 55 N 8.18 0.00 -2.13 1.29 0.11 -1.82 -0.94 132.00 136.70 1of3 h PRO 55 Ca -0.29 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.50 1of3 h PRO 55 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1of3 h PRO 55 CO 0.59 0.00 -0.40 0.41 -0.21 0.00 0.00 178.00 178.40 1of3 n GLY 56 N -0.19 -0.11 0.02 -0.55 0.00 -1.24 -4.58 105.19 98.54 1of3 n GLY 56 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1of3 n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1of3 n LYS 57 N -2.53 0.62 -4.35 1.61 5.02 -1.26 -4.39 118.16 112.87 1of3 n LYS 57 Ca -0.19 -0.17 -0.18 0.00 -2.02 0.00 0.00 58.31 55.76 1of3 n LYS 57 Cb 0.63 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1of3 n LYS 57 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1of3 s SER 58 N -4.48 1.47 0.00 4.39 0.15 -1.26 -4.92 113.70 109.05 1of3 s SER 58 Ca -0.07 -1.41 0.28 0.00 0.70 0.00 0.00 55.95 55.45 1of3 s SER 58 Cb 0.14 0.16 1.19 0.00 -1.71 0.00 0.00 66.02 65.80 1of3 s SER 58 CO 0.90 -0.74 1.82 -0.90 1.20 0.00 0.00 173.24 175.52 1of3 n ASP 59 N -0.58 1.17 -3.39 5.45 5.75 -1.26 -1.03 116.55 122.66 1of3 n ASP 59 Ca -0.00 -1.42 -0.18 0.00 -0.01 0.00 0.00 54.79 53.17 1of3 n ASP 59 Cb 0.66 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.65 1of3 n ASP 59 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1of3 s TRP 60 N -1.97 -0.25 -0.28 2.11 -0.11 -1.22 -4.35 118.94 112.86 1of3 s TRP 60 Ca 0.39 -0.63 0.03 0.00 1.22 0.00 0.00 56.10 57.11 1of3 s TRP 60 Cb 0.20 -0.49 0.07 0.00 -1.50 0.00 0.00 33.47 31.75 1of3 s TRP 60 CO 0.33 -0.93 -0.06 -1.21 -4.62 0.00 0.00 176.95 170.45 1of3 s GLU 61 N 1.80 1.97 -0.05 5.86 2.02 0.07 -4.63 118.70 125.74 1of3 s GLU 61 Ca 0.14 -1.45 0.06 0.00 0.02 0.00 0.00 54.97 53.73 1of3 s GLU 61 Cb -0.15 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1of3 s GLU 61 CO -0.16 -0.67 -0.23 -2.00 0.02 0.00 0.00 175.26 172.21 1of3 s GLU 62 N 1.08 2.52 0.09 1.61 2.12 0.16 -0.29 118.70 125.99 1of3 s GLU 62 Ca -0.03 -0.87 0.08 0.00 0.36 0.00 0.00 54.97 54.51 1of3 s GLU 62 Cb -0.20 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 1of3 s GLU 62 CO -0.06 0.43 -0.22 0.14 -0.54 0.00 0.00 175.26 175.01 1of3 s VAL 63 N -0.28 1.79 -0.01 3.70 -7.23 -0.75 -1.24 120.40 116.38 1of3 s VAL 63 Ca 0.00 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1of3 s VAL 63 Cb -0.13 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1of3 s VAL 63 CO 0.03 0.02 0.03 -0.60 -0.31 0.00 0.00 175.10 174.26 1of3 s ARG 64 N -1.78 0.05 0.29 4.82 3.52 -0.46 -1.31 118.95 124.08 1of3 s ARG 64 Ca 0.08 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.73 1of3 s ARG 64 Cb -0.10 0.02 -0.06 0.00 -1.56 0.00 0.00 34.95 33.26 1of3 s ARG 64 CO 0.04 -0.01 0.04 0.14 -0.81 0.00 0.00 175.30 174.70 1of3 s VAL 65 N -0.05 1.12 0.18 7.11 -7.23 -0.86 -0.83 120.40 119.83 1of3 s VAL 65 Ca -0.01 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.94 1of3 s VAL 65 Cb -0.01 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1of3 s VAL 65 CO 0.00 -0.11 0.56 0.00 -0.31 0.00 0.00 175.10 175.23 1of3 s ALA 66 N -3.35 -1.26 -0.12 1.32 0.00 -0.21 0.36 121.76 118.49 1of3 s ALA 66 Ca 0.34 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 1of3 s ALA 66 Cb 0.07 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1of3 s ALA 66 CO 0.13 -0.79 0.55 0.50 0.00 0.00 0.00 175.76 176.15 1of3 s ARG 67 N -3.81 0.78 0.39 0.00 3.52 -0.74 -1.26 118.95 117.83 1of3 s ARG 67 Ca 0.05 0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 55.82 1of3 s ARG 67 Cb -0.01 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.66 1of3 s ARG 67 CO -0.08 -0.18 1.11 0.15 -0.81 0.00 0.00 175.30 175.49 1of3 s LYS 68 N -0.49 4.14 -0.15 5.12 1.02 -1.26 -1.18 119.74 126.94 1of3 s LYS 68 Ca -0.06 1.68 -0.04 0.00 0.02 0.00 0.00 55.97 57.56 1of3 s LYS 68 Cb -0.03 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1of3 s LYS 68 CO 0.04 -0.20 0.10 -0.06 -0.92 0.00 0.00 175.35 174.31 1of3 s PHE 69 N -1.51 0.11 0.34 3.18 0.08 -0.40 -4.90 117.98 114.89 1of3 s PHE 69 Ca 0.57 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1of3 s PHE 69 