#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys h VAL 2 N 0.00 1.27 -1.40 3.17 -1.51 -1.95 -3.39 116.25 112.44 3cys h VAL 2 Ca 0.00 -1.49 -0.33 0.00 -1.23 0.00 0.00 66.70 63.66 3cys h VAL 2 Cb 0.00 1.28 -0.24 0.00 -2.13 0.00 0.00 31.29 30.20 3cys h VAL 2 CO 0.00 0.50 -0.69 0.59 -1.23 0.00 0.00 177.57 176.74 3cys n ASN 3 N -4.08 -2.22 -4.80 4.19 3.02 -1.26 -1.34 115.26 108.77 3cys n ASN 3 Ca -0.01 -2.77 -0.30 0.00 -0.03 0.00 0.00 54.58 51.47 3cys n ASN 3 Cb 0.51 0.87 0.10 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.46 1.99 0.12 3.52 0.04 -1.23 -4.61 135.00 135.28 3cys s PRO 4 Ca 0.31 0.61 0.10 0.00 0.04 0.00 0.00 61.00 62.06 3cys s PRO 4 Cb 0.05 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3cys s PRO 4 CO -0.12 -1.68 -0.25 0.99 0.04 0.00 0.00 177.00 175.97 3cys s THR 5 N -3.17 2.11 0.31 1.26 2.01 -0.16 -1.33 115.64 116.68 3cys s THR 5 Ca 0.61 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.96 3cys s THR 5 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 3cys s THR 5 CO 0.54 0.07 0.09 0.68 -0.69 0.00 0.00 174.62 175.31 3cys s VAL 6 N -1.06 0.84 0.04 3.82 -7.23 -0.73 -0.05 120.40 116.01 3cys s VAL 6 Ca 0.12 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3cys s VAL 6 Cb -0.10 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3cys s VAL 6 CO 0.05 0.00 -0.04 0.72 -0.31 0.00 0.00 175.10 175.53 3cys s PHE 7 N -3.49 0.45 -0.04 2.82 -0.12 -1.26 -1.45 117.98 114.90 3cys s PHE 7 Ca 0.36 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.46 3cys s PHE 7 Cb 0.08 -0.31 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3cys s PHE 7 CO 0.15 -0.25 0.06 -0.06 -0.05 0.00 0.00 175.22 175.07 3cys s PHE 8 N -2.57 0.04 -0.06 3.49 0.08 0.15 -3.58 117.98 115.54 3cys s PHE 8 Ca -0.04 0.25 -0.18 0.00 0.12 0.00 0.00 56.93 57.07 3cys s PHE 8 Cb -0.02 -0.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 3cys s PHE 8 CO -0.05 -0.17 0.49 0.34 -0.10 0.00 0.00 175.22 175.74 3cys s ASP 9 N 1.89 6.79 -0.08 1.36 2.15 -1.16 -1.13 116.67 126.49 3cys s ASP 9 Ca 0.01 0.94 -0.03 0.00 0.43 0.00 0.00 52.55 53.91 3cys s ASP 9 Cb -0.12 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 3cys s ASP 9 CO -0.03 0.11 0.04 -0.63 -0.17 0.00 0.00 175.17 174.49 3cys s ILE 10 N -0.02 4.61 -0.19 4.11 -1.09 -0.75 -2.65 121.20 125.22 3cys s ILE 10 Ca 0.27 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.47 3cys s ILE 10 Cb -0.16 -2.98 0.06 0.00 -1.58 0.00 0.00 42.46 37.79 3cys s ILE 10 CO 0.13 0.56 0.02 0.00 -1.23 0.00 0.00 174.94 174.42 3cys s ALA 11 N -0.97 1.10 -0.59 9.38 0.00 0.05 -3.24 121.76 127.49 3cys s ALA 11 Ca 0.15 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 3cys s ALA 11 Cb -0.12 -1.18 0.12 0.00 0.00 0.00 0.00 23.12 21.95 3cys s ALA 11 CO 0.05 -1.12 0.63 0.08 0.00 0.00 0.00 175.76 175.39 3cys s VAL 12 N 1.81 5.03 -0.24 0.00 1.01 0.21 -1.36 120.40 126.86 3cys s VAL 12 Ca -0.01 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.46 3cys s VAL 12 Cb -0.17 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.81 3cys s VAL 12 CO -0.08 -1.02 0.34 -0.90 0.00 0.00 0.00 175.10 173.44 3cys n ASP 13 N 5.74 -6.09 -3.30 3.32 5.75 -0.63 -1.84 116.55 119.49 3cys n ASP 13 Ca -0.09 0.15 -0.23 0.00 -0.01 0.00 0.00 54.79 54.61 3cys n ASP 13 Cb 0.42 -1.75 -0.00 0.00 -1.03 0.00 0.00 41.12 38.76 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cys n GLY 14 N 0.52 -0.49 3.08 6.12 0.00 -1.26 -4.91 105.19 108.25 3cys n GLY 14 Ca -0.04 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.95 0.27 -0.55 1.61 -6.30 -0.77 -5.11 118.70 101.90 3cys s GLU 15 Ca 0.38 0.78 -0.28 0.00 -2.50 0.00 0.00 54.97 53.35 3cys s GLU 15 Cb -0.20 -0.06 0.01 0.00 0.00 0.00 0.00 34.13 33.88 3cys s GLU 15 CO 0.46 -0.38 1.49 -1.25 0.02 0.00 0.00 175.26 175.61 3cys s PRO 16 N 2.52 3.23 0.05 4.30 0.04 -1.26 0.65 135.00 144.53 3cys s PRO 16 Ca 0.03 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 3cys s PRO 16 Cb -0.13 -4.16 -0.18 0.00 0.04 0.00 0.00 34.50 30.07 3cys s PRO 16 CO -0.12 -2.02 1.24 1.25 0.04 0.00 0.00 177.00 177.38 3cys h LEU 17 N 13.51 0.66 0.00 -3.56 5.85 -1.90 -3.48 115.31 126.38 3cys h LEU 17 Ca -0.27 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3cys h LEU 17 Cb 1.10 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3cys h LEU 17 CO 1.17 1.19 0.00 0.61 -0.34 0.00 0.00 178.44 181.07 3cys n GLY 18 N 0.71 -1.28 3.04 3.75 0.00 -1.26 -5.07 105.19 105.07 3cys n GLY 18 Ca -0.08 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 3cys n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cys s ARG 19 N -1.29 1.23 0.03 1.61 3.52 -1.26 -1.82 118.95 120.97 3cys s ARG 19 Ca 0.00 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3cys s ARG 19 Cb 0.00 -1.