#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys s VAL 2 N 0.00 1.07 0.02 3.17 1.01 -1.26 -5.15 120.40 119.27 3cys s VAL 2 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3cys s VAL 2 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3cys s VAL 2 CO 0.00 0.18 -0.04 0.20 0.00 0.00 0.00 175.10 175.44 3cys s ASN 3 N -0.64 0.40 0.44 3.32 -0.87 -1.26 -4.88 114.94 111.45 3cys s ASN 3 Ca 0.04 -0.46 -0.22 0.00 -1.57 0.00 0.00 52.86 50.65 3cys s ASN 3 Cb -0.06 0.07 -0.09 0.00 -0.02 0.00 0.00 41.25 41.15 3cys s ASN 3 CO 0.00 -0.23 1.05 -2.16 -2.57 0.00 0.00 177.10 173.19 3cys s PRO 4 N -1.32 4.00 0.11 -0.60 0.04 -1.26 -4.94 135.00 131.02 3cys s PRO 4 Ca -0.12 1.46 0.10 0.00 0.04 0.00 0.00 61.00 62.47 3cys s PRO 4 Cb -0.09 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3cys s PRO 4 CO -0.01 -0.27 -0.24 0.99 0.04 0.00 0.00 177.00 177.51 3cys s THR 5 N -1.79 2.43 0.25 1.26 2.01 -1.26 -3.92 115.64 114.62 3cys s THR 5 Ca 0.62 -1.59 0.05 0.00 0.31 0.00 0.00 61.69 61.08 3cys s THR 5 Cb -0.20 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 3cys s THR 5 CO 0.25 0.16 -0.05 0.68 -0.69 0.00 0.00 174.62 174.96 3cys s VAL 6 N -1.03 1.41 0.09 3.82 -7.23 -0.98 -1.52 120.40 114.97 3cys s VAL 6 Ca 0.15 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 3cys s VAL 6 Cb -0.10 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3cys s VAL 6 CO 0.06 -0.35 -0.17 0.72 -0.31 0.00 0.00 175.10 175.06 3cys s PHE 7 N -3.17 1.44 -0.09 2.82 -0.12 -1.05 -1.16 117.98 116.65 3cys s PHE 7 Ca 0.28 -0.46 -0.03 0.00 -0.05 0.00 0.00 56.93 56.68 3cys s PHE 7 Cb 0.04 -0.79 0.04 0.00 -0.63 0.00 0.00 43.02 41.68 3cys s PHE 7 CO 0.10 0.12 0.05 -0.06 -0.05 0.00 0.00 175.22 175.38 3cys s PHE 8 N -1.34 0.29 -0.17 3.49 0.40 0.54 -3.28 117.98 117.90 3cys s PHE 8 Ca 0.02 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 3cys s PHE 8 Cb -0.09 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 3cys s PHE 8 CO 0.03 -0.33 0.39 0.34 0.70 0.00 0.00 175.22 176.35 3cys s ASP 9 N 2.10 6.49 -0.02 1.36 -1.08 -1.01 -0.60 116.67 123.91 3cys s ASP 9 Ca 0.04 0.57 0.02 0.00 -0.52 0.00 0.00 52.55 52.66 3cys s ASP 9 Cb -0.13 -2.23 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 3cys s ASP 9 CO -0.05 -0.01 -0.04 -0.63 0.52 0.00 0.00 175.17 174.96 3cys s ILE 10 N 0.95 3.89 -0.07 4.11 -1.09 -1.09 -1.84 121.20 126.07 3cys s ILE 10 Ca 0.20 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3cys s ILE 10 Cb -0.14 -2.69 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 3cys s ILE 10 CO 0.07 0.43 -0.01 0.00 -1.23 0.00 0.00 174.94 174.21 3cys s ALA 11 N -0.99 0.76 -0.86 9.38 0.00 0.72 -2.35 121.76 128.42 3cys s ALA 11 Ca 0.17 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 3cys s ALA 11 Cb -0.11 -0.74 0.14 0.00 0.00 0.00 0.00 23.12 22.41 3cys s ALA 11 CO 0.07 -0.42 1.01 0.08 0.00 0.00 0.00 175.76 176.49 3cys s VAL 12 N 1.87 4.89 -0.22 0.00 1.01 0.14 -0.58 120.40 127.51 3cys s VAL 12 Ca 0.04 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 3cys s VAL 12 Cb -0.12 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.58 3cys s VAL 12 CO -0.05 -1.37 0.12 0.47 0.00 0.00 0.00 175.10 174.26 3cys n ASP 13 N 6.09 -7.30 -4.23 3.32 9.92 -0.88 -3.24 116.55 120.23 3cys n ASP 13 Ca 0.17 0.84 -0.33 0.00 -0.53 0.00 0.00 54.79 54.94 3cys n ASP 13 Cb 0.48 -3.69 -0.05 0.00 -0.64 0.00 0.00 41.12 37.21 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 0.74 -0.30 2.96 0.44 0.00 -1.26 -4.91 105.19 102.87 3cys n GLY 14 Ca 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -7.00 0.50 -0.36 1.61 2.12 -1.20 -5.12 118.70 109.25 3cys s GLU 15 Ca 0.37 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 3cys s GLU 15 Cb -0.21 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 33.96 3cys s GLU 15 CO 0.95 -1.07 1.38 -1.25 -0.54 0.00 0.00 175.26 174.73 3cys s PRO 16 N 2.40 3.72 0.02 4.30 0.04 -1.26 0.24 135.00 144.45 3cys s PRO 16 Ca 0.11 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 3cys s PRO 16 Cb -0.11 -3.97 -0.17 0.00 0.04 0.00 0.00 34.50 30.28 3cys s PRO 16 CO -0.24 -1.38 1.24 -0.07 0.04 0.00 0.00 177.00 176.59 3cys h LEU 17 N 11.66 0.40 0.00 -3.56 -0.00 -1.85 -3.49 115.31 118.48 3cys h LEU 17 Ca -0.27 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 3cys h LEU 17 Cb 1.10 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 3cys h LEU 17 CO 1.06 0.92 0.00 0.61 -0.00 0.00 0.00 178.44 181.03 3cys n GLY 18 N 0.53 -2.04 3.58 0.83 0.00 -1.25 -5.00 105.19 101.84 3cys n GLY 18 Ca -0.07 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.96 3.88 0.16 1.61 3.52 -1.26 -2.66 118.95 122.24 3cys s ARG 19 Ca 0.00 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 3cys s ARG 19 Cb 0.00 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3cys s ARG 19 CO 0.00 0.19 0.27 0.08 -0.81 0.00 0.00 175.30 175.03 3cys s VAL 20 N 0.60 5.23 -0.02 7.11 1.01 0.23 -4.73 120.40 129.83 3cys s VAL 20 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3cys s VAL 20 Cb -0.13 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3cys s VAL 20 CO 0.01 -0.11 -0.21 -0.44 0.00 0.00 0.00 175.10 174.35 3cys s SER 21 N -3.29 2.46 -0.04 3.32 0.01 -1.20 -0.34 113.70 114.62 3cys s SER 21 Ca 0.34 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.23 3cys s SER 21 Cb -0.11 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.79 3cys s SER 21 CO 0.28 0.25 -0.06 -0.36 0.41 0.00 0.00 173.24 173.75 3cys s PHE 22 N -0.41 0.83 0.27 2.43 0.08 -0.31 -2.90 117.98 117.96 3cys s PHE 22 Ca 0.06 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.80 3cys s PHE 22 Cb -0.09 -0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 41.62 3cys s PHE 22 CO -0.00 -0.17 0.56 -1.21 -0.10 0.00 0.00 175.22 174.30 3cys s GLU 23 N 0.69 3.72 -0.21 0.44 2.02 0.11 -2.31 118.70 123.16 3cys s GLU 23 Ca -0.10 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.01 3cys s GLU 23 Cb -0.13 -2.63 0.07 0.00 0.10 0.00 0.00 34.13 31.54 3cys s GLU 23 CO 0.01 0.25 0.10 -0.51 0.02 0.00 0.00 175.26 175.12 3cys s LEU 24 N -3.22 0.45 -1.13 1.80 1.43 -1.25 -1.57 118.68 115.19 3cys s LEU 24 Ca 0.46 -0.84 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3cys s LEU 24 Cb -0.11 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 3cys s LEU 24 CO 0.26 -0.38 1.95 -0.36 0.23 0.00 0.00 176.35 178.05 3cys s PHE 25 N 2.11 1.88 -0.28 0.29 0.08 -1.26 -4.51 117.98 116.29 3cys s PHE 25 Ca 0.04 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 57.64 3cys s PHE 25 Cb -0.16 -3.97 -0.12 0.00 -0.57 0.00 0.00 43.02 38.20 3cys s PHE 25 CO -0.18 -1.27 3.23 0.00 -0.10 0.00 0.00 175.22 176.90 3cys n ALA 26 N 14.64 6.47 -0.04 5.36 0.00 -1.26 -3.62 120.51 142.05 3cys n ALA 26 Ca 0.44 -2.45 -0.10 0.00 0.00 0.00 0.00 53.44 51.33 3cys n ALA 26 Cb 0.47 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 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 1.87 0.73 -0.05 0.00 2.03 -1.26 -4.69 116.55 115.18 3cys n ASP 27 Ca 0.47 0.12 0.02 0.00 0.52 0.00 0.00 54.79 55.93 3cys n ASP 27 Cb 0.73 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 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 -3.46 4.16 -3.19 -0.67 2.85 -1.25 -4.71 118.16 111.90 3cys n LYS 28 Ca -0.18 -0.18 -0.21 0.00 -1.05 0.00 0.00 58.31 56.69 3cys n LYS 28 Cb 0.60 -0.82 -0.05 0.00 -0.65 0.00 0.00 35.03 34.11 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 -0.81 -0.10 0.01 0.58 0.24 -1.24 -4.94 118.33 112.06 3cys n VAL 29 Ca 0.01 -4.42 -0.19 0.00 -2.04 0.00 0.00 64.34 57.70 3cys n VAL 29 Cb 0.09 -1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 31.23 3cys n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3cys h PRO 30 N 3.48 0.69 0.08 7.34 0.13 -1.83 -2.16 132.00 139.73 3cys h PRO 30 Ca 0.09 -0.67 0.02 0.00 -0.87 0.00 0.00 66.00 64.57 3cys h PRO 30 Cb 0.89 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3cys h PRO 30 CO 0.52 1.27 -0.20 0.87 -0.23 0.00 0.00 178.00 180.22 3cys h LYS 31 N 0.37 -0.36 -0.25 0.86 1.79 -1.97 -0.34 116.57 116.66 3cys h LYS 31 Ca -0.10 