#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys n VAL 2 N 0.00 0.00 -3.01 2.03 0.31 -1.26 -4.46 118.33 111.94 3cys n VAL 2 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3cys n VAL 2 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3cys n VAL 2 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3cys n ASN 3 N 1.65 -7.16 -4.79 4.52 3.02 -1.26 -4.91 115.26 106.34 3cys n ASN 3 Ca 0.00 0.76 -0.36 0.00 -0.03 0.00 0.00 54.58 54.95 3cys n ASN 3 Cb 0.00 -3.39 -0.04 0.00 -0.61 0.00 0.00 39.78 35.75 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3cys s PRO 4 N -1.55 4.04 0.01 3.52 0.04 -1.24 -4.79 135.00 135.04 3cys s PRO 4 Ca 0.06 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.63 3cys s PRO 4 Cb -0.01 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3cys s PRO 4 CO 0.47 -0.24 -0.17 0.99 0.04 0.00 0.00 177.00 178.08 3cys s THR 5 N -1.76 2.82 0.27 1.26 2.01 -1.26 -1.09 115.64 117.89 3cys s THR 5 Ca 0.61 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.57 3cys s THR 5 Cb -0.20 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3cys s THR 5 CO 0.25 0.42 0.13 0.68 -0.69 0.00 0.00 174.62 175.41 3cys s VAL 6 N -0.86 0.36 -0.02 3.82 -7.23 -0.36 -0.49 120.40 115.62 3cys s VAL 6 Ca 0.14 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.12 3cys s VAL 6 Cb -0.10 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3cys s VAL 6 CO 0.04 0.00 0.40 0.72 -0.31 0.00 0.00 175.10 175.95 3cys s PHE 7 N -3.75 -0.30 -0.07 2.82 -0.12 -0.60 -0.14 117.98 115.82 3cys s PHE 7 Ca 0.37 0.47 -0.00 0.00 -0.05 0.00 0.00 56.93 57.72 3cys s PHE 7 Cb 0.06 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 3cys s PHE 7 CO 0.15 -0.45 -0.04 -0.06 -0.05 0.00 0.00 175.22 174.78 3cys s PHE 8 N -1.33 0.93 -0.13 3.49 0.40 -1.26 -2.21 117.98 117.87 3cys s PHE 8 Ca -0.13 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.57 3cys s PHE 8 Cb -0.04 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 3cys s PHE 8 CO 0.05 -0.34 1.02 0.34 0.70 0.00 0.00 175.22 177.00 3cys s ASP 9 N 1.57 7.21 -0.16 1.36 -1.08 0.16 -3.41 116.67 122.31 3cys s ASP 9 Ca -0.00 1.51 -0.08 0.00 -0.52 0.00 0.00 52.55 53.46 3cys s ASP 9 Cb -0.13 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 3cys s ASP 9 CO -0.04 -0.50 0.10 -0.63 0.52 0.00 0.00 175.17 174.62 3cys s ILE 10 N 2.28 5.18 -0.12 4.11 -1.09 -1.05 -2.34 121.20 128.16 3cys s ILE 10 Ca 0.48 0.10 0.01 0.00 -2.23 0.00 0.00 60.65 59.01 3cys s ILE 10 Cb -0.18 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3cys s ILE 10 CO 0.15 0.51 -0.14 0.00 -1.23 0.00 0.00 174.94 174.23 3cys s ALA 11 N -0.11 1.73 -0.50 9.38 0.00 -1.02 -0.89 121.76 130.34 3cys s ALA 11 Ca 0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 3cys s ALA 11 Cb -0.12 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.21 3cys s ALA 11 CO 0.01 -0.20 0.41 0.08 0.00 0.00 0.00 175.76 176.05 3cys s VAL 12 N 1.21 4.57 -0.37 0.00 1.01 0.12 -2.01 120.40 124.92 3cys s VAL 12 Ca -0.02 -1.72 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 3cys s VAL 12 Cb -0.14 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.29 3cys s VAL 12 CO -0.05 -0.82 0.49 0.47 0.00 0.00 0.00 175.10 175.20 3cys n ASP 13 N 4.99 -6.79 -4.16 3.32 9.92 -0.32 -2.90 116.55 120.62 3cys n ASP 13 Ca -0.09 0.33 -0.32 0.00 -0.53 0.00 0.00 54.79 54.18 3cys n ASP 13 Cb 0.41 -3.38 -0.04 0.00 -0.64 0.00 0.00 41.12 37.47 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cys n GLY 14 N 0.05 -0.32 2.99 0.44 0.00 -1.26 -4.92 105.19 102.17 3cys n GLY 14 Ca 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3cys n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cys s GLU 15 N -6.88 0.45 -0.32 1.61 2.12 -1.14 -5.12 118.70 109.42 3cys s GLU 15 Ca 0.39 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 3cys s GLU 15 Cb -0.22 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.06 3cys s GLU 15 CO 0.93 -0.85 1.36 -1.25 -0.54 0.00 0.00 175.26 174.91 3cys s PRO 16 N 2.65 3.81 0.07 4.30 0.04 -1.26 0.14 135.00 144.75 3cys s PRO 16 Ca 0.13 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 3cys s PRO 16 Cb -0.13 -3.93 -0.11 0.00 0.04 0.00 0.00 34.50 30.36 3cys s PRO 16 CO -0.24 -1.25 1.38 -0.07 0.04 0.00 0.00 177.00 176.86 3cys h LEU 17 N 11.30 0.61 0.00 -3.56 -0.00 -1.39 -3.49 115.31 118.77 3cys h LEU 17 Ca -0.27 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 3cys h LEU 17 Cb 1.11 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 3cys h LEU 17 CO 1.04 0.97 0.00 0.61 -0.00 0.00 0.00 178.44 181.06 3cys n GLY 18 N 0.21 -0.41 3.70 0.83 0.00 -1.24 -4.96 105.19 103.31 3cys n GLY 18 Ca -0.05 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3cys n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cys s ARG 19 N -1.61 4.25 -0.11 1.61 3.00 -1.26 -2.54 118.95 122.29 3cys s ARG 19 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 55.73 55.85 3cys s ARG 19 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 34.95 31.34 3cys s ARG 19 CO 0.00 0.09 0.43 0.28 0.00 0.00 0.00 175.30 176.10 3cys h VAL 20 N 4.85 0.88 -1.19 3.52 2.07 -1.82 -3.43 116.25 121.12 3cys h VAL 20 Ca -0.39 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3cys h VAL 20 Cb 1.17 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3cys h VAL 20 CO 0.74 0.29 -0.13 -1.20 0.02 0.00 0.00 177.57 