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 3cys s ARG 19 CO 0.00 0.14 0.06 0.08 -0.81 0.00 0.00 175.30 174.77 3cys s VAL 20 N 0.20 4.54 0.12 7.11 1.01 -0.28 -4.81 120.40 128.29 3cys s VAL 20 Ca -0.04 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3cys s VAL 20 Cb -0.10 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3cys s VAL 20 CO 0.01 0.28 -0.20 -0.94 0.00 0.00 0.00 175.10 174.25 3cys s SER 21 N -1.93 2.60 0.13 3.32 1.04 -1.20 -0.67 113.70 117.00 3cys s SER 21 Ca 0.24 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 3cys s SER 21 Cb -0.12 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 3cys s SER 21 CO 0.16 0.03 0.15 -0.36 0.98 0.00 0.00 173.24 174.20 3cys s PHE 22 N -1.44 0.55 -0.01 5.02 0.40 -0.53 -3.37 117.98 118.61 3cys s PHE 22 Ca 0.10 -0.95 0.04 0.00 -0.60 0.00 0.00 56.93 55.51 3cys s PHE 22 Cb -0.09 -0.26 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 3cys s PHE 22 CO 0.05 -0.58 -0.13 -1.83 0.70 0.00 0.00 175.22 173.44 3cys s GLU 23 N -3.98 1.02 -0.17 0.44 -1.05 -0.24 -1.78 118.70 112.94 3cys s GLU 23 Ca 0.17 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.50 3cys s GLU 23 Cb 0.06 -0.98 -0.03 0.00 -0.44 0.00 0.00 34.13 32.74 3cys s GLU 23 CO -0.02 0.27 -0.03 -0.51 0.95 0.00 0.00 175.26 175.92 3cys s LEU 24 N -0.30 3.22 -1.32 1.83 1.02 -0.44 -1.07 118.68 121.62 3cys s LEU 24 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 54.13 53.91 3cys s LEU 24 Cb -0.05 -1.78 0.12 0.00 0.02 0.00 0.00 46.19 44.49 3cys s LEU 24 CO -0.00 0.14 1.86 0.49 0.02 0.00 0.00 176.35 178.85 3cys n PHE 25 N 3.73 3.84 0.66 0.29 3.72 -0.28 -3.54 117.46 125.89 3cys n PHE 25 Ca -0.17 -2.97 0.12 0.00 -0.05 0.00 0.00 57.45 54.38 3cys n PHE 25 Cb 0.52 -2.29 0.47 0.00 -0.94 0.00 0.00 39.48 37.24 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 5.67 2.10 1.88 4.37 0.00 -1.20 -0.92 120.51 132.41 3cys n ALA 26 Ca 0.44 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 54.00 3cys n ALA 26 Cb 0.40 -1.43 0.77 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.97 0.33 0.02 0.00 2.03 -0.45 -2.97 116.55 113.53 3cys n ASP 27 Ca 0.05 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.16 3cys n ASP 27 Cb 0.34 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 3cys n ASP 27 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3cys n LYS 28 N -0.70 0.00 -3.53 -0.67 4.01 -0.75 -4.97 118.16 111.55 3cys n LYS 28 Ca 0.21 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.73 3cys n LYS 28 Cb 0.15 -0.48 -0.11 0.00 -0.51 0.00 0.00 35.03 34.08 3cys n LYS 28 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3cys s VAL 29 N -2.00 0.85 0.16 -0.18 -7.23 -0.10 -4.94 120.40 106.96 3cys s VAL 29 Ca 0.00 -2.73 -0.01 0.00 -1.81 0.00 0.00 61.98 57.43 3cys s VAL 29 Cb 0.00 -1.59 -0.15 0.00 0.56 0.00 0.00 36.38 35.21 3cys s VAL 29 CO 0.00 -1.11 1.37 1.55 -0.31 0.00 0.00 175.10 176.60 3cys h PRO 30 N 5.99 0.34 -0.55 4.82 0.13 -1.74 -1.36 132.00 139.64 3cys h PRO 30 Ca 0.17 -0.34 0.11 0.00 -0.87 0.00 0.00 66.00 65.08 3cys h PRO 30 Cb 0.90 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 3cys h PRO 30 CO 0.42 1.01 0.37 1.57 -0.23 0.00 0.00 178.00 181.15 3cys h LYS 31 N 0.21 0.26 0.07 0.86 -0.00 -1.92 0.70 116.57 116.75 3cys h LYS 31 Ca -0.05 -0.02 -0.28 0.00 -0.00 0.00 0.00 60.65 60.30 3cys h LYS 31 Cb 1.46 -0.06 -0.02 0.00 -0.00 0.00 0.00 32.23 33.61 3cys h LYS 31 CO 0.14 0.17 -1.49 1.15 -0.00 0.00 0.00 179.45 179.43 3cys h THR 32 N 0.27 0.89 -0.92 0.07 2.02 -1.95 -3.36 112.91 109.92 3cys h THR 32 Ca 0.26 -2.29 0.10 0.00 0.77 0.00 0.00 66.41 65.24 3cys h THR 32 Cb 0.65 2.48 -0.08 0.00 -1.74 0.00 0.00 68.15 69.46 3cys h THR 32 CO -0.06 0.61 0.57 0.00 0.37 0.00 0.00 175.52 177.01 3cys h ALA 33 N -0.18 1.34 -0.84 6.16 0.00 -0.75 -0.59 119.26 124.39 3cys h ALA 33 Ca -0.35 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3cys h ALA 33 Cb 1.64 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 3cys h ALA 33 CO -0.04 0.22 0.55 1.49 0.00 0.00 0.00 179.25 181.47 3cys h GLU 34 N 0.95 0.83 -1.81 0.00 4.57 -1.03 -1.67 114.58 116.41 3cys h GLU 34 Ca 0.44 -0.05 -0.34 0.00 -1.18 0.00 0.00 59.36 58.23 3cys h GLU 34 Cb 0.36 -0.19 -0.13 0.00 -0.16 0.00 0.00 28.75 28.63 3cys h GLU 34 CO -0.23 0.55 0.26 0.09 -1.18 0.00 0.00 179.01 178.50 3cys n ASN 35 N -4.50 6.20 0.01 1.04 3.02 -0.23 -3.02 115.26 117.78 3cys n ASN 35 Ca 0.13 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 3cys n ASN 35 Cb 0.27 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 3cys n ASN 35 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3cys n PHE 36 N 0.94 -2.51 0.30 3.10 3.72 -0.70 -4.36 117.46 117.95 3cys n PHE 36 Ca 0.36 0.08 0.17 0.00 -0.05 0.00 0.00 57.45 58.01 3cys n PHE 36 Cb 0.61 0.67 0.93 0.00 -0.94 0.00 0.00 39.48 40.75 3cys n PHE 36 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3cys h ARG 37 N 0.00 0.00 -0.09 -1.08 0.11 -1.47 0.41 114.38 112.26 3cys h ARG 37 Ca 0.00 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 3cys h ARG 37 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 3cys h ARG 37 CO 0.00 0.04 -0.85 0.00 0.10 0.00 0.00 179.97 179.26 3cys h ALA 38 N 1.96 0.32 -0.28 0.08 0.00 -1.78 -1.18 119.26 118.38 3cys h ALA 38 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 3cys h ALA 38 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3cys h ALA 38 CO 0.01 0.71 -0.35 -0.07 0.00 0.00 0.00 179.25 179.54 3cys h LEU 39 N 0.44 0.64 -0.17 0.00 3.38 -1.26 0.25 115.31 118.59 3cys h LEU 39 Ca -0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3cys h LEU 39 Cb 1.48 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3cys h LEU 39 CO 0.17 0.94 -0.07 0.28 0.09 0.00 0.00 178.44 179.84 3cys h SER 40 N 0.52 0.36 1.69 -0.43 0.02 -0.23 -2.87 113.55 112.60 3cys h SER 40 Ca 0.05 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3cys h SER 40 Cb 0.85 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3cys h SER 40 CO 0.07 0.68 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 3cys h THR 41 N 0.04 0.00 -4.24 -2.27 1.03 -1.19 -2.18 112.91 104.09 3cys h THR 41 Ca 0.04 -0.78 -0.40 0.00 -0.01 0.00 0.00 66.41 65.27 3cys h THR 41 Cb 0.54 1.76 0.02 0.00 -1.07 0.00 0.00 68.15 69.40 3cys h THR 41 CO 0.02 0.00 -0.57 0.61 -0.01 0.00 0.00 175.52 175.57 3cys n GLY 42 N 0.96 -0.51 0.21 2.99 0.00 0.89 -4.83 105.19 104.89 3cys n GLY 42 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.19 3cys n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cys h GLU 43 N -0.95 0.03 -0.04 1.61 5.08 -1.82 -1.70 114.58 116.80 3cys h GLU 43 Ca -0.50 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 3cys h GLU 43 Cb 1.35 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3cys h GLU 43 CO 0.56 0.29 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.23 3cys h LYS 44 N 0.03 0.07 0.00 2.33 1.63 -1.88 -3.46 116.57 115.29 3cys h LYS 44 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3cys h LYS 44 Cb 0.48 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3cys h LYS 44 CO 0.03 0.48 0.00 0.41 -3.45 0.00 0.00 179.45 176.92 3cys n GLY 45 N -0.30 1.23 3.00 5.01 0.00 -0.64 -5.11 105.19 108.39 3cys n GLY 45 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3cys n GLY 45 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3cys n PHE 46 N 0.00 0.02 0.00 1.61 1.16 -1.26 -5.00 117.46 113.99 3cys n PHE 46 Ca 0.00 -2.38 0.00 0.00 -1.87 0.00 0.00 57.45 53.20 3cys n PHE 46 Cb 0.00 0.03 0.00 0.00 -1.61 0.00 0.00 39.48 37.90 3cys n PHE 46 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3cys n GLY 47 N -0.50 0.04 2.72 4.97 0.00 -1.26 -4.28 105.19 106.88 3cys n GLY 47 Ca -0.04 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3cys n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cys n TYR 48 N 0.00 3.28 -2.64 1.61 4.02 -1.21 -3.74 117.16 118.48 3cys n TYR 48 Ca 0.00 -2.89 -0.03 0.00 -0.01 0.00 0.00 57.90 54.97 3cys n TYR 48 Cb 0.00 -2.48 0.09 0.00 -0.02 0.00 0.00 39.34 36.93 3cys n TYR 48 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3cys n LYS 49 N 5.92 0.96 0.34 -0.72 2.85 -1.26 -4.28 118.16 121.98 3cys n LYS 49 Ca 0.54 -1.06 -0.14 0.00 -1.05 0.00 0.00 58.31 56.60 3cys n LYS 49 Cb 0.37 0.21 -0.07 0.00 -0.65 0.00 0.00 35.03 34.90 3cys n LYS 49 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3cys h GLY 50 N 1.03 -0.95 0.00 2.58 0.00 -1.62 -3.49 103.07 100.62 3cys h GLY 50 Ca -0.34 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3cys h GLY 50 CO -0.13 -0.35 0.00 1.44 0.00 0.00 0.00 176.54 177.50 3cys n SER 51 N -5.37 0.00 -3.81 0.19 7.64 -1.26 -4.96 113.62 106.05 3cys n SER 51 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.64 3cys n SER 51 Cb 0.36 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys n PHE 53 N 1.72 2.01 -0.04 0.00 3.01 -0.70 -4.35 117.46 119.11 3cys n PHE 53 Ca -0.20 0.43 -0.02 0.00 1.01 0.00 0.00 57.45 58.67 3cys n PHE 53 Cb 0.56 -2.30 -0.01 0.00 -0.01 0.00 0.00 39.48 37.73 3cys n PHE 53 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3cys h HIS 54 N 0.92 0.00 -3.36 1.38 3.86 -1.67 -3.48 115.15 112.80 3cys h HIS 54 Ca -0.51 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.09 3cys h HIS 54 Cb 1.33 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.46 3cys h HIS 54 CO 0.43 0.00 -0.85 0.50 0.86 0.00 0.00 177.93 178.86 3cys s ARG 55 N -1.59 2.53 -0.49 2.45 6.06 -1.26 -4.63 118.95 122.02 3cys s ARG 55 Ca -0.05 -0.70 0.06 0.00 -2.50 0.00 0.00 55.73 52.54 3cys s ARG 55 Cb 0.01 -1.97 0.20 0.00 0.06 0.00 0.00 34.95 33.25 3cys s ARG 55 CO 0.07 0.11 0.47 -0.89 -2.50 0.00 0.00 175.30 172.56 3cys n ILE 56 N 3.68 -0.07 -2.46 4.11 5.41 0.76 -2.71 119.36 128.07 3cys n ILE 56 Ca -0.20 -4.09 -0.42 0.00 1.00 0.00 0.00 62.75 59.04 3cys n ILE 56 Cb 0.52 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 3cys n ILE 56 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3cys s ILE 57 N -0.90 4.08 -0.18 1.39 1.01 -1.24 -3.34 121.20 122.02 3cys s ILE 57 Ca 0.33 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.23 3cys s ILE 57 Cb 0.07 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3cys s ILE 57 CO -0.15 0.15 1.28 -2.16 0.00 0.00 0.00 174.94 174.06 3cys s PRO 58 N 0.79 4.19 0.00 2.79 0.04 -1.25 -3.65 135.00 137.90 3cys s PRO 58 Ca 0.56 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3cys s PRO 58 Cb -0.29 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.47 3cys s PRO 58 CO 0.30 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3cys n GLY 59 N 3.72 0.51 2.05 0.56 0.00 -1.26 -4.96 105.19 105.80 3cys n GLY 59 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.79 -2.91 -3.82 1.61 7.35 -1.24 -4.96 117.46 112.70 3cys n PHE 60 Ca 0.00 0.32 -0.04 0.00 -0.76 0.00 0.00 57.45 56.97 3cys n PHE 60 Cb 0.35 1.20 0.00 0.00 0.35 0.00 0.00 39.48 41.39 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 -1.19 1.43 -0.26 -4.13 0.23 -1.25 -1.19 119.30 112.93 3cys s MET 61 Ca 0.00 -0.87 -0.04 0.00 -1.03 0.00 0.00 55.69 53.75 3cys s MET 