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 3cys h LYS 31 Cb 1.54 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.26 3cys h LYS 31 CO 0.18 -0.24 -0.20 1.15 -1.08 0.00 0.00 179.45 179.26 3cys h THR 32 N -0.37 1.31 0.14 -0.16 2.02 -1.98 -2.20 112.91 111.66 3cys h THR 32 Ca 0.04 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 65.89 3cys h THR 32 Cb 0.41 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3cys h THR 32 CO -0.14 0.42 -0.30 0.00 0.37 0.00 0.00 175.52 175.87 3cys h ALA 33 N 0.70 -0.52 0.07 6.16 0.00 -1.03 -0.90 119.26 123.72 3cys h ALA 33 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cys h ALA 33 Cb 0.74 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cys h ALA 33 CO 0.05 -0.85 -0.03 1.49 0.00 0.00 0.00 179.25 179.91 3cys h GLU 34 N -0.53 -0.09 -0.78 0.00 4.81 -1.13 0.29 114.58 117.15 3cys h GLU 34 Ca 0.03 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.45 3cys h GLU 34 Cb 0.55 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.82 3cys h GLU 34 CO -0.17 0.24 0.09 -0.97 -0.73 0.00 0.00 179.01 177.47 3cys h ASN 35 N -0.42 -0.21 0.23 1.04 -1.24 -1.23 0.82 115.58 114.57 3cys h ASN 35 Ca -0.01 0.19 -0.30 0.00 0.71 0.00 0.00 56.30 56.88 3cys h ASN 35 Cb 0.37 0.30 0.03 0.00 0.73 0.00 0.00 38.32 39.75 3cys h ASN 35 CO 0.02 -0.15 -1.34 -0.26 -1.29 0.00 0.00 177.43 174.40 3cys h PHE 36 N 0.15 0.87 -0.18 0.67 -1.00 -1.02 -3.23 116.94 113.21 3cys h PHE 36 Ca 0.44 -0.63 0.05 0.00 2.81 0.00 0.00 57.97 60.64 3cys h PHE 36 Cb 0.81 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 3cys h PHE 36 CO -0.36 1.52 0.14 -0.09 -1.61 0.00 0.00 178.31 177.90 3cys h ARG 37 N 0.02 0.00 -0.10 1.51 2.43 0.56 -0.45 114.38 118.34 3cys h ARG 37 Ca -0.24 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3cys h ARG 37 Cb 2.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.59 3cys h ARG 37 CO 0.24 0.00 0.09 0.00 -1.51 0.00 0.00 179.97 178.79 3cys h ALA 38 N 1.89 1.90 -0.75 2.80 0.00 -0.89 -0.37 119.26 123.83 3cys h ALA 38 Ca 0.08 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3cys h ALA 38 Cb 0.36 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3cys h ALA 38 CO -0.00 -0.14 0.49 -0.07 0.00 0.00 0.00 179.25 179.53 3cys h LEU 39 N 0.00 0.59 -0.62 0.00 3.38 -1.24 0.96 115.31 118.38 3cys h LEU 39 Ca 0.05 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3cys h LEU 39 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3cys h LEU 39 CO -0.00 0.35 -0.45 -1.28 0.09 0.00 0.00 178.44 177.15 3cys h SER 40 N 0.66 0.60 -0.99 -0.43 0.87 -1.23 -3.20 113.55 109.83 3cys h SER 40 Ca 0.35 -0.28 -0.60 0.00 -1.23 0.00 0.00 61.79 60.02 3cys h SER 40 Cb 0.47 -0.17 -0.39 0.00 -0.44 0.00 0.00 62.40 61.88 3cys h SER 40 CO -0.13 0.97 -0.28 1.07 -0.53 0.00 0.00 176.83 177.93 3cys n THR 41 N -4.00 2.84 -1.25 2.23 5.66 0.07 -3.00 114.28 116.83 3cys n THR 41 Ca -0.02 -4.01 -0.35 0.00 -3.05 0.00 0.00 64.05 56.61 3cys n THR 41 Cb 0.55 -1.17 -0.05 0.00 -1.55 0.00 0.00 70.33 68.11 3cys n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cys n GLY 42 N -0.72 4.05 3.42 1.09 0.00 0.11 -4.73 105.19 108.42 3cys n GLY 42 Ca 0.48 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 3cys n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cys s GLU 43 N 2.04 4.13 0.00 1.61 0.41 -1.26 -4.17 118.70 121.46 3cys s GLU 43 Ca 0.69 -2.79 0.00 0.00 -0.41 0.00 0.00 54.97 52.46 3cys s GLU 43 Cb 0.20 -4.90 0.00 0.00 -1.78 0.00 0.00 34.13 27.65 3cys s GLU 43 CO -0.05 -1.60 0.00 0.36 -0.49 0.00 0.00 175.26 173.48 3cys n LYS 44 N 4.69 0.00 0.00 1.61 2.85 -1.26 -5.04 118.16 121.01 3cys n LYS 44 Ca 0.33 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 3cys n LYS 44 Cb 0.