Cb -0.27 -0.61 0.60 0.00 -0.57 0.00 0.00 43.02 42.17 1of3 s PHE 69 CO 0.33 -0.47 1.96 1.49 -0.10 0.00 0.00 175.22 178.43 1of3 h GLU 70 N 8.41 0.76 -0.30 0.44 4.57 -1.94 -2.72 114.58 123.79 1of3 h GLU 70 Ca -0.15 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1of3 h GLU 70 Cb 1.14 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1of3 h GLU 70 CO 0.26 0.57 0.00 0.54 -1.18 0.00 0.00 179.01 179.21 1of3 n ARG 71 N -4.38 2.13 -0.30 1.92 1.74 -1.26 -4.58 116.66 111.92 1of3 n ARG 71 Ca 0.05 -1.71 0.14 0.00 -0.77 0.00 0.00 57.85 55.56 1of3 n ARG 71 Cb 0.11 -1.45 0.38 0.00 -1.02 0.00 0.00 32.46 30.49 1of3 n ARG 71 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1of3 h LEU 72 N 3.31 0.65 -2.70 0.55 5.85 -1.73 0.13 115.31 121.37 1of3 h LEU 72 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1of3 h LEU 72 Cb 0.73 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1of3 h LEU 72 CO 0.00 0.29 -0.01 0.77 -0.34 0.00 0.00 178.44 179.15 1of3 h SER 73 N 0.67 0.00 1.41 1.25 4.64 -1.76 -1.85 113.55 117.90 1of3 h SER 73 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1of3 h SER 73 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1of3 h SER 73 CO -0.25 0.01 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.29 1of3 h GLU 74 N 0.00 0.00 -6.49 4.77 5.08 -1.04 -3.19 114.58 113.71 1of3 h GLU 74 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1of3 h GLU 74 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1of3 h GLU 74 CO 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.85 1of3 n GLU 76 N -1.14 2.09 -4.46 0.00 1.02 -0.27 -3.78 120.64 114.10 1of3 n GLU 76 Ca -0.03 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 1of3 n GLU 76 Cb 0.54 -0.17 -0.16 0.00 -0.02 0.00 0.00 31.44 31.63 1of3 n GLU 76 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1of3 s ILE 77 N -0.29 0.90 -0.05 -3.67 1.01 -1.09 -0.66 121.20 117.35 1of3 s ILE 77 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1of3 s ILE 77 Cb 0.00 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 1of3 s ILE 77 CO 0.00 0.29 -0.19 -0.22 0.00 0.00 0.00 174.94 174.82 1of3 s LEU 78 N 0.38 2.46 0.06 2.97 2.96 0.27 -1.41 118.68 126.37 1of3 s LEU 78 Ca -0.07 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1of3 s LEU 78 Cb -0.11 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1of3 s LEU 78 CO 0.01 0.30 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.56 1of3 s GLU 79 N -0.47 1.11 0.17 1.98 2.02 -0.15 -0.40 118.70 122.95 1of3 s GLU 79 Ca 0.06 -0.92 -0.20 0.00 0.02 0.00 0.00 54.97 53.92 1of3 s GLU 79 Cb -0.12 -1.20 0.05 0.00 0.10 0.00 0.00 34.13 32.96 1of3 s GLU 79 CO 0.01 0.29 0.54 1.52 0.02 0.00 0.00 175.26 177.65 1of3 s TYR 80 N -0.95 -0.35 0.01 1.61 -0.85 -0.81 -0.34 117.35 115.67 1of3 s TYR 80 Ca 0.04 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.71 1of3 s TYR 80 Cb -0.09 0.46 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1of3 s TYR 80 CO 0.02 -0.85 -0.12 -0.51 -1.52 0.00 0.00 175.55 172.57 1of3 s ASP 81 N -2.80 4.26 -0.06 -0.18 1.01 0.01 -0.52 116.67 118.39 1of3 s ASP 81 Ca 0.04 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.09 1of3 s ASP 81 Cb -0.01 -0.89 -0.02 0.00 1.01 0.00 0.00 42.92 43.01 1of3 s ASP 81 CO -0.09 0.28 -0.16 -0.63 0.21 0.00 0.00 175.17 174.78 1of3 s ILE 82 N -0.93 2.89 -0.08 0.77 1.01 0.11 -1.09 121.20 123.88 1of3 s ILE 82 Ca 0.15 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1of3 s ILE 82 Cb -0.11 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1of3 s ILE 82 CO 0.06 0.58 -0.20 -0.31 0.00 0.00 0.00 174.94 175.07 1of3 s TYR 83 N -0.53 2.15 -0.13 3.97 2.02 -0.04 -0.48 117.35 124.31 1of3 s TYR 83 Ca 0.07 -0.82 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 1of3 s TYR 83 Cb -0.11 -1.