61 Cb 0.00 0.43 0.09 0.00 -1.53 0.00 0.00 34.83 33.83 3cys s MET 61 CO 0.00 -0.66 0.13 0.00 -2.03 0.00 0.00 175.02 172.46 3cys s GLN 63 N 2.13 4.56 0.00 0.00 2.00 -1.10 -4.52 119.66 122.73 3cys s GLN 63 Ca 0.07 1.23 0.00 0.00 -2.00 0.00 0.00 55.36 54.67 3cys s GLN 63 Cb -0.16 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.25 3cys s GLN 63 CO -0.30 0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.06 3cys n GLY 64 N 2.56 -1.50 0.09 2.59 0.00 -1.26 -3.95 105.19 103.72 3cys n GLY 64 Ca 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 3cys n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cys h GLY 65 N -0.08 0.00 -0.50 -0.02 0.00 -1.93 -3.19 103.07 97.35 3cys h GLY 65 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3cys h GLY 65 CO 0.00 0.00 -0.08 1.34 0.00 0.00 0.00 176.54 177.80 3cys n ASP 66 N -3.04 -4.67 -4.06 0.19 -0.08 -1.26 -4.49 116.55 99.14 3cys n ASP 66 Ca -0.10 0.24 -0.34 0.00 -1.51 0.00 0.00 54.79 53.08 3cys n ASP 66 Cb 0.93 -0.67 -0.12 0.00 2.34 0.00 0.00 41.12 43.60 3cys n ASP 66 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3cys s PHE 67 N -0.40 3.48 0.00 -0.67 5.36 -1.26 -2.99 117.98 121.51 3cys s PHE 67 Ca 0.00 -2.78 0.00 0.00 -0.96 0.00 0.00 56.93 53.19 3cys s PHE 67 Cb 0.00 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 3cys s PHE 67 CO 0.00 -0.88 0.00 -2.37 -1.46 0.00 0.00 175.22 170.51 3cys n THR 68 N 3.88 0.00 -2.26 0.12 5.66 -1.26 -3.35 114.28 117.06 3cys n THR 68 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.62 3cys n THR 68 Cb 0.38 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 3cys n THR 68 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3cys n ARG 69 N -2.00 4.48 0.04 1.09 0.00 -1.26 -4.30 116.66 114.71 3cys n ARG 69 Ca 0.00 -3.76 0.11 0.00 -0.00 0.00 0.00 57.85 54.21 3cys n ARG 69 Cb 0.00 -2.67 -0.07 0.00 0.00 0.00 0.00 32.46 29.72 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 1.94 0.46 0.07 -0.14 -0.00 -1.26 -4.15 115.22 112.14 3cys n HIS 70 Ca 0.51 0.13 -0.17 0.00 -0.00 0.00 0.00 57.72 58.20 3cys n HIS 70 Cb 0.28 -0.68 -0.14 0.00 -0.00 0.00 0.00 29.99 29.45 3cys n HIS 70 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 3cys h ASN 71 N 0.00 0.40 0.00 0.41 -1.24 -2.00 -3.48 115.58 109.67 3cys h ASN 71 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.48 3cys h ASN 71 Cb 0.95 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.88 3cys h ASN 71 CO 0.00 1.44 0.00 0.61 -1.29 0.00 0.00 177.43 178.19 3cys n GLY 72 N 1.65 1.43 0.00 1.57 0.00 -1.26 -4.96 105.19 103.62 3cys n GLY 72 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 3cys n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cys n THR 73 N 0.00 0.01 -0.19 2.61 -1.04 -1.26 -4.94 114.28 109.47 3cys n THR 73 Ca 0.00 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.83 3cys n THR 73 Cb 0.00 0.67 0.02 0.00 -1.82 0.00 0.00 70.33 69.20 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cys n GLY 74 N 1.43 -3.35 0.48 3.41 0.00 -1.26 -4.93 105.19 100.97 3cys n GLY 74 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.25 -0.80 3.41 -0.02 0.00 -1.21 -4.75 105.19 102.05 3cys n GLY 75 Ca 0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.20 1.48 0.95 1.61 1.02 -1.26 -4.76 119.74 118.58 3cys s LYS 76 Ca 0.00 -1.51 -0.14 0.00 0.02 0.00 0.00 55.97 54.34 3cys s LYS 76 Cb 0.00 -1.77 0.21 0.00 -0.52 0.00 0.00 37.83 35.75 3cys s LYS 76 CO 0.00 0.38 1.29 -1.12 -0.92 0.00 0.00 175.35 174.98 3cys s SER 77 N -2.66 3.09 0.00 2.83 0.01 0.60 -4.67 113.70 112.89 3cys s SER 77 Ca 0.20 0.06 0.18 0.00 1.31 0.00 0.00 55.95 57.70 3cys s SER 77 Cb -0.08 -0.07 0.18 0.00 0.21 0.00 0.00 66.02 66.26 3cys s SER 77 CO 0.09 -2.73 1.12 2.30 0.41 0.00 0.00 173.24 174.43 3cys n ILE 78 N -3.68 0.10 0.62 1.44 -0.00 -1.26 -4.12 119.36 112.45 3cys n ILE 78 Ca 0.17 -0.55 0.07 0.00 -0.00 0.00 0.00 62.75 62.43 3cys n ILE 78 Cb 0.59 1.29 -0.02 0.00 -0.00 0.00 0.00 39.64 41.51 3cys n ILE 78 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3cys n TYR 79 N 1.05 0.00 0.00 4.28 4.01 -1.26 -4.99 117.16 120.25 3cys n TYR 79 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3cys n TYR 79 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.12 -0.84 1.12 2.72 0.00 -1.26 -4.98 105.19 103.08 3cys n GLY 80 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3cys n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 81 N 0.00 0.00 -3.70 1.61 2.13 -1.26 -4.60 120.64 114.82 3cys n GLU 81 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3cys n GLU 81 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 3cys n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3cys s LYS 82 N -1.68 0.94 0.21 5.31 0.00 -1.26 -0.29 119.74 122.96 3cys s LYS 82 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 55.97 55.31 3cys s LYS 82 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 37.83 38.17 3cys s LYS 82 CO 0.00 -0.43 0.47 -0.59 0.00 0.00 0.00 175.35 174.80 3cys s PHE 83 N -3.02 0.13 1.02 1.78 -0.71 -1.23 -5.01 117.98 110.93 3cys s PHE 83 Ca 0.12 -0.48 -0.13 0.00 -1.04 0.00 0.00 56.93 55.39 3cys s PHE 83 Cb 0.00 0.25 0.12 0.00 -1.21 0.00 0.00 43.02 42.18 3cys s PHE 83 CO -0.00 -0.91 0.57 0.39 -1.34 0.00 0.00 175.22 173.93 3cys n GLU 84 N -0.33 -0.97 -3.17 1.99 1.02 -1.26 -3.38 120.64 114.53 3cys n GLU 84 Ca -0.07 -0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 56.53 3cys n GLU 84 Cb 0.62 -1.