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cys n GLY 45 N -1.17 0.65 0.00 2.58 0.00 -1.26 -5.15 105.19 100.84 3cys n GLY 45 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.55 0.00 1.61 -1.74 -1.26 -5.13 117.46 110.39 3cys n PHE 46 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3cys n PHE 46 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 3cys n PHE 46 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 47 N 5.00 3.45 0.01 4.97 0.00 -1.26 -4.41 105.19 112.95 3cys n GLY 47 Ca 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 3cys n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3cys h TYR 48 N 0.00 -0.03 -6.44 1.61 0.05 -1.94 -3.47 116.97 106.75 3cys h TYR 48 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 3cys h TYR 48 Cb 0.00 0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.76 3cys h TYR 48 CO 0.00 -0.01 -1.06 1.17 -1.05 0.00 0.00 178.16 177.20 3cys n LYS 49 N -2.48 -1.84 0.00 4.88 4.81 -1.26 -3.22 118.16 119.05 3cys n LYS 49 Ca -0.00 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.75 3cys n LYS 49 Cb 0.01 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.44 3cys n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cys n GLY 50 N -0.68 3.21 5.13 3.14 0.00 -1.26 -5.01 105.19 109.72 3cys n GLY 50 Ca -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3cys n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cys n SER 51 N 0.27 0.00 0.00 1.61 2.88 -1.20 -0.44 113.62 116.74 3cys n SER 51 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cys n SER 51 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cys n PHE 53 N 0.00 -2.54 -0.03 0.00 3.72 -1.26 -4.50 117.46 112.85 3cys n PHE 53 Ca 0.00 1.40 -0.02 0.00 -0.05 0.00 0.00 57.45 58.78 3cys n PHE 53 Cb 0.00 -2.31 -0.01 0.00 -0.94 0.00 0.00 39.48 36.22 3cys n PHE 53 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3cys n HIS 54 N -3.56 0.33 -3.79 1.38 8.25 -0.69 -4.95 115.22 112.20 3cys n HIS 54 Ca -0.06 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 3cys n HIS 54 Cb 0.45 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 3cys n HIS 54 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3cys s ARG 55 N -1.48 0.67 0.06 -0.41 1.70 -1.10 -4.91 118.95 113.47 3cys s ARG 55 Ca -0.06 -0.33 0.06 0.00 -0.47 0.00 0.00 55.73 54.92 3cys s ARG 55 Cb 0.01 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 3cys s ARG 55 CO 0.09 -0.19 -0.16 0.42 -1.08 0.00 0.00 175.30 174.38 3cys s ILE 56 N -1.71 1.23 -0.01 4.99 1.01 -1.26 -2.29 121.20 123.17 3cys s ILE 56 Ca -0.11 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.35 3cys s ILE 56 Cb -0.04 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 3cys s ILE 56 CO 0.02 -0.08 -0.08 -0.63 0.00 0.00 0.00 174.94 174.16 3cys s ILE 57 N -1.06 0.64 -0.50 2.92 1.01 -1.19 -2.33 121.20 120.69 3cys s ILE 57 Ca 0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 3cys s ILE 57 Cb -0.09 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.85 3cys s ILE 57 CO 0.02 0.18 1.46 -2.16 0.00 0.00 0.00 174.94 174.44 3cys s PRO 58 N -0.20 3.37 0.00 2.79 0.04 -1.25 -3.51 135.00 136.24 3cys s PRO 58 Ca 0.03 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.77 3cys s PRO 58 Cb -0.03 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.40 3cys s PRO 58 CO -0.00 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.61 3cys n GLY 59 N 5.22 0.65 2.06 0.56 0.00 -1.26 -4.98 105.19 107.45 3cys n GLY 59 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.75 -2.55 -3.67 1.61 7.35 -1.23 -4.99 117.46 113.22 3cys n PHE 60 Ca 0.00 0.51 -0.02 0.00 -0.76 0.00 0.00 57.45 57.18 3cys n PHE 60 Cb 0.24 1.46 -0.01 0.00 0.35 0.00 0.00 39.48 41.52 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 -1.41 0.78 -0.31 -4.13 0.23 -1.25 -3.61 119.30 109.60 3cys s MET 61 Ca 0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 55.69 54.26 3cys s MET 61 Cb 0.00 0.28 0.09 0.00 -1.53 0.00 0.00 34.83 33.67 3cys s MET 61 CO 0.00 -0.36 0.04 0.00 -2.03 0.00 0.00 175.02 172.67 3cys s GLN 63 N 1.14 4.22 0.13 0.00 2.00 -0.97 -4.10 119.66 122.07 3cys s GLN 63 Ca 0.07 0.66 -0.23 0.00 -2.00 0.00 0.00 55.36 53.86 3cys s GLN 63 Cb -0.19 -3.58 0.07 0.00 0.80 0.00 0.00 33.01 30.11 3cys s GLN 63 CO -0.12 -0.25 0.59 0.20 -0.50 0.00 0.00 175.29 175.21 3cys s GLY 64 N 1.20 -0.57 0.00 2.59 