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1of3 s TYR 83 CO 0.01 -0.34 -0.20 0.42 -1.57 0.00 0.00 175.55 173.87 1of3 s ILE 84 N 0.36 1.91 0.01 2.71 1.01 0.03 -0.44 121.20 126.79 1of3 s ILE 84 Ca -0.15 -0.89 -0.38 0.00 0.00 0.00 0.00 60.65 59.23 1of3 s ILE 84 Cb -0.16 -1.70 -0.17 0.00 0.01 0.00 0.00 42.46 40.44 1of3 s ILE 84 CO 0.06 0.52 1.36 -2.65 0.00 0.00 0.00 174.94 174.24 1of3 n PRO 85 N 4.06 0.95 -1.48 2.79 -0.02 -1.26 -0.11 135.00 139.92 1of3 n PRO 85 Ca -0.20 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1of3 n PRO 85 Cb 0.52 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1of3 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1of3 n ASN 86 N 2.80 6.33 -4.85 2.55 5.15 0.08 -4.71 115.26 122.61 1of3 n ASN 86 Ca 0.20 -2.69 -0.31 0.00 -0.60 0.00 0.00 54.58 51.18 1of3 n ASN 86 Cb 0.16 -1.58 0.01 0.00 -0.53 0.00 0.00 39.78 37.83 1of3 n ASN 86 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1of3 s VAL 87 N 2.73 4.49 0.28 3.44 -7.23 -1.26 -4.94 120.40 117.90 1of3 s VAL 87 Ca 0.59 0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 61.37 1of3 s VAL 87 Cb 0.16 -3.72 -0.12 0.00 0.56 0.00 0.00 36.38 33.26 1of3 s VAL 87 CO -0.07 -0.95 1.62 -0.62 -0.31 0.00 0.00 175.10 174.77 1of3 n GLU 88 N -2.50 2.72 -0.47 4.82 -0.58 -1.26 -2.33 120.64 121.05 1of3 n GLU 88 Ca 0.07 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1of3 n GLU 88 Cb 0.54 -2.76 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 1of3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1of3 n GLY 89 N 2.40 1.33 3.67 0.62 0.00 -1.26 -5.00 105.19 106.95 1of3 n GLY 89 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1of3 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1of3 n LEU 90 N 0.00 3.96 -3.73 0.99 7.94 -0.98 -4.95 117.00 120.23 1of3 n LEU 90 Ca 0.00 0.93 -0.14 0.00 -1.11 0.00 0.00 56.01 55.70 1of3 n LEU 90 Cb 0.00 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.37 1of3 n LEU 90 CO 0.00 0.13 0.08 -0.75 -1.11 0.00 0.00 177.39 175.74 1of3 s LYS 91 N 4.08 0.58 0.00 1.96 2.20 -1.26 -4.64 119.74 122.66 1of3 s LYS 91 Ca 0.89 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1of3 s LYS 91 Cb -0.51 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1of3 s LYS 91 CO 0.44 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1of3 n GLY 92 N 2.14 0.79 3.25 5.54 0.00 -1.26 -4.09 105.19 111.57 1of3 n GLY 92 Ca -0.17 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 1of3 n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1of3 s ARG 93 N -1.40 1.04 -0.03 1.61 3.52 -0.67 -0.74 118.95 122.28 1of3 s ARG 93 Ca 0.00 -1.11 0.06 0.00 -0.13 0.00 0.00 55.73 54.55 1of3 s ARG 93 Cb 0.00 -1.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1of3 s ARG 93 CO 0.00 0.28 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.38 1of3 s LEU 94 N -1.90 2.28 -0.46 -0.88 2.96 0.12 -0.28 118.68 120.53 1of3 s LEU 94 Ca 0.04 -0.38 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1of3 s LEU 94 Cb -0.10 -1.41 0.37 0.00 0.50 0.00 0.00 46.19 45.55 1of3 s LEU 94 CO 0.04 0.32 0.90 0.54 -1.32 0.00 0.00 176.35 176.84 1of3 n ARG 95 N 2.42 2.27 -2.11 1.98 1.74 0.75 -1.89 116.66 121.82 1of3 n ARG 95 Ca -0.16 -4.12 -0.37 0.00 -0.77 0.00 0.00 57.85 52.42 1of3 n ARG 95 Cb 0.51 -1.94 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1of3 n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1of3 s PRO 96 N -3.11 3.46 0.00 5.56 0.04 -1.26 -4.32 135.00 135.37 1of3 s PRO 96 Ca 0.43 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1of3 s PRO 96 Cb 0.35 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1of3 s PRO 96 CO -0.11 -0.83 0.00 2.48 0.04 0.00 0.00 177.00 178.59 1of3 n TYR 97 N -0.85 -0.35 -4.02 0.56 4.11 -0.56 -4.52 117.16 111.53 1of3 n TYR 97 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.90 1of3 n TYR 97 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.76 1of3 n TYR 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1of3 s ALA 98 N -1.38 -0.01 -0.02 -3.48 0.00 -0.96 -1.31 121.76 114.62 1of3 s ALA 98 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1of3 s ALA 98 Cb 0.00 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.23 1of3 s ALA 98 CO 0.00 -0.79 -0.01 0.08 0.00 0.00 0.00 175.76 175.04 1of3 s VAL 99 N -4.03 0.14 -0.09 0.00 1.01 0.39 -0.58 120.40 117.24 1of3 s VAL 99 Ca 0.24 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1of3 s VAL 99 