177.29 3cys n SER 21 N -4.72 -2.97 -4.35 0.57 7.64 -1.26 -2.80 113.62 105.73 3cys n SER 21 Ca -0.05 0.19 -0.18 0.00 1.01 0.00 0.00 58.87 59.83 3cys n SER 21 Cb 0.24 -1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 62.30 3cys n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cys s PHE 22 N -0.39 1.64 -0.06 1.43 0.40 0.81 -1.57 117.98 120.24 3cys s PHE 22 Ca 0.00 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 3cys s PHE 22 Cb 0.00 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.64 3cys s PHE 22 CO 0.00 0.15 -0.17 -1.83 0.70 0.00 0.00 175.22 174.07 3cys s GLU 23 N -3.76 1.96 -0.09 0.44 -1.05 -0.70 -1.23 118.70 114.27 3cys s GLU 23 Ca 0.25 -0.60 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 3cys s GLU 23 Cb 0.03 -1.63 -0.04 0.00 -0.44 0.00 0.00 34.13 32.06 3cys s GLU 23 CO 0.08 0.17 0.15 -0.51 0.95 0.00 0.00 175.26 176.10 3cys s LEU 24 N 0.26 4.36 -1.15 1.83 1.43 -0.25 -2.56 118.68 122.60 3cys s LEU 24 Ca -0.09 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 3cys s LEU 24 Cb -0.14 -2.22 0.25 0.00 0.03 0.00 0.00 46.19 44.11 3cys s LEU 24 CO 0.04 0.37 1.45 0.49 0.23 0.00 0.00 176.35 178.92 3cys n PHE 25 N 1.67 3.65 1.77 0.29 3.72 -1.12 -3.64 117.46 123.80 3cys n PHE 25 Ca -0.17 -3.12 0.13 0.00 -0.05 0.00 0.00 57.45 54.25 3cys n PHE 25 Cb 0.54 -1.65 0.68 0.00 -0.94 0.00 0.00 39.48 38.11 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cys n ALA 26 N 2.81 2.62 -0.98 4.37 0.00 -1.26 -3.16 120.51 124.91 3cys n ALA 26 Ca 0.30 -0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3cys n ALA 26 Cb 0.37 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.53 3cys n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cys n ASP 27 N -0.48 6.60 0.00 0.00 2.03 -1.26 -3.57 116.55 119.87 3cys n ASP 27 Ca 0.20 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.36 3cys n ASP 27 Cb 0.19 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 3cys n ASP 27 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3cys n LYS 28 N 0.26 0.00 -3.43 -0.67 2.85 -1.25 -4.93 118.16 111.00 3cys n LYS 28 Ca 0.35 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.34 3cys n LYS 28 Cb 0.58 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.88 3cys n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3cys n VAL 29 N 0.00 1.22 0.61 0.58 0.24 -1.19 -4.89 118.33 114.90 3cys n VAL 29 Ca 0.00 -4.74 0.12 0.00 -2.04 0.00 0.00 64.34 57.68 3cys n VAL 29 Cb 0.00 -2.04 0.46 0.00 -1.47 0.00 0.00 33.84 30.78 3cys n VAL 29 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3cys n PRO 30 N 1.28 0.14 -0.02 7.34 -0.04 -1.23 -2.00 135.00 140.46 3cys n PRO 30 Ca 0.26 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 3cys n PRO 30 Cb 0.44 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 3cys n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3cys h LYS 31 N 0.00 -0.06 -0.04 0.54 1.57 -1.91 -3.10 116.57 113.58 3cys h LYS 31 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3cys h LYS 31 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3cys h LYS 31 CO 0.00 0.09 -0.64 1.15 -0.57 0.00 0.00 179.45 179.48 3cys h THR 32 N -1.01 1.42 -0.57 -0.16 2.02 -1.93 -2.44 112.91 110.24 3cys h THR 32 Ca -0.01 -2.12 -0.03 0.00 0.77 0.00 0.00 66.41 65.03 3cys h THR 32 Cb 0.18 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3cys h THR 32 CO 0.01 0.62 0.24 0.00 0.37 0.00 0.00 175.52 176.76 3cys h ALA 33 N 1.23 1.36 -0.11 6.16 0.00 -1.56 -1.22 119.26 125.12 3cys h ALA 33 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3cys h ALA 33 Cb 1.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3cys h ALA 33 CO 0.09 0.49 -0.40 1.49 0.00 0.00 0.00 179.25 180.92 3cys h GLU 34 N 0.81 0.24 -2.31 0.00 4.57 -1.37 -1.50 114.58 115.02 3cys h GLU 34 Ca 0.20 -0.11 -0.25 0.00 -1.18 0.00 0.00 59.36 58.02 3cys h GLU 34 Cb 0.13 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3cys h GLU 34 CO -0.02 0.61 0.46 0.09 -1.18 0.00 0.00 179.01 178.96 3cys n ASN 35 N -4.03 5.21 0.02 1.04 3.02 -0.46 -2.80 115.26 117.26 3cys n ASN 35 Ca -0.01 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 3cys n ASN 35 Cb 0.47 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 3cys n ASN 35 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3cys n PHE 36 N 2.79 -1.42 -0.31 3.10 -0.00 -1.10 -4.92 117.46 115.60 3cys n PHE 36 Ca 0.44 0.14 -0.03 0.00 -0.00 0.00 0.00 57.45 57.99 3cys n PHE 36 Cb 0.69 0.55 0.11 0.00 -0.00 0.00 0.00 39.48 40.83 3cys n PHE 36 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3cys h ARG 37 N 0.00 1.20 -0.46 -4.13 1.12 -1.32 0.14 114.38 110.93 3cys h ARG 37 Ca 0.00 -0.14 -0.06 0.00 -1.11 0.00 0.00 59.98 58.67 3cys h ARG 37 Cb 0.00 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 29.71 3cys h ARG 37 CO 0.00 0.88 0.04 0.00 -3.11 0.00 0.00 179.97 177.78 3cys h ALA 38 N 1.30 1.20 -0.01 2.80 0.00 -1.78 0.37 119.26 123.15 3cys h ALA 38 Ca 0.30 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3cys h ALA 38 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3cys h ALA 38 CO -0.05 0.53 -0.84 -0.07 0.00 0.00 0.00 179.25 178.83 3cys h LEU 39 N 0.70 0.29 -0.61 0.00 3.38 -1.66 0.63 115.31 118.05 3cys h LEU 39 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3cys h LEU 39 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3cys h LEU 39 CO 0.01 1.00 -0.35 0.28 0.09 0.00 0.00 178.44 179.47 3cys h SER 40 N 0.14 0.00 0.00 -0.43 0.02 0.06 -2.91 113.55 110.43 3cys h SER 40 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3cys h SER 40 Cb 1.