0.00 -1.23 -1.70 107.32 107.60 3cys s GLY 64 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3cys s GLY 64 CO 0.10 0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.02 3cys n GLY 65 N -0.19 0.44 3.64 0.20 0.00 -1.26 -0.64 105.19 107.38 3cys n GLY 65 Ca -0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3cys n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cys s ASP 66 N 0.00 -0.64 -0.05 1.61 -1.08 -1.26 -2.71 116.67 112.54 3cys s ASP 66 Ca 0.00 1.02 0.07 0.00 -0.52 0.00 0.00 52.55 53.12 3cys s ASP 66 Cb 0.00 1.29 0.11 0.00 -1.46 0.00 0.00 42.92 42.86 3cys s ASP 66 CO 0.00 -0.16 1.03 0.33 0.52 0.00 0.00 175.17 176.89 3cys n PHE 67 N 3.93 0.00 0.00 -5.34 7.35 -0.94 -4.79 117.46 117.67 3cys n PHE 67 Ca -0.19 -0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.11 3cys n PHE 67 Cb 0.58 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.32 3cys n PHE 67 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3cys n THR 68 N -0.57 0.00 0.22 -2.13 -2.24 -1.23 -4.97 114.28 103.37 3cys n THR 68 Ca 0.06 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 3cys n THR 68 Cb 0.65 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.39 3cys n THR 68 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3cys h ARG 69 N 0.00 0.00 -5.95 -0.78 3.08 -1.90 -3.46 114.38 105.37 3cys h ARG 69 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 3cys h ARG 69 Cb 0.00 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.14 3cys h ARG 69 CO 0.00 0.25 -0.81 0.72 -1.07 0.00 0.00 179.97 179.06 3cys n HIS 70 N -3.63 -2.01 -0.71 3.04 8.25 -1.26 -4.89 115.22 114.00 3cys n HIS 70 Ca -0.01 0.87 0.04 0.00 -0.26 0.00 0.00 57.72 58.36 3cys n HIS 70 Cb 0.38 -4.62 0.05 0.00 1.12 0.00 0.00 29.99 26.92 3cys n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cys n ASN 71 N -3.08 1.66 0.00 0.41 6.94 -1.26 -4.94 115.26 114.99 3cys n ASN 71 Ca -0.29 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 3cys n ASN 71 Cb 0.67 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cys n GLY 72 N -0.71 0.73 0.00 4.83 0.00 -1.26 -4.87 105.19 103.90 3cys n GLY 72 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3cys n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cys n THR 73 N -1.45 0.00 -3.26 2.61 -2.24 -1.26 -4.83 114.28 103.84 3cys n THR 73 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3cys n THR 73 Cb 0.00 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cys n GLY 74 N 1.83 -0.43 0.00 3.38 0.00 -1.26 -4.17 105.19 104.53 3cys n GLY 74 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 -0.14 -1.18 0.92 -0.02 0.00 -1.26 -2.22 105.19 101.29 3cys n GLY 75 Ca -0.01 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 3cys n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 76 N -1.32 0.01 0.00 1.61 4.81 -0.62 -4.49 118.16 118.16 3cys n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3cys n LYS 76 Cb 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 34.94 3cys n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3cys n SER 77 N -2.62 0.00 -0.02 3.14 2.88 -0.99 -3.51 113.62 112.49 3cys n SER 77 Ca -0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3cys n SER 77 Cb 0.01 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 -0.95 2.46 -5.35 -1.26 -3.94 119.36 110.32 3cys n ILE 78 Ca 0.00 -0.01 0.05 0.00 -0.27 0.00 0.00 62.75 62.52 3cys n ILE 78 Cb 0.00 0.27 0.07 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.44 0.00 0.00 4.28 4.01 -1.26 -5.09 117.16 117.66 3cys n TYR 79 Ca 0.06 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 3cys n TYR 79 Cb 0.34 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.87 0.27 0.00 2.72 0.00 -1.25 -4.73 105.19 101.33 3cys n GLY 80 Ca 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.39 -3.59 1.61 2.13 -1.26 -1.58 120.64 117.55 3cys n GLU 81 Ca 0.00 -0.37 0.01 0.00 0.66 0.00 0.00 57.16 57.47 3cys n GLU 81 Cb 0.00 -0.80 -0.01 0.00 0.27 0.00 0.00 31.44 30.90 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 -0.05 