Cb 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1of3 s VAL 99 CO 0.08 0.09 0.24 -0.76 0.00 0.00 0.00 175.10 174.76 1of3 s LEU 100 N 0.54 4.39 0.00 3.92 1.43 0.73 -0.49 118.68 129.20 1of3 s LEU 100 Ca -0.05 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 1of3 s LEU 100 Cb -0.08 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1of3 s LEU 100 CO -0.01 0.33 0.24 0.21 0.23 0.00 0.00 176.35 177.35 1of3 s ASN 101 N -0.78 -0.09 0.90 2.29 2.47 -0.65 -0.50 114.94 118.58 1of3 s ASN 101 Ca 0.18 -0.08 -0.13 0.00 0.42 0.00 0.00 52.86 53.25 1of3 s ASN 101 Cb -0.14 0.28 0.06 0.00 -1.45 0.00 0.00 41.25 40.00 1of3 s ASN 101 CO 0.07 -0.45 0.67 -2.65 -3.72 0.00 0.00 177.10 171.02 1of3 n PRO 102 N 1.22 -0.21 0.00 0.43 -0.02 -1.26 0.10 135.00 135.25 1of3 n PRO 102 Ca -0.21 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1of3 n PRO 102 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1of3 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1of3 n GLY 103 N 1.15 0.97 4.12 -1.23 0.00 -1.26 -4.54 105.19 104.39 1of3 n GLY 103 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1of3 n GLY 103 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1of3 n TRP 104 N -1.14 -1.30 -3.13 1.61 -0.00 -1.15 -4.87 117.44 107.46 1of3 n TRP 104 Ca 0.00 0.13 -0.44 0.00 -0.00 0.00 0.00 57.50 57.20 1of3 n TRP 104 Cb 0.00 -2.67 -0.06 0.00 -0.00 0.00 0.00 31.31 28.58 1of3 n TRP 104 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1of3 s VAL 105 N -3.71 4.83 -0.12 5.87 1.01 0.35 -4.89 120.40 123.74 1of3 s VAL 105 Ca 0.40 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1of3 s VAL 105 Cb -0.23 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1of3 s VAL 105 CO 0.95 -0.82 1.18 -0.54 0.00 0.00 0.00 175.10 175.88 1of3 s LYS 106 N 2.75 4.31 0.09 2.72 1.02 -1.26 -0.19 119.74 129.17 1of3 s LYS 106 Ca 0.17 1.59 0.10 0.00 0.02 0.00 0.00 55.97 57.85 1of3 s LYS 106 Cb -0.18 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1of3 s LYS 106 CO 0.13 -0.55 -0.25 0.96 -0.92 0.00 0.00 175.35 174.72 1of3 s ILE 107 N 2.78 2.35 -1.58 2.17 -4.36 0.26 -4.76 121.20 118.05 1of3 s ILE 107 Ca 0.53 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1of3 s ILE 107 Cb -0.22 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.49 1of3 s ILE 107 CO 0.17 0.20 0.00 0.61 0.24 0.00 0.00 174.94 176.16 1of3 n GLY 108 N 1.23 1.26 3.68 6.27 0.00 -1.26 -2.26 105.19 114.11 1of3 n GLY 108 Ca -0.17 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 1of3 n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1of3 n LEU 109 N -1.83 3.23 -3.21 0.99 4.77 -1.26 -4.27 117.00 115.41 1of3 n LEU 109 Ca -0.16 1.08 -0.19 0.00 -0.03 0.00 0.00 56.01 56.71 1of3 n LEU 109 Cb 0.53 -1.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1of3 n LEU 109 CO 0.23 -0.22 -0.30 0.47 -1.33 0.00 0.00 177.39 176.25 1of3 n ASP 110 N 3.53 -6.56 0.00 -1.43 8.00 -1.26 -5.07 116.55 113.76 1of3 n ASP 110 Ca 0.17 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1of3 n ASP 110 Cb 0.30 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 1of3 n ASP 110 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1of3 n ASN 112 N 0.28 0.00 -4.75 -2.24 3.02 -1.26 -5.11 115.26 105.19 1of3 n ASN 112 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 1of3 n ASN 112 Cb 0.51 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1of3 n ASN 112 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1of3 s ASN 113 N 0.00 5.32 -0.12 6.41 0.01 -1.26 -4.53 114.94 120.77 1of3 s ASN 113 Ca 0.00 2.44 -0.18 0.00 -0.71 0.00 0.00 52.86 54.40 1of3 s ASN 113 Cb 0.00 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.10 1of3 s ASN 113 CO 0.00 -1.51 0.47 0.00 -1.51 0.00 0.00 177.10 174.55 1of3 s ALA 114 N -1.54 -1.18 0.01 0.60 0.00 -0.80 -4.99 121.76 113.87 1of3 s ALA 114 Ca 0.75 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 1of3 s ALA 114 Cb -0.32 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1of3 s ALA 114 CO 0.35 -0.26 1.03 1.21 0.00 0.00 0.00 175.76 178.10 1of3 s ASN 115 N -0.38 7.29 0.39 0.00 3.84 -1.26 -0.70 114.94 124.13 