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.99 3cys h SER 40 CO 0.13 0.35 -0.26 0.41 -1.14 0.00 0.00 176.83 176.32 3cys n THR 41 N -3.34 0.41 0.00 -2.27 -1.04 0.12 -2.72 114.28 105.44 3cys n THR 41 Ca 0.01 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 3cys n THR 41 Cb 0.56 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3cys n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cys n GLY 42 N 1.51 1.31 3.22 3.41 0.00 0.22 -4.87 105.19 109.98 3cys n GLY 42 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3cys n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 43 N -0.68 1.70 0.00 1.61 4.07 -1.26 -2.27 120.64 123.82 3cys n GLU 43 Ca 0.00 -2.13 0.00 0.00 -0.06 0.00 0.00 57.16 54.97 3cys n GLU 43 Cb 0.00 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.20 3cys n GLU 43 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3cys n LYS 44 N 7.33 0.00 0.00 5.31 4.81 -1.26 -4.98 118.16 129.37 3cys n LYS 44 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3cys n LYS 44 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cys n GLY 45 N -0.67 0.73 3.78 3.14 0.00 -0.96 -5.16 105.19 106.05 3cys n GLY 45 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3cys n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cys s PHE 46 N 0.00 -0.05 0.00 1.61 -0.12 -1.23 -5.08 117.98 113.11 3cys s PHE 46 Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 3cys s PHE 46 Cb 0.00 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 3cys s PHE 46 CO 0.00 -0.76 0.00 0.41 -0.05 0.00 0.00 175.22 174.82 3cys n GLY 47 N -0.56 6.55 1.31 1.99 0.00 -1.26 -4.15 105.19 109.07 3cys n GLY 47 Ca -0.05 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.28 3cys n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cys n TYR 48 N 0.00 0.94 -2.34 1.61 4.19 -1.10 -4.78 117.16 115.68 3cys n TYR 48 Ca 0.00 -0.47 -0.36 0.00 3.31 0.00 0.00 57.90 60.38 3cys n TYR 48 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 3cys n TYR 48 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 3cys s LYS 49 N -1.06 3.29 0.00 2.98 3.01 -1.26 -3.58 119.74 123.11 3cys s LYS 49 Ca 0.47 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.82 3cys s LYS 49 Cb 0.25 -5.40 0.00 0.00 -1.01 0.00 0.00 37.83 31.66 3cys s LYS 49 CO 0.32 -3.08 0.00 0.41 0.51 0.00 0.00 175.35 173.51 3cys n GLY 50 N 5.58 -0.02 3.65 -3.33 0.00 -1.26 -5.18 105.19 104.63 3cys n GLY 50 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 3cys n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cys s SER 51 N 0.00 -0.36 0.02 1.61 0.01 -1.24 -4.68 113.70 109.06 3cys s SER 51 Ca 0.00 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 3cys s SER 51 Cb 0.00 0.59 0.01 0.00 0.21 0.00 0.00 66.02 66.83 3cys s SER 51 CO 0.00 -1.04 0.23 0.00 0.41 0.00 0.00 173.24 172.84 3cys s PHE 53 N -2.09 1.89 -0.28 0.00 0.08 -1.26 -4.01 117.98 112.31 3cys s PHE 53 Ca -0.09 0.87 0.12 0.00 0.12 0.00 0.00 56.93 57.96 3cys s PHE 53 Cb -0.03 -3.33 0.36 0.00 -0.57 0.00 0.00 43.02 39.45 3cys s PHE 53 CO -0.01 -3.02 1.42 -2.39 -0.10 0.00 0.00 175.22 171.12 3cys n HIS 54 N -4.24 -1.41 -2.96 0.36 1.44 -1.26 -4.76 115.22 102.39 3cys n HIS 54 Ca 0.07 -1.57 0.03 0.00 -2.01 0.00 0.00 57.72 54.24 3cys n HIS 54 Cb 0.58 1.20 0.00 0.00 0.12 0.00 0.00 29.99 31.90 3cys n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3cys s ARG 55 N -0.29 0.26 -0.09 -1.40 6.06 -1.26 -4.76 118.95 117.47 3cys s ARG 55 Ca 0.10 0.01 -0.01 0.00 -2.50 0.00 0.00 55.73 53.33 3cys s ARG 55 Cb 0.37 0.06 0.03 0.00 0.06 0.00 0.00 34.95 35.46 3cys s ARG 55 CO -0.10 -0.41 -0.03 0.42 -2.50 0.00 0.00 175.30 172.68 3cys s ILE 56 N 2.31 0.65 -0.03 4.11 1.01 -0.43 -1.08 121.20 127.73 3cys s ILE 56 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3cys s ILE 56 Cb 0.00 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.74 3cys s ILE 56 CO -0.17 0.30 -0.02 -0.63 0.00 0.00 0.00 174.94 174.42 3cys s ILE 57 N 1.86 0.32 0.13 2.92 1.01 -0.66 -1.81 121.20 124.96 3cys s ILE 57 Ca 0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 3cys s ILE 57 Cb -0.12 -0.37 -0.07 0.00 0.01 0.00 0.00 42.46 41.91 3cys s ILE 57 CO -0.06 0.16 1.13 -2.16 0.00 0.00 0.00 174.94 174.01 3cys s PRO 58 N 0.74 4.53 -0.53 2.79 0.04 -1.25 -2.60 135.00 138.72 3cys s PRO 58 Ca -0.08 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 3cys s PRO 58 Cb -0.12 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3cys s PRO 58 CO -0.01 -0.06 0.33 0.41 0.04 0.00 0.00 177.00 177.71 3cys n GLY 59 N 2.48 0.33 2.03 0.56 0.00 -1.26 -4.84 105.19 104.48 3cys n GLY 59 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3cys n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cys n PHE 60 N -3.56 -2.41 -3.78 1.61 7.35 -1.21 -4.92 117.46 110.54 3cys n PHE 60 Ca -0.02 0.20 -0.01 0.00 -0.76 0.00 0.00 57.45 56.86 3cys n PHE 60 Cb 0.53 0.91 0.00 0.00 0.35 0.00 0.00 39.48 41.28 3cys n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cys s MET 61 N -1.13 0.94 -0.29 -4.13 0.23 -1.07 -1.56 119.30 112.28 3cys s MET 61 Ca 0.00 -0.55 -0.14 0.00 -1.03 0.00 0.00 55.69 53.96 3cys s MET 61 Cb 0.00 