0.07 0.08 5.31 -2.85 -1.26 -4.07 119.74 116.96 3cys s LYS 82 Ca 0.00 -0.03 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 3cys s LYS 82 Cb 0.00 0.03 0.09 0.00 -2.06 0.00 0.00 37.83 35.89 3cys s LYS 82 CO 0.00 -0.03 1.15 -0.59 0.10 0.00 0.00 175.35 175.98 3cys s PHE 83 N -2.08 0.00 0.97 1.78 -0.71 -1.24 -5.01 117.98 111.70 3cys s PHE 83 Ca 0.14 -0.24 -0.12 0.00 -1.04 0.00 0.00 56.93 55.66 3cys s PHE 83 Cb 0.04 0.62 0.17 0.00 -1.21 0.00 0.00 43.02 42.64 3cys s PHE 83 CO -0.05 -0.58 1.10 -1.83 -1.34 0.00 0.00 175.22 172.53 3cys s GLU 84 N -2.36 0.64 0.31 1.99 -1.05 -1.26 -3.81 118.70 113.15 3cys s GLU 84 Ca 0.20 0.48 0.06 0.00 -0.15 0.00 0.00 54.97 55.57 3cys s GLU 84 Cb -0.00 -1.76 -0.02 0.00 -0.44 0.00 0.00 34.13 31.91 3cys s GLU 84 CO 0.01 -2.58 0.40 -0.51 0.95 0.00 0.00 175.26 173.53 3cys s ASP 85 N -3.59 5.93 -0.19 0.83 1.01 -1.26 -4.93 116.67 114.47 3cys s ASP 85 Ca 0.65 -0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.60 3cys s ASP 85 Cb -0.18 -1.35 -0.21 0.00 1.01 0.00 0.00 42.92 42.19 3cys s ASP 85 CO 0.57 -0.31 0.16 -0.62 0.21 0.00 0.00 175.17 175.17 3cys n GLU 86 N -1.52 0.65 0.00 8.23 1.02 -1.26 -5.08 120.64 122.68 3cys n GLU 86 Ca -0.03 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3cys n GLU 86 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cys n ASN 87 N -3.96 0.00 -2.47 1.62 0.23 -1.26 -5.03 115.26 104.39 3cys n ASN 87 Ca -0.36 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.52 3cys n ASN 87 Cb 0.87 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.59 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 -0.40 2.29 0.18 -2.53 3.01 -1.26 -4.81 117.46 113.95 3cys n PHE 88 Ca 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 57.45 55.88 3cys n PHE 88 Cb 0.00 -0.25 0.34 0.00 -0.01 0.00 0.00 39.48 39.56 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3cys h ILE 89 N 3.18 1.28 -4.01 4.37 2.04 -1.96 -3.44 117.51 118.98 3cys h ILE 89 Ca 0.14 -1.35 -0.45 0.00 1.00 0.00 0.00 64.86 64.20 3cys h ILE 89 Cb 1.22 1.72 0.15 0.00 -0.74 0.00 0.00 36.82 39.17 3cys h ILE 89 CO 0.61 0.39 0.41 -0.76 0.00 0.00 0.00 178.15 178.79 3cys s LEU 90 N -8.15 2.70 0.00 1.44 2.01 -1.26 -5.10 118.68 110.32 3cys s LEU 90 Ca -0.03 0.30 0.05 0.00 0.01 0.00 0.00 54.13 54.47 3cys s LEU 90 Cb 0.14 -2.42 -0.02 0.00 0.01 0.00 0.00 46.19 43.91 3cys s LEU 90 CO 0.73 -2.58 0.29 0.29 1.01 0.00 0.00 176.35 176.08 3cys n LYS 91 N -3.66 0.42 -3.69 1.70 5.02 -1.26 -4.87 118.16 111.81 3cys n LYS 91 Ca 0.14 -2.87 -0.38 0.00 -2.02 0.00 0.00 58.31 53.19 3cys n LYS 91 Cb 0.60 2.43 -0.09 0.00 -0.02 0.00 0.00 35.03 37.94 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 -3.19 3.48 0.10 2.13 3.76 -1.26 -4.88 115.29 115.44 3cys s HIS 92 Ca 0.34 -2.48 -0.16 0.00 -0.15 0.00 0.00 55.06 52.60 3cys s HIS 92 Cb 0.01 -3.29 -0.06 0.00 1.11 0.00 0.00 32.58 30.36 3cys s HIS 92 CO 0.24 -0.91 1.52 1.79 -0.85 0.00 0.00 174.74 176.54 3cys h THR 93 N 5.64 1.27 0.00 1.30 1.35 -1.98 -3.43 112.91 117.06 3cys h THR 93 Ca -0.06 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3cys h THR 93 Cb 1.00 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3cys h THR 93 CO 0.73 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.95 3cys n GLY 94 N -0.26 -0.58 3.71 5.82 0.00 -1.26 -4.93 105.19 107.69 3cys n GLY 94 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.44 4.42 0.00 1.61 0.04 -1.25 -3.94 135.00 135.45 3cys s PRO 95 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3cys s PRO 95 Cb 0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3cys s PRO 95 CO 0.00 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.15 3cys n GLY 96 N 3.24 1.34 3.20 0.56 0.00 0.49 -4.88 105.19 109.13 3cys n GLY 96 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3cys n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cys s ILE 97 N -2.00 1.87 -0.62 -0.61 1.10 -1.24 -1.21 121.20 118.50 3cys s ILE 97 Ca 0.00 -0.93 -0.20 0.00 -0.51 0.00 0.00 60.65 59.00 3cys s ILE 97 Cb 0.00 -1.62 0.09 0.00 