1of3 s ASN 115 Ca -0.05 1.74 0.13 0.00 0.21 0.00 0.00 52.86 54.89 1of3 s ASN 115 Cb -0.03 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 38.90 1of3 s ASN 115 CO 0.03 -0.32 1.87 -0.37 -2.79 0.00 0.00 177.10 175.52 1of3 h VAL 116 N 4.75 1.22 0.00 -5.21 -1.51 -1.29 -2.76 116.25 111.45 1of3 h VAL 116 Ca -0.41 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 1of3 h VAL 116 Cb 1.22 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1of3 h VAL 116 CO 0.77 0.31 0.00 -0.33 -1.23 0.00 0.00 177.57 177.09 1of3 h GLU 117 N 0.00 0.00 -0.41 5.19 5.08 -1.82 -2.80 114.58 119.82 1of3 h GLU 117 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1of3 h GLU 117 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1of3 h GLU 117 CO 0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 1of3 n SER 118 N -2.60 3.13 -4.79 1.42 3.41 -1.05 -5.02 113.62 108.11 1of3 n SER 118 Ca 0.03 -1.94 -0.35 0.00 -0.26 0.00 0.00 58.87 56.35 1of3 n SER 118 Cb 0.36 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1of3 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1of3 s ALA 119 N -1.04 3.01 0.30 7.33 0.00 -1.06 -4.97 121.76 125.32 1of3 s ALA 119 Ca 0.30 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 1of3 s ALA 119 Cb 0.16 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.90 1of3 s ALA 119 CO 0.21 -0.16 0.99 -1.91 0.00 0.00 0.00 175.76 174.89 1of3 n GLU 120 N -0.46 1.32 -3.84 0.00 2.13 -1.25 -4.72 120.64 113.81 1of3 n GLU 120 Ca 0.07 0.46 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 1of3 n GLU 120 Cb 0.51 -1.84 -0.07 0.00 0.27 0.00 0.00 31.44 30.32 1of3 n GLU 120 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1of3 s ILE 121 N -1.08 5.40 0.07 6.31 1.01 -1.26 -0.78 121.20 130.88 1of3 s ILE 121 Ca 0.59 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.45 1of3 s ILE 121 Cb -0.69 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1of3 s ILE 121 CO 0.60 0.54 -0.11 -0.51 0.00 0.00 0.00 174.94 175.47 1of3 s ILE 122 N -0.44 0.87 -0.09 2.92 2.07 -0.35 -4.95 121.20 121.23 1of3 s ILE 122 Ca 0.12 -1.38 0.03 0.00 -1.41 0.00 0.00 60.65 58.01 1of3 s ILE 122 Cb -0.12 -1.06 -0.01 0.00 0.13 0.00 0.00 42.46 41.41 1of3 s ILE 122 CO 0.01 -0.41 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.54 1of3 s THR 123 N -1.79 2.44 -0.05 4.00 2.01 -1.26 -0.48 115.64 120.51 1of3 s THR 123 Ca -0.01 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1of3 s THR 123 Cb -0.07 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1of3 s THR 123 CO 0.01 0.56 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 1of3 s PHE 124 N 0.07 1.49 -1.68 4.92 0.08 -0.22 -4.87 117.98 117.78 1of3 s PHE 124 Ca -0.09 -0.50 -0.16 0.00 0.12 0.00 0.00 56.93 56.31 1of3 s PHE 124 Cb -0.15 -1.06 0.14 0.00 -0.57 0.00 0.00 43.02 41.38 1of3 s PHE 124 CO 0.06 -0.22 0.66 0.41 -0.10 0.00 0.00 175.22 176.02 1of3 n GLY 125 N 3.54 -0.39 2.11 4.36 0.00 -1.26 -0.84 105.19 112.71 1of3 n GLY 125 Ca -0.21 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 1of3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1of3 n GLY 126 N -1.51 0.52 3.21 -0.02 0.00 -1.26 -5.04 105.19 101.09 1of3 n GLY 126 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1of3 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of3 s LYS 127 N -1.28 1.23 0.01 1.61 1.02 -0.02 -5.14 119.74 117.16 1of3 s LYS 127 Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.00 1of3 s LYS 127 Cb 0.00 -1.30 -0.06 0.00 -0.52 0.00 0.00 37.83 35.95 1of3 s LYS 127 CO 0.00 0.33 0.41 -1.21 -0.92 0.00 0.00 175.35 173.96 1of3 s GLU 128 N -1.10 3.89 0.03 1.68 2.02 -1.26 -1.05 118.70 122.90 1of3 s GLU 128 Ca 0.05 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.47 1of3 s GLU 128 Cb -0.08 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 1of3 s GLU 128 CO 0.01 0.68 -0.13 0.71 0.02 0.00 0.00 175.26 176.55 1of3 s TYR 129 N -1.12 1.15 0.05 1.61 1.51 0.37 -0.74 117.35 120.19 1of3 s TYR 129 Ca 0.25 -0.32 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1of3 s TYR 129 Cb -0.16 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.94 