0.29 0.10 0.00 -1.53 0.00 0.00 34.83 33.69 3cys s MET 61 CO 0.00 -0.43 0.68 0.00 -2.03 0.00 0.00 175.02 173.23 3cys n GLN 63 N 4.67 0.00 0.00 0.00 7.27 -0.24 0.31 117.38 129.40 3cys n GLN 63 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 3cys n GLN 63 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 3cys n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cys n GLY 64 N -0.97 -0.59 1.70 1.69 0.00 0.68 -3.30 105.19 104.40 3cys n GLY 64 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cys n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cys n GLY 65 N 0.00 1.14 0.61 -0.02 0.00 -1.26 -4.41 105.19 101.25 3cys n GLY 65 Ca 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.24 3cys n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cys n ASP 66 N 2.34 -3.54 -3.84 1.61 2.03 -1.26 -4.26 116.55 109.64 3cys n ASP 66 Ca 0.00 0.49 -0.40 0.00 0.52 0.00 0.00 54.79 55.41 3cys n ASP 66 Cb 0.00 -2.00 -0.07 0.00 -0.72 0.00 0.00 41.12 38.33 3cys n ASP 66 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3cys n PHE 67 N -3.18 1.83 -2.78 -0.67 3.72 -1.26 -4.59 117.46 110.54 3cys n PHE 67 Ca -0.02 -1.56 -0.42 0.00 -0.05 0.00 0.00 57.45 55.40 3cys n PHE 67 Cb 0.28 -1.82 0.02 0.00 -0.94 0.00 0.00 39.48 37.02 3cys n PHE 67 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3cys n THR 68 N 6.56 5.83 -2.57 4.37 5.66 -1.26 -3.66 114.28 129.21 3cys n THR 68 Ca 0.48 -5.97 -0.23 0.00 -3.05 0.00 0.00 64.05 55.28 3cys n THR 68 Cb 0.42 -1.74 0.02 0.00 -1.55 0.00 0.00 70.33 67.48 3cys n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3cys n ARG 69 N 0.45 -1.14 -1.03 1.09 3.00 -1.26 -2.03 116.66 115.73 3cys n ARG 69 Ca 0.39 0.87 -0.41 0.00 -0.01 0.00 0.00 57.85 58.69 3cys n ARG 69 Cb 0.29 -1.21 -0.08 0.00 0.00 0.00 0.00 32.46 31.45 3cys n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3cys n HIS 70 N -0.02 1.27 0.00 -1.55 8.25 -1.26 -2.87 115.22 119.04 3cys n HIS 70 Ca -0.05 -1.26 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 3cys n HIS 70 Cb 0.43 -1.51 0.00 0.00 1.12 0.00 0.00 29.99 30.03 3cys n HIS 70 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3cys n ASN 71 N 9.17 0.00 0.00 0.41 3.02 -1.26 -5.06 115.26 121.54 3cys n ASN 71 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 3cys n ASN 71 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cys n GLY 72 N 0.00 -0.07 3.23 7.41 0.00 -1.14 -5.08 105.19 109.53 3cys n GLY 72 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3cys n GLY 72 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cys s THR 73 N 0.00 -0.36 0.00 2.61 -1.32 -1.22 -5.06 115.64 110.29 3cys s THR 73 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3cys s THR 73 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3cys s THR 73 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3cys n GLY 74 N 5.21 5.59 0.00 6.08 0.00 -0.86 -4.76 105.19 116.44 3cys n GLY 74 Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3cys n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cys n GLY 75 N 1.47 0.41 3.95 -0.02 0.00 -1.24 -4.69 105.19 105.07 3cys n GLY 75 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3cys n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cys s LYS 76 N 0.00 1.15 0.00 1.61 1.02 -1.24 -4.19 119.74 118.09 3cys s LYS 76 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 3cys s LYS 76 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3cys s LYS 76 CO 0.00 -1.98 0.00 0.45 -0.92 0.00 0.00 175.35 172.90 3cys n SER 77 N -3.39 0.38 0.04 2.83 2.88 0.10 -4.18 113.62 112.27 3cys n SER 77 Ca 0.14 -0.83 0.11 0.00 -1.33 0.00 0.00 58.87 56.96 3cys n SER 77 Cb 0.60 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 3cys n SER 77 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3cys n ILE 78 N 0.00 0.25 0.52 2.46 -5.35 -1.26 -3.98 119.36 111.99 3cys n ILE 78 Ca 0.00 -0.44 0.06 0.00 -0.27 0.00 0.00 62.75 62.10 3cys n ILE 78 Cb 0.00 -0.04 0.05 0.00 -1.74 0.00 0.00 39.64 37.91 3cys n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3cys n TYR 79 N -2.31 0.00 0.00 4.28 4.01 -1.26 -5.07 117.16 116.81 3cys n TYR 79 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3cys n TYR 79 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3cys n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cys n GLY 80 N 0.73 -0.58 0.10 2.72 0.00 -1.26 -4.94 105.19 101.96 3cys n GLY 80 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 3cys n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cys n GLU 81 N 0.00 0.69 -4.15 1.61 1.02 -1.26 0.02 120.64 118.56 3cys n GLU 81 Ca 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 3cys n GLU 81 Cb 0.00 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cys s LYS 82 N -2.49 1.27 0.17 3.49 1.02 -1.26 -3.81 119.74 118.14 3cys s LYS 82 Ca -0.10 -1.53 -0.24 0.00 0.02 0.00 0.00 55.97 54.11 3cys s LYS 82 Cb 0.06 0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.74 3cys s LYS 82 CO 0.83 -0.45 0.87 -0.59 -0.92 0.00 0.00 175.35 175.09 3cys s PHE 83 N -4.12 -0.19 0.93 3.18 -0.71 -1.18 -4.91 117.98 110.98 3cys s PHE 83 Ca 0.35 -0.14 -0.12 0.00 -1.04 0.00 0.00 56.93 55.98 3cys s PHE 83 Cb 0.05 0.64 0.15 0.00 -1.21 0.00 0.00 43.02 42.66 3cys s PHE 83 CO 0.11 -0.91 1.09 -1.21 -1.34 0.00 0.00 175.22 172.96 3cys s GLU 84 N -3.46 0.98 0.55 1.99 