0.15 0.00 0.00 42.46 41.08 3cys s ILE 97 CO 0.00 0.52 0.81 -0.22 -2.11 0.00 0.00 174.94 173.94 3cys s LEU 98 N 0.21 4.98 0.40 8.50 0.20 -0.99 -1.11 118.68 130.87 3cys s LEU 98 Ca -0.13 -1.25 0.08 0.00 0.69 0.00 0.00 54.13 53.52 3cys s LEU 98 Cb -0.16 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 3cys s LEU 98 CO 0.06 -1.24 0.39 -0.55 -0.29 0.00 0.00 176.35 174.72 3cys s SER 99 N 3.63 5.22 -0.09 3.68 0.15 0.92 -3.27 113.70 123.94 3cys s SER 99 Ca 0.16 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 3cys s SER 99 Cb -0.21 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3cys s SER 99 CO 0.08 -0.60 0.04 -0.04 1.20 0.00 0.00 173.24 173.92 3cys s MET 100 N -4.13 3.09 0.00 5.44 1.00 0.17 0.33 119.30 125.19 3cys s MET 100 Ca 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 55.69 55.82 3cys s MET 100 Cb -0.05 -2.89 0.00 0.00 0.00 0.00 0.00 34.83 31.89 3cys s MET 100 CO 0.28 0.72 0.00 0.00 0.00 0.00 0.00 175.02 176.02 3cys n ALA 101 N 2.03 0.00 0.00 3.03 0.00 -1.21 -4.06 120.51 120.30 3cys n ALA 101 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3cys n ALA 101 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3cys n ALA 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3cys n ASN 102 N 0.00 0.00 -0.32 0.00 4.05 -1.26 -4.90 115.26 112.83 3cys n ASN 102 Ca 0.00 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.10 3cys n ASN 102 Cb 0.00 0.00 0.13 0.00 1.23 0.00 0.00 39.78 41.14 3cys n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cys n ALA 103 N 1.36 2.50 -3.62 5.20 0.00 -1.26 -5.04 120.51 119.65 3cys n ALA 103 Ca 0.00 -2.49 0.03 0.00 0.00 0.00 0.00 53.44 50.98 3cys n ALA 103 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3cys n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3cys s GLY 104 N -2.61 -0.44 0.32 0.00 0.00 -1.26 -5.10 107.32 98.23 3cys s GLY 104 Ca 0.28 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.50 3cys s GLY 104 CO -0.00 0.64 1.07 2.56 0.00 0.00 0.00 173.10 177.37 3cys s PRO 105 N -2.20 4.48 -1.45 2.90 0.04 -1.26 -3.74 135.00 133.77 3cys s PRO 105 Ca 0.16 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 3cys s PRO 105 Cb 0.06 -2.96 0.08 0.00 0.04 0.00 0.00 34.50 31.73 3cys s PRO 105 CO -0.05 0.10 0.70 0.09 0.04 0.00 0.00 177.00 177.88 3cys n ASN 106 N 0.74 -4.22 0.00 6.66 3.02 -1.26 -4.76 115.26 115.45 3cys n ASN 106 Ca 0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3cys n ASN 106 Cb 0.47 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 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 -4.28 0.07 -3.13 3.41 -1.04 -1.24 -3.83 114.28 104.24 3cys n THR 107 Ca 0.01 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.05 61.29 3cys n THR 107 Cb 0.53 1.28 -0.06 0.00 -1.82 0.00 0.00 70.33 70.27 3cys n THR 107 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3cys s ASN 108 N -0.07 7.15 -0.30 8.00 3.84 -1.26 -4.83 114.94 127.47 3cys s ASN 108 Ca 0.00 1.43 -0.08 0.00 0.21 0.00 0.00 52.86 54.41 3cys s ASN 108 Cb 0.00 -2.42 0.17 0.00 -0.55 0.00 0.00 41.25 38.45 3cys s ASN 108 CO 0.00 0.16 0.77 -0.83 -2.79 0.00 0.00 177.10 174.41 3cys s GLY 109 N -1.35 -0.65 0.00 1.21 0.00 -1.26 -3.64 107.32 101.63 3cys s GLY 109 Ca 0.37 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.47 3cys s GLY 109 CO 0.22 3.35 0.00 -1.26 0.00 0.00 0.00 173.10 175.41 3cys n SER 110 N 5.35 0.00 -4.53 1.64 2.88 -1.23 -4.39 113.62 113.34 3cys n SER 110 Ca -0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.12 3cys n SER 110 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.66 -3.03 -1.46 10.64 -1.10 -4.41 117.38 118.68 3cys n GLN 111 Ca 0.00 -0.06 -0.19 0.00 -1.83 0.00 0.00 57.00 54.92 3cys n GLN 111 Cb 0.00 -2.80 0.04 0.00 -0.86 0.00 0.00 30.24 26.63 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 3cys s PHE 112 N 11.07 1.87 -0.28 2.61 -0.12 0.19 -3.30 117.98 130.01 3cys s PHE 112 Ca 1.10 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 57.39 3cys s PHE 112 Cb -0.52 -2.26 0.16 0.00 -0.63 0.00 0.00 