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 3cys n GLU 84 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cys s ASP 85 N -2.17 6.52 0.00 1.62 2.15 -1.26 -4.76 116.67 118.77 3cys s ASP 85 Ca 0.61 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.52 3cys s ASP 85 Cb -0.20 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3cys s ASP 85 CO 0.65 -0.24 0.00 1.21 -0.17 0.00 0.00 175.17 176.61 3cys n GLU 86 N -0.88 0.00 -3.61 4.34 0.00 -1.26 -5.03 120.64 114.20 3cys n GLU 86 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 57.16 57.34 3cys n GLU 86 Cb 0.54 -0.54 -0.00 0.00 0.00 0.00 0.00 31.44 31.43 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3cys s ASN 87 N -2.10 -0.02 -0.69 4.31 4.22 -1.26 -5.03 114.94 114.36 3cys s ASN 87 Ca 0.00 -0.05 -0.00 0.00 -2.14 0.00 0.00 52.86 50.66 3cys s ASN 87 Cb 0.00 0.06 0.40 0.00 1.28 0.00 0.00 41.25 42.99 3cys s ASN 87 CO 0.00 -0.11 1.83 0.49 -2.04 0.00 0.00 177.10 177.27 3cys n PHE 88 N -0.53 3.10 -0.09 1.54 3.72 -1.26 -4.73 117.46 119.20 3cys n PHE 88 Ca -0.08 -2.63 -0.06 0.00 -0.05 0.00 0.00 57.45 54.62 3cys n PHE 88 Cb 0.63 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 1.81 0.51 -3.75 4.37 2.04 -1.96 -3.41 117.51 117.12 3cys h ILE 89 Ca 0.53 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.90 3cys h ILE 89 Cb 0.50 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3cys h ILE 89 CO 1.35 0.00 0.14 -0.76 0.00 0.00 0.00 178.15 178.87 3cys s LEU 90 N -10.58 3.88 0.00 1.44 1.02 -1.26 -5.08 118.68 108.10 3cys s LEU 90 Ca -0.14 1.22 0.01 0.00 0.02 0.00 0.00 54.13 55.25 3cys s LEU 90 Cb 0.14 -4.09 0.01 0.00 0.02 0.00 0.00 46.19 42.27 3cys s LEU 90 CO 0.70 -0.36 0.12 0.29 0.02 0.00 0.00 176.35 177.12 3cys n LYS 91 N -1.03 0.75 -3.59 1.70 5.02 -1.26 -4.47 118.16 115.29 3cys n LYS 91 Ca 0.03 -3.58 -0.38 0.00 -2.02 0.00 0.00 58.31 52.35 3cys n LYS 91 Cb 0.54 0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 36.28 3cys n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 92 N -2.78 3.84 0.18 2.13 3.76 -1.26 -4.89 115.29 116.27 3cys s HIS 92 Ca 0.09 -2.83 -0.13 0.00 -0.15 0.00 0.00 55.06 52.03 3cys s HIS 92 Cb -0.01 -3.37 0.08 0.00 1.11 0.00 0.00 32.58 30.40 3cys s HIS 92 CO 0.06 -0.81 1.84 1.79 -0.85 0.00 0.00 174.74 176.77 3cys h THR 93 N 4.31 1.15 0.00 1.30 1.35 -1.97 -3.43 112.91 115.62 3cys h THR 93 Ca 0.12 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3cys h THR 93 Cb 0.87 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3cys h THR 93 CO 0.84 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 3cys n GLY 94 N -1.24 -1.00 3.74 5.82 0.00 -1.26 -4.92 105.19 106.33 3cys n GLY 94 Ca 0.04 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 4.57 0.00 1.61 0.04 -1.25 -4.21 135.00 135.62 3cys s PRO 95 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3cys s PRO 95 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3cys s PRO 95 CO 0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 3cys n GLY 96 N 2.10 0.59 3.07 0.56 0.00 0.17 -4.87 105.19 106.81 3cys n GLY 96 Ca 0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.83 1.12 -1.09 -0.61 1.09 -1.20 -3.72 121.20 114.96 3cys s ILE 97 Ca 0.00 -0.54 -0.19 0.00 -1.10 0.00 0.00 60.65 58.82 3cys s ILE 97 Cb 0.00 -0.98 0.10 0.00 -1.06 0.00 0.00 42.46 40.52 3cys s ILE 97 CO 0.00 0.33 1.42 -0.22 -0.10 0.00 0.00 174.94 176.37 3cys s LEU 98 N 0.15 4.30 -0.04 2.97 2.96 -1.13 -2.76 118.68 125.14 3cys s LEU 98 Ca -0.04 -2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 51.72 3cys s LEU 98 Cb -0.10 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3cys s LEU 98 CO 0.01 -1.17 0.08 -0.55 -1.32 0.00 0.00 176.35 173.41 3cys s SER 99 N 4.03 5.77 0.22 3.68 0.15 -1.26 -3.02 113.70 123.27 3cys s SER 99 Ca 0.43 0.22 -0.06 0.00 0.70 0.00 0.00 55.95 57.24 3cys s SER 99 Cb -0.01 -1.70 -0.06 0.00 -1.71 0.00 0.00 66.02 62.54 3cys s SER 99 CO -0.04 0.31 0.49 -0.04 1.20 0.00 0.00 173.24 175.17 3cys s MET 100 N -1.48 3.68 0.00 5.44 -1.94 0.58 -2.27 119.30 123.31 3cys s MET 100 Ca 0.20 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 3cys s MET 100 Cb -0.12 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.01 3cys s MET 100 CO 0.10 0.33 0.00 0.00 -0.01 0.00 0.00 175.02 175.45 3cys n ALA 101 N -0.36 0.00 -0.75 3.03 0.00 -1.21 -4.03 120.51 117.19 3cys n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3cys n ALA 101 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3cys n ALA 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cys n ASN 102 N -0.04 -1.87 -3.21 0.00 3.02 -1.26 -4.79 115.26 107.11 3cys n ASN 102 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 3cys n ASN 102 Cb 0.00 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 3cys n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cys n ALA 103 N 0.20 7.08 0.00 5.41 0.00 -1.26 -4.89 120.51 127.04 3cys n ALA 103 Ca 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.85 3cys n ALA 103 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 2.49 -1.42 3.76 0.00 0.00 -1.26 -4.85 