1of3 s TYR 129 CO 0.14 0.02 0.88 1.03 -1.11 0.00 0.00 175.55 176.50 1of3 s ARG 130 N -0.96 4.58 -0.13 -0.62 1.81 0.84 -1.21 118.95 123.26 1of3 s ARG 130 Ca 0.02 1.26 -0.03 0.00 -1.72 0.00 0.00 55.73 55.26 1of3 s ARG 130 Cb -0.07 -3.40 -0.03 0.00 -0.45 0.00 0.00 34.95 31.00 1of3 s ARG 130 CO 0.01 0.17 -0.02 0.50 -0.68 0.00 0.00 175.30 175.28 1of3 s ARG 131 N 0.25 3.38 -0.23 3.54 3.52 0.04 -0.79 118.95 128.67 1of3 s ARG 131 Ca 0.44 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.57 1of3 s ARG 131 Cb -0.21 -2.88 0.06 0.00 -1.56 0.00 0.00 34.95 30.36 1of3 s ARG 131 CO 0.26 0.45 -0.01 -0.06 -0.81 0.00 0.00 175.30 175.13 1of3 s PHE 132 N -0.18 1.86 -0.13 5.12 0.40 0.37 -3.91 117.98 121.50 1of3 s PHE 132 Ca 0.04 -1.44 -0.15 0.00 -0.60 0.00 0.00 56.93 54.79 1of3 s PHE 132 Cb -0.13 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 1of3 s PHE 132 CO 0.02 -0.72 0.34 -1.58 0.70 0.00 0.00 175.22 173.98 1of3 s HIS 133 N 1.58 3.50 -0.07 0.36 2.46 -1.26 -0.71 115.29 121.14 1of3 s HIS 133 Ca -0.03 0.70 0.04 0.00 0.47 0.00 0.00 55.06 56.25 1of3 s HIS 133 Cb -0.18 -2.37 -0.01 0.00 -0.13 0.00 0.00 32.58 29.88 1of3 s HIS 133 CO -0.08 0.28 -0.21 0.08 -2.47 0.00 0.00 174.74 172.34 1of3 s VAL 134 N 0.30 2.40 -0.05 0.89 1.01 0.32 -4.99 120.40 120.28 1of3 s VAL 134 Ca 0.19 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1of3 s VAL 134 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1of3 s VAL 134 CO 0.06 0.56 -0.05 -0.60 0.00 0.00 0.00 175.10 175.08 1of3 s ARG 135 N -0.10 0.92 -0.06 2.72 3.52 -1.26 -1.92 118.95 122.76 1of3 s ARG 135 Ca -0.04 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 1of3 s ARG 135 Cb -0.14 -0.94 0.02 0.00 -1.56 0.00 0.00 34.95 32.32 1of3 s ARG 135 CO 0.04 -0.11 -0.09 0.42 -0.81 0.00 0.00 175.30 174.75 1of3 s ILE 136 N 1.06 0.91 -0.12 4.11 1.01 0.46 -4.89 121.20 123.75 1of3 s ILE 136 Ca -0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1of3 s ILE 136 Cb -0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1of3 s ILE 136 CO -0.01 0.31 0.10 -1.61 0.00 0.00 0.00 174.94 173.73 1of3 s GLU 137 N 0.72 3.39 0.19 2.79 2.02 -1.26 -0.57 118.70 125.99 1of3 s GLU 137 Ca -0.13 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1of3 s GLU 137 Cb -0.15 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1of3 s GLU 137 CO 0.02 0.71 0.43 -0.59 0.02 0.00 0.00 175.26 175.86 1of3 s PHE 138 N -0.85 0.15 0.29 1.61 -0.71 0.16 -4.69 117.98 113.94 1of3 s PHE 138 Ca 0.14 -0.50 -0.26 0.00 -1.04 0.00 0.00 56.93 55.26 1of3 s PHE 138 Cb -0.12 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.80 1of3 s PHE 138 CO 0.03 -0.86 0.91 -0.51 -1.34 0.00 0.00 175.22 173.45 1of3 s ASP 139 N -2.93 7.36 -0.27 1.98 1.01 -1.26 -4.41 116.67 118.14 1of3 s ASP 139 Ca 0.14 1.80 -0.42 0.00 0.71 0.00 0.00 52.55 54.78 1of3 s ASP 139 Cb 0.01 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.19 1of3 s ASP 139 CO 0.00 -0.01 1.56 0.54 0.21 0.00 0.00 175.17 177.47 1of3 n ARG 140 N 0.76 0.61 -3.95 8.23 1.74 -1.25 -4.87 116.66 117.93 1of3 n ARG 140 Ca 0.01 0.22 -0.28 0.00 -0.77 0.00 0.00 57.85 57.03 1of3 n ARG 140 Cb 0.50 -1.81 -0.17 0.00 -1.02 0.00 0.00 32.46 29.95 1of3 n ARG 140 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1of3 s THR 141 N 2.53 1.24 0.29 0.55 2.01 -1.21 -5.07 115.64 115.98 1of3 s THR 141 Ca 0.98 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 1of3 s THR 141 Cb -1.23 -1.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.94 1of3 s THR 141 CO 0.68 0.37 1.45 0.00 -0.69 0.00 0.00 174.62 176.43 1of3 s ALA 142 N 1.62 3.61 0.00 7.40 0.00 -1.26 -3.44 121.76 129.69 1of3 s ALA 142 Ca 0.04 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1of3 s ALA 142 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1of3 s ALA 142 CO -0.09 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1of3 n GLY 143 N 1.62 1.81 3.75 0.00 0.00 -1.26 -5.02 105.19 106.10 1of3 n GLY 143 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1of3 n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of3 s VAL 144 N -2.50 3.34 0.00 1.61 -7.23 -1.22 -4.21 