2.02 -1.26 -3.91 118.70 115.62 3cys s GLU 84 Ca 0.11 0.81 -0.00 0.00 0.02 0.00 0.00 54.97 55.91 3cys s GLU 84 Cb -0.03 -1.78 0.03 0.00 0.10 0.00 0.00 34.13 32.46 3cys s GLU 84 CO 0.02 -2.43 0.80 -0.51 0.02 0.00 0.00 175.26 173.15 3cys s ASP 85 N -3.33 5.34 -0.18 -0.19 1.01 -1.26 -4.90 116.67 113.15 3cys s ASP 85 Ca 0.64 0.15 -0.16 0.00 0.71 0.00 0.00 52.55 53.89 3cys s ASP 85 Cb -0.19 -1.08 -0.07 0.00 1.01 0.00 0.00 42.92 42.60 3cys s ASP 85 CO 0.58 -1.12 -0.30 -0.62 0.21 0.00 0.00 175.17 173.92 3cys n GLU 86 N -2.39 0.52 -3.09 8.23 -0.58 -1.26 -5.04 120.64 117.04 3cys n GLU 86 Ca 0.06 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3cys n GLU 86 Cb 0.59 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3cys n ASN 87 N -4.47 0.00 -2.47 1.62 0.23 -1.26 -5.03 115.26 103.88 3cys n ASN 87 Ca -0.18 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.67 3cys n ASN 87 Cb 0.52 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.23 3cys n ASN 87 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3cys n PHE 88 N 0.06 2.57 0.26 -2.53 3.72 -1.26 -4.78 117.46 115.50 3cys n PHE 88 Ca 0.00 -2.78 0.14 0.00 -0.05 0.00 0.00 57.45 54.76 3cys n PHE 88 Cb 0.00 -0.21 0.66 0.00 -0.94 0.00 0.00 39.48 38.99 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3cys h ILE 89 N 2.88 0.35 -2.29 4.37 2.04 -1.96 -3.44 117.51 119.46 3cys h ILE 89 Ca 0.18 -0.69 -0.46 0.00 1.00 0.00 0.00 64.86 64.89 3cys h ILE 89 Cb 1.13 1.52 0.07 0.00 -0.74 0.00 0.00 36.82 38.80 3cys h ILE 89 CO 0.69 0.11 0.07 -0.76 0.00 0.00 0.00 178.15 178.26 3cys s LEU 90 N -6.68 3.05 0.35 1.44 2.01 -1.26 -5.12 118.68 112.47 3cys s LEU 90 Ca -0.01 -0.24 0.03 0.00 0.01 0.00 0.00 54.13 53.93 3cys s LEU 90 Cb 0.11 -2.26 -0.01 0.00 0.01 0.00 0.00 46.19 44.03 3cys s LEU 90 CO 0.58 -1.64 0.39 -0.54 1.01 0.00 0.00 176.35 176.14 3cys s LYS 91 N -5.03 1.90 -0.85 1.70 1.02 -1.26 -4.95 119.74 112.27 3cys s LYS 91 Ca 0.63 -1.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 3cys s LYS 91 Cb -0.07 0.39 0.22 0.00 -0.52 0.00 0.00 37.83 37.85 3cys s LYS 91 CO 0.43 -0.75 0.79 -1.01 -0.92 0.00 0.00 175.35 173.88 3cys s HIS 92 N -3.13 3.80 -0.26 3.18 3.76 -1.26 -4.87 115.29 116.51 3cys s HIS 92 Ca 0.36 -2.07 0.28 0.00 -0.15 0.00 0.00 55.06 53.48 3cys s HIS 92 Cb 0.01 -3.81 0.89 0.00 1.11 0.00 0.00 32.58 30.78 3cys s HIS 92 CO 0.26 -0.98 1.79 1.79 -0.85 0.00 0.00 174.74 176.75 3cys h THR 93 N 4.70 0.00 0.00 1.30 1.35 -1.94 -3.42 112.91 114.90 3cys h THR 93 Ca 0.11 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3cys h THR 93 Cb 1.03 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3cys h THR 93 CO 0.77 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3cys n GLY 94 N 0.56 0.13 3.80 5.82 0.00 -1.26 -4.89 105.19 109.35 3cys n GLY 94 Ca 0.03 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 3cys n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 95 N -2.00 3.77 0.00 1.61 0.04 -1.25 -3.75 135.00 133.43 3cys s PRO 95 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3cys s PRO 95 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3cys s PRO 95 CO 0.00 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3cys n GLY 96 N -0.31 0.83 3.80 0.56 0.00 0.19 -4.88 105.19 105.38 3cys n GLY 96 Ca 0.09 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3cys n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cys s ILE 97 N -2.00 5.26 -0.37 -0.61 -1.09 -1.04 -0.59 121.20 120.76 3cys s ILE 97 Ca 0.00 0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 58.85 3cys s ILE 97 Cb 0.00 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 3cys s ILE 97 CO 0.00 0.51 0.26 -0.22 -1.23 0.00 0.00 174.94 174.26 3cys s LEU 98 N -0.43 4.79 0.18 2.97 0.20 -0.58 -0.12 118.68 125.68 3cys s LEU 98 Ca 0.19 -0.71 0.10 0.00 0.69 0.00 0.00 54.13 54.40 3cys s LEU 98 Cb -0.14 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 3cys s LEU 98 CO 0.07 -0.35 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.12 3cys s SER 99 N 1.68 3.17 -0.12 3.68 0.01 -1.26 -3.67 113.70 117.19 3cys s SER 99 Ca 0.05 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.44 3cys s SER 99 Cb -0.18 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 3cys s SER 99 CO 0.10 0.07 -0.08 -0.04 0.41 0.00 0.00 173.24 173.70 3cys s MET 100 N -2.67 3.25 0.64 12.44 -1.94 0.78 -1.23 119.30 130.57 3cys s MET 100 Ca 0.19 -0.58 -0.11 0.00 -1.71 0.00 0.00 55.69 53.47 3cys s MET 100 Cb -0.07 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 3cys s MET 100 CO 0.09 0.38 1.04 0.00 -0.01 0.00 0.00 175.02 176.52 3cys s ALA 101 N -0.06 2.99 -0.28 3.03 0.00 -0.86 -3.20 121.76 123.38 3cys s ALA 101 Ca -0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 3cys s ALA 101 Cb -0.13 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.00 3cys s ALA 101 CO 0.03 -0.83 0.92 0.54 0.00 0.00 0.00 175.76 176.42 3cys s ASN 102 N -4.09 -0.59 -1.02 0.00 2.20 -1.26 -4.35 114.94 105.84 3cys s ASN 102 Ca 0.56 1.00 -0.04 0.00 -0.94 0.00 0.00 52.86 53.44 3cys s ASN 102 Cb -0.12 1.17 0.18 0.00 -2.00 0.00 0.00 41.25 40.49 3cys s ASN 102 CO 0.54 -0.16 2.29 0.00 -2.94 0.00 0.00 177.10 176.83 3cys n ALA 103 N 3.40 6.53 0.00 3.54 0.00 -1.26 -4.94 120.51 127.77 3cys n ALA 103 Ca -0.17 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.27 3cys n ALA 103 