105.19 103.91 3cys n GLY 104 Ca 0.67 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 4.63 -1.19 1.61 0.04 -1.26 -3.74 135.00 135.09 3cys s PRO 105 Ca 0.00 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 3cys s PRO 105 Cb 0.00 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.39 3cys s PRO 105 CO 0.00 0.23 1.04 -1.71 0.04 0.00 0.00 177.00 176.59 3cys n ASN 106 N 1.14 -5.15 -0.15 6.66 2.85 -1.26 -4.85 115.26 114.50 3cys n ASN 106 Ca -0.01 -0.50 0.03 0.00 -0.11 0.00 0.00 54.58 53.99 3cys n ASN 106 Cb 0.45 -4.60 0.04 0.00 1.24 0.00 0.00 39.78 36.91 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3cys n THR 107 N -4.57 0.82 -2.60 -0.44 -2.24 -1.25 -4.50 114.28 99.51 3cys n THR 107 Ca -0.05 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.37 3cys n THR 107 Cb 0.57 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3cys n THR 107 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3cys s ASN 108 N -1.37 6.56 0.00 3.42 3.84 -1.22 -4.59 114.94 121.59 3cys s ASN 108 Ca 0.10 0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.49 3cys s ASN 108 Cb 0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 3cys s ASN 108 CO 0.01 -1.32 0.00 0.61 -2.79 0.00 0.00 177.10 173.61 3cys n GLY 109 N 4.93 -1.59 0.00 1.21 0.00 -1.26 -3.51 105.19 104.96 3cys n GLY 109 Ca 0.11 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3cys n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 110 N 0.00 0.00 -4.43 1.61 3.41 -1.26 -2.53 113.62 110.43 3cys n SER 110 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 3cys n SER 110 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3cys n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cys s GLN 111 N 0.64 1.55 0.37 4.33 1.11 -1.26 -4.84 119.66 121.56 3cys s GLN 111 Ca 0.00 -1.70 0.08 0.00 0.01 0.00 0.00 55.36 53.76 3cys s GLN 111 Cb 0.00 -1.55 -0.05 0.00 -1.01 0.00 0.00 33.01 30.40 3cys s GLN 111 CO 0.00 0.28 0.11 -0.59 0.01 0.00 0.00 175.29 175.10 3cys s PHE 112 N -2.62 2.62 -0.01 0.91 -0.12 -1.26 -3.32 117.98 114.17 3cys s PHE 112 Ca 0.27 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 56.72 3cys s PHE 112 Cb -0.04 -1.71 -0.08 0.00 -0.63 0.00 0.00 43.02 40.57 3cys s PHE 112 CO 0.12 0.33 0.11 1.97 -0.05 0.00 0.00 175.22 177.70 3cys n PHE 113 N -1.11 0.00 -2.00 3.49 1.16 -0.96 -4.27 117.46 113.77 3cys n PHE 113 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 3cys n PHE 113 Cb 0.63 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 3cys n PHE 113 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3cys n ILE 114 N -1.71-11.25 -2.82 1.97 5.41 -1.24 -1.75 119.36 107.97 3cys n ILE 114 Ca -0.01 2.61 -0.41 0.00 1.00 0.00 0.00 62.75 65.93 3cys n ILE 114 Cb 0.17 -5.34 -0.03 0.00 -0.71 0.00 0.00 39.64 33.72 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 4.19 2.61 -3.66 0.00 -1.04 -0.34 -0.65 114.28 115.38 3cys n THR 116 Ca 0.05 -3.52 0.01 0.00 -2.04 0.00 0.00 64.05 58.55 3cys n THR 116 Cb 0.50 -0.76 -0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 -3.47 -2.20 -0.68 2.41 0.00 -1.26 -4.70 121.76 111.86 3cys s ALA 117 Ca 0.49 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 3cys s ALA 117 Cb 0.41 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.90 3cys s ALA 117 CO 0.00 -1.06 2.15 0.21 0.00 0.00 0.00 175.76 177.06 3cys s LYS 118 N -2.45 2.24 -0.46 0.00 2.47 -1.26 -3.86 119.74 116.42 3cys s LYS 118 Ca 0.15 0.60 0.03 0.00 -1.56 0.00 0.00 55.97 55.19 3cys s LYS 118 Cb 0.04 -4.68 0.16 0.00 -1.46 0.00 0.00 37.83 31.89 3cys s LYS 118 CO -0.03 -3.40 0.34 0.95 0.16 0.00 0.00 175.35 173.36 3cys s THR 119 N 11.41 0.96 -0.32 3.43 -4.23 -1.26 -4.94 115.64 120.68 3cys s THR 119 Ca 0.82 -2.83 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 3cys s THR 119 Cb -0.12 -1.66 0.64 0.00 1.34 0.00 0.00 72.50 72.69 3cys s THR 119 CO 0.14 -1.11 1.54 -1.84 -0.54 0.00 0.00 174.62 172.82 3cys n GLU 120 N 2.93 3.67 0.00 3.99 0.28 -1.26 -3.68 120.64 126.58 3cys n GLU 120 Ca 0.22 -2.92 0.13 0.00 -0.16 0.00 0.00 57.16 54.43 3cys n GLU 120 Cb 0.42 -1.97 0.36 0.00 1.43 0.00 0.00 31.44 31.69 3cys n GLU 120 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 3cys n TRP 121 N 0.07 0.00 1.09 -1.84 2.14 -1.26 -3.13 117.44 114.50 3cys n TRP 121 Ca 0.23 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.92 3cys n TRP 121 Cb 0.98 -0.31 0.13 0.00 -0.81 0.00 0.00 31.31 31.29 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 -1.47 1.76 0.39 5.67 4.77 -1.24 -4.62 117.00 122.26 3cys n LEU 122 Ca 0.06 -0.61 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 3cys n LEU 122 Cb 0.34 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3cys n LEU 122 CO 0.32 0.32 0.61 -0.78 -1.33 0.00 0.00 177.39 176.54 3cys h ASP 123 N 2.17 -0.83 1.16 -1.43 3.58 -1.75 0.35 116.42 119.67 3cys h ASP 123 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3cys h ASP 123 Cb 0.69 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3cys h ASP 123 CO 0.00 -0.57 0.00 0.61 -2.88 0.00 0.00 179.24 176.40 3cys n GLY 124 N -1.42 -1.53 0.12 -0.78 0.00 -1.26 -3.28 105.19 97.04 3cys n GLY 124 Ca -0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 3cys n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cys n LYS 125 N -2.00 