120.40 110.18 1of3 s VAL 144 Ca 0.00 1.25 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 1of3 s VAL 144 Cb 0.00 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1of3 s VAL 144 CO 0.00 0.26 0.03 0.29 -0.31 0.00 0.00 175.10 175.37 1of3 n LYS 145 N 1.62 2.58 -3.82 4.82 4.76 0.11 -3.82 118.16 124.41 1of3 n LYS 145 Ca 0.01 -0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 1of3 n LYS 145 Cb 0.44 -0.29 -0.09 0.00 -1.84 0.00 0.00 35.03 33.26 1of3 n LYS 145 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1of3 s GLU 146 N -0.38 0.66 -0.12 1.97 -1.05 -0.17 -1.27 118.70 118.34 1of3 s GLU 146 Ca 0.00 -0.48 0.01 0.00 -0.15 0.00 0.00 54.97 54.36 1of3 s GLU 146 Cb 0.00 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1of3 s GLU 146 CO 0.00 -0.19 -0.16 -1.17 0.95 0.00 0.00 175.26 174.69 1of3 s LEU 147 N -1.78 2.55 -0.09 1.83 2.96 -0.32 -1.64 118.68 122.18 1of3 s LEU 147 Ca -0.09 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1of3 s LEU 147 Cb -0.03 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1of3 s LEU 147 CO -0.01 0.18 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.17 1of3 s HIS 148 N 0.27 3.06 -0.21 5.38 3.76 0.35 -1.79 115.29 126.11 1of3 s HIS 148 Ca -0.11 0.06 -0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1of3 s HIS 148 Cb -0.16 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 1of3 s HIS 148 CO 0.06 0.35 -0.01 0.42 -0.85 0.00 0.00 174.74 174.71 1of3 s ILE 149 N -0.67 3.72 -0.26 0.60 1.01 0.16 -0.46 121.20 125.30 1of3 s ILE 149 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 1of3 s ILE 149 Cb -0.12 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1of3 s ILE 149 CO 0.02 0.42 0.14 -0.83 0.00 0.00 0.00 174.94 174.68 1of3 s GLY 150 N 1.26 1.87 -0.33 6.18 0.00 -0.43 -2.02 107.32 113.86 1of3 s GLY 150 Ca 0.03 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1of3 s GLY 150 CO 0.00 0.55 0.20 0.14 0.00 0.00 0.00 173.10 173.99 1of3 s VAL 151 N 1.57 4.91 -0.16 1.40 1.01 -0.43 -1.49 120.40 127.21 1of3 s VAL 151 Ca 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1of3 s VAL 151 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1of3 s VAL 151 CO 0.07 0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.33 1of3 s VAL 152 N 1.66 1.73 0.18 2.92 1.01 -1.26 -1.81 120.40 124.84 1of3 s VAL 152 Ca 0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1of3 s VAL 152 Cb -0.17 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 1of3 s VAL 152 CO 0.08 0.49 0.62 -0.83 0.00 0.00 0.00 175.10 175.46 1of3 s GLY 153 N 1.39 2.51 -0.33 4.51 0.00 0.61 -0.18 107.32 115.83 1of3 s GLY 153 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1of3 s GLY 153 CO -0.11 0.29 0.09 -0.35 0.00 0.00 0.00 173.10 173.02 1of3 s ASP 154 N -1.72 4.30 -1.51 1.64 -1.08 0.62 -0.75 116.67 118.17 1of3 s ASP 154 Ca 0.40 -1.89 -0.11 0.00 -0.52 0.00 0.00 52.55 50.44 1of3 s ASP 154 Cb -0.15 -1.17 0.07 0.00 -1.46 0.00 0.00 42.92 40.21 1of3 s ASP 154 CO 0.20 -0.39 0.86 1.41 0.52 0.00 0.00 175.17 177.76 1of3 n HIS 155 N 4.55 -2.10 -3.82 -5.34 8.25 -0.19 -1.67 115.22 114.90 1of3 n HIS 155 Ca 0.01 0.87 -0.35 0.00 -0.26 0.00 0.00 57.72 57.98 1of3 n HIS 155 Cb 0.42 -3.89 -0.12 0.00 1.12 0.00 0.00 29.99 27.51 1of3 n HIS 155 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1of3 s LEU 156 N -7.15 5.11 -0.21 2.41 2.96 -1.26 -4.24 118.68 116.30 1of3 s LEU 156 Ca 0.50 -2.00 -0.27 0.00 -0.22 0.00 0.00 54.13 52.14 1of3 s LEU 156 Cb -0.25 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 1of3 s LEU 156 CO 0.85 -0.51 0.94 -0.60 -1.32 0.00 0.00 176.35 175.71 1of3 s ARG 157 N 1.12 4.26 -0.29 1.98 3.52 -1.26 -3.67 118.95 124.60 1of3 s ARG 157 Ca 0.08 1.18 -0.13 0.00 -0.13 0.00 0.00 55.73 56.73 1of3 s ARG 157 Cb -0.22 -3.62 0.12 0.00 -1.56 0.00 0.00 34.95 29.66 1of3 s ARG 157 CO -0.05 -0.52 0.72 -0.47 -0.81 0.00 0.00 175.30 174.17 1of3 s TYR 158 N 2.83 -1.14 -0.23 5.12 5.04 -0.36 -4.78 117.35 123.83 1of3 s TYR 158 Ca 0.41 2.08 0.01 0.00 -2.44 0.00 0.00 57.07 57.13 1of3 s TYR 158 Cb -0.16 0.68 0.06 0.00 0.35 0.00 0.00 41.96 42.89 1of3 s TYR 