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3cys n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cys n GLY 104 N 0.87 0.80 3.76 0.00 0.00 -1.26 -4.85 105.19 104.51 3cys n GLY 104 Ca 0.55 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 3cys n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 105 N -1.05 4.52 -1.33 1.61 0.04 -1.26 -3.36 135.00 134.17 3cys s PRO 105 Ca 0.00 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 3cys s PRO 105 Cb 0.00 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 31.57 3cys s PRO 105 CO 0.00 0.13 0.40 0.09 0.04 0.00 0.00 177.00 177.66 3cys n ASN 106 N 0.84 -4.48 0.00 6.66 3.02 -1.26 -4.77 115.26 115.27 3cys n ASN 106 Ca 0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3cys n ASN 106 Cb 0.46 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3cys n THR 107 N -3.98 0.28 -1.72 3.41 -1.04 -1.21 -4.38 114.28 105.63 3cys n THR 107 Ca -0.08 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.05 60.96 3cys n THR 107 Cb 0.58 0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 70.06 3cys n THR 107 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3cys n ASN 108 N -0.14 3.34 -0.05 8.00 0.23 -1.25 -4.51 115.26 120.88 3cys n ASN 108 Ca 0.00 1.17 -0.04 0.00 -0.53 0.00 0.00 54.58 55.18 3cys n ASN 108 Cb 0.13 -1.53 -0.01 0.00 -2.08 0.00 0.00 39.78 36.28 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 109 N 1.55 -0.58 0.00 4.83 0.00 -1.26 -3.12 105.19 106.62 3cys n GLY 109 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3cys n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cys n SER 110 N -3.58 0.00 -3.61 1.61 2.88 -1.26 -4.15 113.62 105.52 3cys n SER 110 Ca -0.07 0.00 -0.50 0.00 -1.33 0.00 0.00 58.87 56.97 3cys n SER 110 Cb 0.25 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.64 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cys n GLN 111 N 0.00 0.00 -5.08 -1.46 3.00 -1.26 -4.85 117.38 107.73 3cys n GLN 111 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3cys n GLN 111 Cb 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 30.24 28.92 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3cys s PHE 112 N 1.34 2.34 -0.30 1.08 -0.12 -1.26 -2.03 117.98 119.03 3cys s PHE 112 Ca 0.77 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 57.22 3cys s PHE 112 Cb -1.09 -1.45 0.10 0.00 -0.63 0.00 0.00 43.02 39.95 3cys s PHE 112 CO 0.55 0.06 0.12 -0.59 -0.05 0.00 0.00 175.22 175.31 3cys s PHE 113 N -0.72 1.10 0.06 3.49 -0.71 -0.37 -0.23 117.98 120.59 3cys s PHE 113 Ca 0.11 -1.38 -0.37 0.00 -1.04 0.00 0.00 56.93 54.25 3cys s PHE 113 Cb -0.10 -1.35 -0.17 0.00 -1.21 0.00 0.00 43.02 40.19 3cys s PHE 113 CO 0.01 -0.86 1.35 -0.89 -1.34 0.00 0.00 175.22 173.49 3cys n ILE 114 N 4.99 0.02 -3.23 -4.49 5.41 0.92 -4.09 119.36 118.89 3cys n ILE 114 Ca -0.03 -0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.31 3cys n ILE 114 Cb 0.42 -0.80 -0.08 0.00 -0.71 0.00 0.00 39.64 38.48 3cys n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cys n THR 116 N 5.16 2.87 -3.73 0.00 -1.04 -0.60 -0.64 114.28 116.30 3cys n THR 116 Ca -0.04 -3.37 -0.00 0.00 -2.04 0.00 0.00 64.05 58.59 3cys n THR 116 Cb 0.50 -0.89 -0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys s ALA 117 N -3.56 -2.02 -1.02 2.41 0.00 -1.24 -4.46 121.76 111.88 3cys s ALA 117 Ca 0.53 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3cys s ALA 117 Cb 0.44 0.54 0.12 0.00 0.00 0.00 0.00 23.12 24.22 3cys s ALA 117 CO 0.01 -1.06 1.28 0.21 0.00 0.00 0.00 175.76 176.20 3cys s LYS 118 N -2.60 3.71 -0.72 0.00 2.20 -1.26 -3.77 119.74 117.31 3cys s LYS 118 Ca 0.16 -1.82 -0.21 0.00 -0.36 0.00 0.00 55.97 53.74 3cys s LYS 118 Cb 0.02 -5.06 0.10 0.00 -1.51 0.00 0.00 37.83 31.37 3cys s LYS 118 CO -0.01 -1.88 0.94 0.95 -0.36 0.00 0.00 175.35 175.00 3cys s THR 119 N 2.96 4.56 0.10 3.43 -4.23 -1.26 -4.85 115.64 116.34 3cys s THR 119 Ca 0.38 -0.85 0.17 0.00 -1.18 0.00 0.00 61.69 60.21 3cys s THR 119 Cb -0.03 -4.66 0.09 0.00 1.34 0.00 0.00 72.50 69.24 3cys s THR 119 CO -0.07 -1.39 1.64 -0.33 -0.54 0.00 0.00 174.62 173.93 3cys h GLU 120 N 9.27 0.00 -0.01 3.99 5.08 -1.92 -2.86 114.58 128.13 3cys h GLU 120 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3cys h GLU 120 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3cys h GLU 120 CO 1.14 0.45 -0.06 -2.67 -1.00 0.00 0.00 179.01 176.86 3cys n TRP 121 N -3.46 0.00 0.03 4.33 2.14 -1.26 -2.11 117.44 117.11 3cys n TRP 121 Ca 0.00 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.61 3cys n TRP 121 Cb 0.59 -0.08 0.07 0.00 -0.81 0.00 0.00 31.31 31.08 3cys n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3cys n LEU 122 N -0.57 2.19 -0.10 5.67 4.77 -1.09 -4.67 117.00 123.20 3cys n LEU 122 Ca 0.18 -1.64 -0.13 0.00 -0.03 0.00 0.00 56.01 54.38 3cys n LEU 122 Cb 0.27 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3cys n LEU 122 CO 0.20 0.52 0.54 -0.78 -1.33 0.00 0.00 177.39 176.55 3cys h ASP 123 N 1.22 0.85 -2.10 -1.43 3.58 -1.32 -3.17 116.42 114.05 3cys h ASP 123 Ca 0.00 -0.48 -0.63 0.00 0.42 0.00 0.00 57.03 56.34 3cys h ASP 123 Cb 0.51 -0.24 -0.39 0.00 1.72 0.00 0.00 39.33 40.92 3cys h ASP 123 CO 0.00 1.16 -0.34 0.61 -2.88 0.00 0.00 179.24 177.79 3cys n GLY 124 N 0.19 5.77 2.09 -0.78 0.00 -1.26 -4.63 105.19 106.57 3cys n GLY 124 Ca -0.03 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.24 