0.68 -4.01 1.61 4.01 -1.02 -5.01 118.16 112.42 3cys n LYS 125 Ca 0.05 0.14 -0.23 0.00 -0.51 0.00 0.00 58.31 57.76 3cys n LYS 125 Cb 0.35 -1.57 -0.06 0.00 -0.51 0.00 0.00 35.03 33.24 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3cys s HIS 126 N -2.53 2.75 0.11 2.13 3.76 0.12 -5.04 115.29 116.58 3cys s HIS 126 Ca -0.24 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 54.34 3cys s HIS 126 Cb 0.08 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3cys s HIS 126 CO 0.71 0.27 0.01 0.08 -0.85 0.00 0.00 174.74 174.96 3cys s VAL 127 N -2.41 4.04 -0.06 -0.90 1.01 -1.26 -4.78 120.40 116.05 3cys s VAL 127 Ca 0.39 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3cys s VAL 127 Cb -0.03 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3cys s VAL 127 CO 0.24 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.54 3cys s VAL 128 N -1.40 1.54 0.00 2.92 1.01 -1.26 -0.31 120.40 122.90 3cys s VAL 128 Ca 0.27 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3cys s VAL 128 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3cys s VAL 128 CO 0.19 0.44 0.93 2.22 0.00 0.00 0.00 175.10 178.89 3cys n PHE 129 N 3.32 0.00 -3.81 5.22 -1.74 -1.17 -4.45 117.46 114.83 3cys n PHE 129 Ca -0.19 -0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 3cys n PHE 129 Cb 0.53 -0.01 0.01 0.00 1.52 0.00 0.00 39.48 41.52 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 130 N 0.00 0.65 3.33 4.97 0.00 -1.25 -1.12 105.19 111.77 3cys n GLY 130 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3cys n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 131 N -2.01 0.98 -0.91 1.61 2.36 -0.23 -2.82 119.74 118.72 3cys s LYS 131 Ca 0.11 -0.46 -0.21 0.00 -2.55 0.00 0.00 55.97 52.85 3cys s LYS 131 Cb -0.01 0.44 0.09 0.00 -1.05 0.00 0.00 37.83 37.30 3cys s LYS 131 CO 0.01 -0.36 1.23 0.08 1.55 0.00 0.00 175.35 177.86 3cys s VAL 132 N -2.91 4.33 -1.19 4.02 1.01 -1.24 -1.08 120.40 123.34 3cys s VAL 132 Ca -0.03 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 3cys s VAL 132 Cb 0.00 -4.87 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 3cys s VAL 132 CO -0.05 -1.67 1.99 1.17 0.00 0.00 0.00 175.10 176.53 3cys n LYS 133 N 7.70 2.35 -0.71 2.72 4.81 -1.22 -4.78 118.16 129.03 3cys n LYS 133 Ca 0.22 -2.52 0.01 0.00 -0.87 0.00 0.00 58.31 55.15 3cys n LYS 133 Cb 0.49 -3.31 -0.00 0.00 0.02 0.00 0.00 35.03 32.23 3cys n LYS 133 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3cys n GLU 134 N 7.23 -1.85 0.00 1.64 2.13 -1.26 -4.57 120.64 123.96 3cys n GLU 134 Ca 0.49 1.44 0.00 0.00 0.66 0.00 0.00 57.16 59.76 3cys n GLU 134 Cb 0.42 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.31 3cys n GLU 134 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cys n GLY 135 N -2.10 0.65 0.15 8.31 0.00 -1.26 -3.22 105.19 107.72 3cys n GLY 135 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3cys n GLY 135 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cys n MET 136 N -1.17 0.18 0.10 1.61 0.00 -1.26 -1.06 117.12 115.52 3cys n MET 136 Ca 0.00 0.50 0.04 0.00 0.00 0.00 0.00 57.70 58.24 3cys n MET 136 Cb 0.00 -1.91 0.44 0.00 0.00 0.00 0.00 33.22 31.74 3cys n MET 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 3cys h ASN 137 N 0.00 0.29 -0.02 3.17 -1.24 -1.98 0.23 115.58 116.03 3cys h ASN 137 Ca 0.00 -0.03 -0.22 0.00 0.71 0.00 0.00 56.30 56.76 3cys h ASN 137 Cb 0.24 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.23 3cys h ASN 137 CO 0.00 0.32 -0.82 0.40 -1.29 0.00 0.00 177.43 176.04 3cys h ILE 138 N 0.32 1.30 -0.58 2.57 1.08 -1.47 -0.81 117.51 119.92 3cys h ILE 138 Ca 0.08 -2.07 -0.01 0.00 -0.39 0.00 0.00 64.86 62.47 3cys h ILE 138 Cb 0.16 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 3cys h ILE 138 CO -0.00 0.65 0.33 0.58 -0.69 0.00 0.00 178.15 179.02 3cys h VAL 139 N 0.45 1.18 -0.50 1.67 2.07 -1.33 -0.08 116.25 119.72 3cys h VAL 139 Ca -0.06 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3cys h VAL 139 Cb 1.44 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3cys h VAL 139 CO 0.16 0.19 0.29 -0.08 0.02 0.00 0.00 177.57 178.15 3cys h GLU 140 N 0.78 0.69 -0.92 1.57 4.81 -0.49 0.10 114.58 121.12 3cys h GLU 140 Ca 0.21 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3cys h GLU 140 Cb 0.02 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3cys h GLU 140 CO -0.04 0.52 0.61 0.00 -0.73 0.00 0.00 179.01 179.37 3cys h ALA 141 N 1.13 1.40 -0.22 2.92 0.00 -0.61 0.20 119.26 124.08 3cys h ALA 141 Ca 0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3cys h ALA 141 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3cys h ALA 141 CO -0.03 0.51 -0.20 0.52 0.00 0.00 0.00 179.25 180.05 3cys h MET 142 N 1.17 0.52 -0.26 0.00 2.86 -0.53 -3.01 114.93 115.69 3cys h MET 142 Ca 0.36 -0.27 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3cys h MET 142 Cb -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3cys h MET 142 CO -0.11 0.85 -0.47 1.05 1.06 0.00 0.00 176.91 179.29 3cys h GLU 143 N 0.21 0.68 -0.00 1.72 4.11 -0.04 -2.49 114.58 118.77 3cys h GLU 143 Ca 0.04 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3cys h GLU 143 Cb 0.74 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3cys h GLU 143 CO 0.05 1.00 -0.00 2.89 0.07 0.00 