158 CO 0.08 -0.56 -0.09 0.34 -1.34 0.00 0.00 175.55 173.98 1of3 s ASP 159 N 2.33 3.91 0.00 4.32 -1.08 -1.26 -0.62 116.67 124.27 1of3 s ASP 159 Ca -0.07 -1.17 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 1of3 s ASP 159 Cb -0.09 -1.31 0.00 0.00 -1.46 0.00 0.00 42.92 40.06 1of3 s ASP 159 CO -0.19 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 175.92 1of3 n GLY 160 N 4.60 -1.32 3.78 2.66 0.00 -0.76 -5.03 105.19 109.11 1of3 n GLY 160 Ca -0.13 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1of3 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1of3 s PRO 161 N -2.00 4.50 0.08 1.61 0.04 -1.26 -1.56 135.00 136.41 1of3 s PRO 161 Ca 0.00 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1of3 s PRO 161 Cb 0.00 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1of3 s PRO 161 CO 0.00 0.19 -0.19 0.42 0.04 0.00 0.00 177.00 177.46 1of3 s ILE 162 N -1.60 1.54 0.03 0.56 1.01 0.61 -4.42 121.20 118.94 1of3 s ILE 162 Ca 0.51 -1.37 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1of3 s ILE 162 Cb -0.20 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1of3 s ILE 162 CO 0.26 -0.02 -0.22 -0.36 0.00 0.00 0.00 174.94 174.59 1of3 s PHE 163 N -1.07 2.45 -0.04 3.97 0.08 0.41 -0.51 117.98 123.28 1of3 s PHE 163 Ca 0.05 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.84 1of3 s PHE 163 Cb -0.09 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1of3 s PHE 163 CO 0.03 0.17 -0.25 0.42 -0.10 0.00 0.00 175.22 175.49 1of3 s ILE 164 N -0.83 2.02 0.16 0.64 1.01 -0.05 -0.86 121.20 123.29 1of3 s ILE 164 Ca 0.13 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1of3 s ILE 164 Cb -0.10 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1of3 s ILE 164 CO 0.03 0.57 0.30 -0.62 0.00 0.00 0.00 174.94 175.22 1of3 s ASP 165 N -0.38 0.01 -1.25 3.58 -1.08 -0.25 -1.24 116.67 116.07 1of3 s ASP 165 Ca 0.03 -0.82 -0.05 0.00 -0.52 0.00 0.00 52.55 51.19 1of3 s ASP 165 Cb -0.12 0.44 -0.01 0.00 -1.46 0.00 0.00 42.92 41.78 1of3 s ASP 165 CO 0.01 -0.90 0.73 0.59 0.52 0.00 0.00 175.17 176.12 1of3 n ASN 166 N -0.22 -2.58 -4.64 -0.34 3.02 -1.15 -0.81 115.26 108.53 1of3 n ASN 166 Ca -0.08 -0.86 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 1of3 n ASN 166 Cb 0.63 -4.01 -0.02 0.00 -0.61 0.00 0.00 39.78 35.77 1of3 n ASN 166 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1of3 s VAL 167 N -3.61 4.50 -0.03 2.41 1.01 -0.53 -3.91 120.40 120.24 1of3 s VAL 167 Ca 0.15 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1of3 s VAL 167 Cb -0.04 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1of3 s VAL 167 CO 0.82 -0.44 -0.12 -0.13 0.00 0.00 0.00 175.10 175.22 1of3 s ARG 168 N 3.63 1.24 -0.05 2.72 0.52 0.54 -0.47 118.95 127.07 1of3 s ARG 168 Ca 0.46 -0.42 0.05 0.00 -0.52 0.00 0.00 55.73 55.30 1of3 s ARG 168 Cb -0.13 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.21 1of3 s ARG 168 CO 0.15 0.18 -0.21 -0.51 0.02 0.00 0.00 175.30 174.92 1of3 s LEU 169 N 0.08 2.00 0.06 2.53 1.43 -0.17 -0.98 118.68 123.63 1of3 s LEU 169 Ca -0.02 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1of3 s LEU 169 Cb -0.09 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1of3 s LEU 169 CO 0.01 0.21 -0.19 -0.31 0.23 0.00 0.00 176.35 176.30 1of3 s TYR 170 N -0.12 1.62 0.04 0.29 1.51 -0.50 0.01 117.35 120.20 1of3 s TYR 170 Ca -0.02 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 1of3 s TYR 170 Cb -0.12 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1of3 s TYR 170 CO 0.02 0.10 -0.25 -1.59 -1.11 0.00 0.00 175.55 172.73 1of3 s LYS 171 N -1.37 1.89 0.38 -0.62 -2.85 -0.39 -1.12 119.74 115.66 1of3 s LYS 171 Ca 0.05 -1.07 -0.28 0.00 -1.00 0.00 0.00 55.97 53.68 1of3 s LYS 171 Cb -0.09 -2.03 -0.11 0.00 -2.06 0.00 0.00 37.83 33.55 1of3 s LYS 171 CO 0.02 0.52 1.49 0.50 0.10 0.00 0.00 175.35 177.99 1of3 s ARG 172 N -1.20 4.06 0.00 1.78 6.06 -1.26 -0.79 118.95 127.59 1of3 s ARG 172 Ca 0.12 2.58 0.31 0.00 -2.50 0.00 0.00 55.73 56.24 1of3 s ARG 172 Cb -0.10 -2.94 1.69 0.00 0.06 0.00 0.00 34.95 33.66 1of3 s ARG 172 CO 0.02 -0.57 2.10 0.25 -2.50 0.00 0.00 175.30 174.60