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N -0.29 0.00 -3.24 1.61 4.81 -1.24 -5.14 118.16 114.66 3cys n LYS 125 Ca 0.36 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.61 3cys n LYS 125 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cys s HIS 126 N -2.00 3.04 -0.03 5.64 3.76 -1.20 -5.01 115.29 119.49 3cys s HIS 126 Ca 0.00 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 3cys s HIS 126 Cb 0.00 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 3cys s HIS 126 CO 0.00 -0.21 0.19 0.08 -0.85 0.00 0.00 174.74 173.96 3cys s VAL 127 N -2.30 5.42 -0.19 -0.90 1.01 -1.19 -4.92 120.40 117.32 3cys s VAL 127 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3cys s VAL 127 Cb -0.10 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.83 3cys s VAL 127 CO 0.33 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 175.21 3cys s VAL 128 N -1.25 0.17 -0.28 2.92 1.01 -1.26 -0.16 120.40 121.55 3cys s VAL 128 Ca 0.25 -0.37 0.20 0.00 0.00 0.00 0.00 61.98 62.06 3cys s VAL 128 Cb -0.13 -0.80 0.49 0.00 0.00 0.00 0.00 36.38 35.95 3cys s VAL 128 CO 0.15 -0.28 1.08 0.49 0.00 0.00 0.00 175.10 176.54 3cys n PHE 129 N 5.18 1.39 0.00 5.22 3.72 -1.24 -4.61 117.46 127.12 3cys n PHE 129 Ca -0.08 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 55.03 3cys n PHE 129 Cb 0.48 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cys n GLY 130 N -0.50 0.24 3.70 1.37 0.00 -1.25 -2.80 105.19 105.95 3cys n GLY 130 Ca 0.11 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3cys n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 131 N -2.00 1.61 0.36 1.61 0.00 -1.06 -1.53 119.74 118.74 3cys s LYS 131 Ca 0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 55.97 54.81 3cys s LYS 131 Cb 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 37.83 38.32 3cys s LYS 131 CO 0.00 -0.72 1.09 0.08 0.00 0.00 0.00 175.35 175.80 3cys s VAL 132 N -3.89 3.54 0.00 1.79 1.01 0.24 -1.72 120.40 121.37 3cys s VAL 132 Ca 0.10 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3cys s VAL 132 Cb -0.04 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3cys s VAL 132 CO 0.02 0.13 0.00 1.17 0.00 0.00 0.00 175.10 176.42 3cys n LYS 133 N 0.34 0.00 -3.12 2.72 4.81 -0.61 -4.84 118.16 117.46 3cys n LYS 133 Ca 0.03 0.07 -0.19 0.00 -0.87 0.00 0.00 58.31 57.35 3cys n LYS 133 Cb 0.48 -0.38 -0.05 0.00 0.02 0.00 0.00 35.03 35.10 3cys n LYS 133 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3cys n GLU 134 N -1.48 0.47 -1.72 1.64 1.02 -1.25 -4.91 120.64 114.41 3cys n GLU 134 Ca 0.00 -2.75 -0.02 0.00 -0.02 0.00 0.00 57.16 54.37 3cys n GLU 134 Cb 0.00 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3cys n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cys n GLY 135 N 2.36 0.51 0.25 0.62 0.00 -1.12 -4.82 105.19 102.98 3cys n GLY 135 Ca 0.22 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3cys n GLY 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cys h MET 136 N 0.38 0.00 -0.44 1.61 2.86 -1.91 -2.90 114.93 114.53 3cys h MET 136 Ca -0.27 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 3cys h MET 136 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3cys h MET 136 CO -0.12 0.13 -0.23 -0.97 1.06 0.00 0.00 176.91 176.77 3cys h ASN 137 N 0.00 0.97 0.39 1.22 -1.24 -1.98 0.27 115.58 115.21 3cys h ASN 137 Ca -0.00 -0.41 -0.10 0.00 0.71 0.00 0.00 56.30 56.50 3cys h ASN 137 Cb 0.58 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3cys h ASN 137 CO 0.02 1.17 -0.45 0.40 -1.29 0.00 0.00 177.43 177.28 3cys h ILE 138 N 0.78 1.32 -0.29 2.57 5.03 -1.89 -0.40 117.51 124.64 3cys h ILE 138 Ca 0.10 -1.56 -0.17 0.00 -0.12 0.00 0.00 64.86 63.11 3cys h ILE 138 Cb 0.81 1.80 -0.00 0.00 -3.03 0.00 0.00 36.82 36.39 3cys h ILE 138 CO 0.07 0.45 -0.46 0.58 -0.68 0.00 0.00 178.15 178.11 3cys h VAL 139 N 0.06 1.28 0.00 1.67 2.07 -1.30 -1.30 116.25 118.74 3cys h VAL 139 Ca 0.00 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 3cys h VAL 139 Cb 0.82 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3cys h VAL 139 CO 0.06 0.54 -0.32 -0.08 0.02 0.00 0.00 177.57 177.79 3cys h GLU 140 N 0.60 0.00 -0.15 1.57 4.57 -0.02 -1.67 114.58 119.48 3cys h GLU 140 Ca 0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3cys h GLU 140 Cb 1.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3cys h GLU 140 CO 0.11 0.32 -0.11 0.00 -1.18 0.00 0.00 179.01 178.14 3cys h ALA 141 N 1.68 0.22 -0.03 2.92 0.00 -0.94 -3.04 119.26 120.07 3cys h ALA 141 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3cys h ALA 141 Cb 0.57 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3cys h ALA 141 CO 0.04 0.06 -0.39 0.52 0.00 0.00 0.00 179.25 179.48 3cys h MET 142 N -0.01 -0.51 0.00 0.00 2.86 -0.44 -1.82 114.93 115.02 3cys h MET 142 Ca 0.03 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3cys h MET 142 Cb 0.61 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3cys h MET 142 CO 0.03 -0.34 -0.08 1.05 1.06 0.00 0.00 176.91 178.64 3cys h GLU 143 N -0.53 0.00 -0.01 1.72 4.11 -1.41 0.50 114.58 118.96 3cys h GLU 143 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 3cys h GLU 143 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3cys h GLU 143 CO -0.32 0.08 -0.17 -0.09 0.07 0.00 0.00 179.01 178.57 3cys h ARG 144 N 0.00 0.01 -0.57 1.06 1.12 -1.20 -2.26 