0.00 179.01 183.02 3cys n ARG 144 N -4.01 1.19 0.00 1.06 1.85 0.62 -1.68 116.66 115.69 3cys n ARG 144 Ca -0.03 -0.28 0.10 0.00 -1.00 0.00 0.00 57.85 56.63 3cys n ARG 144 Cb 0.57 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.48 3cys n ARG 144 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3cys n PHE 145 N -0.66 0.00 -0.48 2.89 3.01 -0.96 -5.00 117.46 116.26 3cys n PHE 145 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 3cys n PHE 145 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cys n GLY 146 N 1.29 -1.58 3.71 1.37 0.00 -0.68 -4.30 105.19 105.00 3cys n GLY 146 Ca 0.08 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 3cys n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cys s SER 147 N -1.22 -0.37 0.06 1.61 0.01 -1.21 -4.65 113.70 107.93 3cys s SER 147 Ca 0.00 -0.40 0.28 0.00 1.31 0.00 0.00 55.95 57.14 3cys s SER 147 Cb 0.00 0.68 1.10 0.00 0.21 0.00 0.00 66.02 68.01 3cys s SER 147 CO 0.00 -1.22 1.87 -2.11 0.41 0.00 0.00 173.24 172.19 3cys n ARG 148 N -0.43 0.07 0.00 12.44 1.85 -1.26 -2.57 116.66 126.76 3cys n ARG 148 Ca -0.08 0.07 0.13 0.00 -1.00 0.00 0.00 57.85 56.97 3cys n ARG 148 Cb 0.61 -1.58 0.64 0.00 -1.05 0.00 0.00 32.46 31.08 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3cys n ASN 149 N -1.71 0.00 0.00 2.89 6.94 -1.26 -4.89 115.26 117.23 3cys n ASN 149 Ca 0.06 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 3cys n ASN 149 Cb 0.35 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cys n GLY 150 N 1.19 2.23 3.60 4.83 0.00 -1.06 -5.11 105.19 110.87 3cys n GLY 150 Ca 0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3cys n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 151 N 0.00 1.70 1.17 1.61 -2.85 -1.24 -0.17 119.74 119.95 3cys s LYS 151 Ca 0.00 -1.36 -0.17 0.00 -1.00 0.00 0.00 55.97 53.44 3cys s LYS 151 Cb 0.00 0.49 0.20 0.00 -2.06 0.00 0.00 37.83 36.45 3cys s LYS 151 CO 0.00 -0.72 0.40 -2.37 0.10 0.00 0.00 175.35 172.76 3cys n THR 152 N -0.44 0.00 -2.29 3.79 5.66 -1.26 -3.94 114.28 115.80 3cys n THR 152 Ca -0.02 -0.34 -0.36 0.00 -3.05 0.00 0.00 64.05 60.29 3cys n THR 152 Cb 0.61 -0.75 0.02 0.00 -1.55 0.00 0.00 70.33 68.66 3cys n THR 152 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3cys n SER 153 N -3.04 6.48 0.00 1.09 7.64 -1.26 -4.82 113.62 119.71 3cys n SER 153 Ca 0.02 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.13 3cys n SER 153 Cb 0.58 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cys n LYS 154 N -0.41 0.00 -2.65 1.43 4.76 -1.26 -5.13 118.16 114.89 3cys n LYS 154 Ca 0.47 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.89 3cys n LYS 154 Cb 0.36 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.59 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3cys s LYS 155 N 1.71 0.02 -0.96 1.97 -0.14 -1.26 -4.92 119.74 116.15 3cys s LYS 155 Ca 0.00 -0.01 -0.22 0.00 -1.36 0.00 0.00 55.97 54.38 3cys s LYS 155 Cb 0.00 -0.00 0.07 0.00 -1.68 0.00 0.00 37.83 36.22 3cys s LYS 155 CO 0.00 -0.02 1.33 0.42 -0.76 0.00 0.00 175.35 176.32 3cys s ILE 156 N 1.23 4.14 0.11 2.17 -1.09 -1.26 -1.61 121.20 124.88 3cys s ILE 156 Ca 0.20 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.80 3cys s ILE 156 Cb 0.13 -4.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 3cys s ILE 156 CO -0.13 -1.80 -0.05 0.42 -1.23 0.00 0.00 174.94 172.15 3cys s THR 157 N 4.39 3.65 -0.14 2.92 -4.23 -0.47 -1.71 115.64 120.05 3cys s THR 157 Ca 0.41 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.53 3cys s THR 157 Cb -0.02 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3cys s THR 157 CO -0.07 0.08 0.56 -0.63 -0.54 0.00 0.00 174.62 174.02 3cys s ILE 158 N -1.32 5.11 -0.03 2.99 -1.09 -1.23 -0.77 121.20 124.86 3cys s ILE 158 Ca 0.24 1.10 -0.19 0.00 -2.23 0.00 0.00 60.65 59.57 3cys s ILE 158 Cb -0.11 -3.89 -0.12 0.00 -1.58 0.00 0.00 42.46 36.76 3cys s ILE 158 CO 0.16 0.24 0.80 0.00 -1.23 0.00 0.00 174.94 174.90 3cys h ALA 159 N 7.04 -0.44 -2.49 9.38 0.00 -1.83 -3.47 119.26 127.45 3cys h ALA 159 Ca -0.37 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.52 3cys h ALA 159 Cb 1.17 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 3cys h ALA 159 CO 0.76 -0.46 0.47 -0.51 0.00 0.00 0.00 179.25 179.51 3cys s ASP 160 N -5.10 -0.12 0.06 0.00 1.01 -1.26 -5.03 116.67 106.23 3cys s ASP 160 Ca -0.10 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.59 3cys s ASP 160 Cb 0.01 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 3cys s ASP 160 CO 0.36 -1.03 -0.01 0.00 0.21 0.00 0.00 175.17 174.70 3cys n GLY 162 N 0.07 3.15 3.14 0.00 0.00 -0.82 -4.77 105.19 105.96 3cys n GLY 162 Ca -0.12 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 1.19 0.65 0.33 1.61 -2.07 -1.26 -3.75 119.66 116.35 3cys s GLN 163 Ca 0.00 -0.80 0.03 0.00 -1.82 0.00 0.00 55.36 52.77 3cys s GLN 163 Cb 0.00 0.26 -0.05 0.00 -1.09 0.00 0.00 33.01 32.13 3cys s GLN 163 CO 0.00 -0.17 0.09 -0.51 -1.32 0.00 0.00 175.29 173.38 3cys s LEU 164 N -2.29 1.98 0.00 2.60 1.43 0.92 -4.93 118.68 118.39 3cys s LEU 164 Ca -0.03 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 3cys s LEU 164 Cb 0.00 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.04 3cys s LEU 164 CO -0.06 -0.73 0.44 -1.84 0.23 0.00 0.00 176.35 174.40