114.38 112.54 3cys h ARG 144 Ca -0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3cys h ARG 144 Cb 0.27 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 3cys h ARG 144 CO 0.01 0.19 0.00 1.19 -3.11 0.00 0.00 179.97 178.25 3cys n PHE 145 N -4.33 1.69 -0.32 2.20 3.72 0.16 -4.90 117.46 115.68 3cys n PHE 145 Ca -0.02 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 3cys n PHE 145 Cb 0.24 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cys n GLY 146 N 0.70 1.36 3.67 1.37 0.00 -0.85 -1.50 105.19 109.95 3cys n GLY 146 Ca 0.26 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 3cys n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 147 N -1.00 0.30 0.32 1.61 1.04 -0.75 -3.82 113.70 111.40 3cys s SER 147 Ca 0.00 -1.20 0.18 0.00 0.48 0.00 0.00 55.95 55.41 3cys s SER 147 Cb 0.00 0.75 0.15 0.00 0.10 0.00 0.00 66.02 67.01 3cys s SER 147 CO 0.00 -1.46 1.47 0.08 0.98 0.00 0.00 173.24 174.31 3cys h ARG 148 N 2.07 0.00 0.08 4.02 0.11 -1.89 -3.32 114.38 115.45 3cys h ARG 148 Ca -0.29 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.43 3cys h ARG 148 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 3cys h ARG 148 CO 0.38 0.32 -2.08 0.27 0.10 0.00 0.00 179.97 178.96 3cys n ASN 149 N -3.16 1.87 0.00 0.08 0.23 -1.26 -5.01 115.26 108.01 3cys n ASN 149 Ca 0.02 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 3cys n ASN 149 Cb 0.67 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 150 N 1.99 4.63 3.69 4.83 0.00 -1.25 -4.94 105.19 114.15 3cys n GLY 150 Ca -0.33 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 3cys n GLY 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 151 N 0.00 2.70 -1.41 1.61 0.00 -1.26 -1.32 118.16 118.48 3cys n LYS 151 Ca 0.00 0.98 -0.35 0.00 0.00 0.00 0.00 58.31 58.94 3cys n LYS 151 Cb 0.00 -2.85 0.10 0.00 0.00 0.00 0.00 35.03 32.27 3cys n LYS 151 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3cys s THR 152 N 2.35 2.07 -0.97 3.15 -4.23 -1.26 -4.02 115.64 112.73 3cys s THR 152 Ca 0.81 0.04 0.24 0.00 -1.18 0.00 0.00 61.69 61.60 3cys s THR 152 Cb -0.51 -2.70 0.20 0.00 1.34 0.00 0.00 72.50 70.83 3cys s THR 152 CO 0.37 -0.02 1.77 -1.54 -0.54 0.00 0.00 174.62 174.66 3cys n SER 153 N -2.66 0.06 0.00 3.99 3.41 -0.56 -4.79 113.62 113.07 3cys n SER 153 Ca 0.14 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3cys n SER 153 Cb 0.49 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3cys n SER 153 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3cys n LYS 154 N -1.56 0.00 -3.68 4.33 2.85 -1.26 -5.10 118.16 113.75 3cys n LYS 154 Ca 0.06 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.15 3cys n LYS 154 Cb 0.29 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.51 3cys n LYS 154 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3cys s LYS 155 N 1.76 0.04 -0.06 -1.58 2.47 -1.26 -5.09 119.74 116.02 3cys s LYS 155 Ca 0.00 0.55 0.04 0.00 -1.56 0.00 0.00 55.97 55.00 3cys s LYS 155 Cb 0.00 -0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.10 3cys s LYS 155 CO 0.00 -0.29 -0.20 0.42 0.16 0.00 0.00 175.35 175.44 3cys s ILE 156 N 2.17 2.52 0.09 5.43 -1.09 -1.26 -1.18 121.20 127.88 3cys s ILE 156 Ca 0.02 -0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 3cys s ILE 156 Cb -0.12 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.77 3cys s ILE 156 CO -0.06 0.57 0.05 0.42 -1.23 0.00 0.00 174.94 174.69 3cys s THR 157 N -0.28 0.17 -0.36 2.92 -4.23 -0.85 -4.41 115.64 108.59 3cys s THR 157 Ca 0.01 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 3cys s THR 157 Cb -0.13 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3cys s THR 157 CO 0.03 -0.75 0.23 -0.63 -0.54 0.00 0.00 174.62 172.95 3cys s ILE 158 N -3.95 4.93 -0.00 2.99 1.01 -1.25 -2.43 121.20 122.50 3cys s ILE 158 Ca 0.12 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 3cys s ILE 158 Cb 0.07 -3.65 -0.13 0.00 0.01 0.00 0.00 42.46 38.76 3cys s ILE 158 CO -0.06 -0.14 0.96 0.00 0.00 0.00 0.00 174.94 175.69 3cys h ALA 159 N 8.49 -0.83 -2.37 9.38 0.00 -1.82 -3.45 119.26 128.65 3cys h ALA 159 Ca -0.29 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.61 3cys h ALA 159 Cb 1.13 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 3cys h ALA 159 CO 0.67 -0.77 0.47 0.16 0.00 0.00 0.00 179.25 179.78 3cys s ASP 160 N -4.61 -0.19 0.33 0.00 1.47 -1.25 -5.01 116.67 107.41 3cys s ASP 160 Ca -0.12 -0.39 -0.02 0.00 1.18 0.00 0.00 52.55 53.20 3cys s ASP 160 Cb 0.01 0.49 -0.00 0.00 -0.34 0.00 0.00 42.92 43.08 3cys s ASP 160 CO 0.37 -0.91 0.43 0.00 0.68 0.00 0.00 175.17 175.75 3cys n GLY 162 N -0.55 0.18 3.64 0.00 0.00 -0.94 -4.94 105.19 102.57 3cys n GLY 162 Ca 0.02 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3cys n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cys s GLN 163 N -2.00 2.49 -0.87 1.61 -2.07 -1.26 -1.56 119.66 116.01 3cys s GLN 163 Ca 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 3cys s GLN 163 Cb 0.00 -2.50 0.24 0.00 -1.09 0.00 0.00 33.01 29.66 3cys s GLN 163 CO 0.00 0.56 0.90 1.28 -1.32 0.00 0.00 175.29 176.71 3cys n LEU 164 N 0.91 4.49 -0.08 2.60 4.77 0.36 -4.97 117.00 125.07 3cys n LEU 164 Ca -0.13 -5.23 0.16 0.00 -0.03 0.00 0.00 56.01 50.78 3cys n LEU 164 Cb 0.52 -1.02 0.88 0.00 -2.33 0.00 0.00 43.42 41.47 3cys n LEU 164 CO 0.35 1.72 1.07 1.21 -1.33 0.00 0.00 177.39 180.41