43.02 39.77 3cys s PHE 112 CO 0.33 -0.91 0.44 0.12 -0.05 0.00 0.00 175.22 175.15 3cys s PHE 113 N -2.56 -1.14 0.08 3.49 5.36 0.15 -3.57 117.98 119.78 3cys s PHE 113 Ca 0.60 0.55 -0.18 0.00 -0.96 0.00 0.00 56.93 56.94 3cys s PHE 113 Cb -0.07 -0.04 -0.07 0.00 -0.34 0.00 0.00 43.02 42.51 3cys s PHE 113 CO 0.37 -0.97 0.54 0.42 -1.46 0.00 0.00 175.22 174.13 3cys s ILE 114 N 2.60 4.80 -0.13 3.12 1.01 -1.26 -0.06 121.20 131.29 3cys s ILE 114 Ca 0.11 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.74 3cys s ILE 114 Cb -0.12 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 3cys s ILE 114 CO -0.28 0.49 0.21 0.00 0.00 0.00 0.00 174.94 175.37 3cys n THR 116 N 2.59 1.58 -3.77 0.00 -2.24 -1.24 -0.38 114.28 110.82 3cys n THR 116 Ca -0.17 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 3cys n THR 116 Cb 0.53 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cys s ALA 117 N -2.02 -2.10 -0.14 6.98 0.00 -1.26 -4.71 121.76 118.51 3cys s ALA 117 Ca 0.24 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 3cys s ALA 117 Cb 0.19 0.59 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 3cys s ALA 117 CO 0.06 -1.08 2.04 0.21 0.00 0.00 0.00 175.76 176.99 3cys s LYS 118 N -2.42 3.56 -0.40 0.00 2.47 -1.26 -3.83 119.74 117.86 3cys s LYS 118 Ca 0.19 2.15 0.12 0.00 -1.56 0.00 0.00 55.97 56.87 3cys s LYS 118 Cb 0.02 -4.25 0.40 0.00 -1.46 0.00 0.00 37.83 32.53 3cys s LYS 118 CO -0.01 -1.61 0.90 0.25 0.16 0.00 0.00 175.35 175.04 3cys n THR 119 N 6.84 1.19 1.05 3.43 -2.24 -1.26 -4.88 114.28 118.41 3cys n THR 119 Ca 0.25 -4.29 0.09 0.00 -2.27 0.00 0.00 64.05 57.82 3cys n THR 119 Cb 0.44 -0.30 0.29 0.00 -2.10 0.00 0.00 70.33 68.66 3cys n THR 119 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3cys n GLU 120 N -0.05 1.79 0.03 -0.78 0.28 -1.26 -2.45 120.64 118.20 3cys n GLU 120 Ca 0.23 -1.21 0.12 0.00 -0.16 0.00 0.00 57.16 56.14 3cys n GLU 120 Cb 0.67 -1.36 0.29 0.00 1.43 0.00 0.00 31.44 32.47 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 0.45 0.28 1.03 -1.84 2.14 -1.26 -3.17 117.44 115.06 3cys n TRP 121 Ca 0.15 0.08 0.11 0.00 2.07 0.00 0.00 57.50 59.91 3cys n TRP 121 Cb 0.33 -0.49 0.01 0.00 -0.81 0.00 0.00 31.31 30.35 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 -1.79 1.45 -4.71 5.67 4.77 -1.03 -4.89 117.00 116.48 3cys n LEU 122 Ca 0.05 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 55.05 3cys n LEU 122 Cb 0.38 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3cys n LEU 122 CO 0.34 0.30 1.15 -0.62 -1.33 0.00 0.00 177.39 177.22 3cys s ASP 123 N -2.70 6.73 0.00 -1.43 -1.08 -1.19 -1.74 116.67 115.25 3cys s ASP 123 Ca 0.15 2.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 3cys s ASP 123 Cb 0.17 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 3cys s ASP 123 CO 0.68 -0.74 0.00 0.61 0.52 0.00 0.00 175.17 176.25 3cys n GLY 124 N 3.64 1.98 0.48 2.66 0.00 -1.26 -4.79 105.19 107.90 3cys n GLY 124 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.87 -3.87 1.61 4.01 -0.71 -5.00 118.16 113.07 3cys n LYS 125 Ca 0.00 -1.18 -0.09 0.00 -0.51 0.00 0.00 58.31 56.53 3cys n LYS 125 Cb 0.00 -1.23 -0.08 0.00 -0.51 0.00 0.00 35.03 33.21 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 -1.10 0.16 0.19 2.13 3.76 -1.07 -5.07 115.29 114.30 3cys s HIS 126 Ca 0.14 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3cys s HIS 126 Cb 0.10 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 3cys s HIS 126 CO 0.17 -0.51 0.39 0.08 -0.85 0.00 0.00 174.74 174.02 3cys s VAL 127 N -3.62 5.20 -0.35 -0.90 1.01 -1.26 -4.88 120.40 115.60 3cys s VAL 127 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3cys s VAL 127 Cb 0.04 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.83 3cys s VAL 127 CO -0.10 -0.14 0.19 -0.69 0.00 0.00 0.00 175.10 174.37 3cys s VAL 128 N -1.83 0.41 -0.50 2.92 1.01 -1.26 0.42 120.40 121.55 3cys s VAL 128 Ca 0.39 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.74 3cys s VAL 128 Cb -0.11 -1.30 0.42 0.00 0.00 0.00 0.00 36.38 35.38 3cys s VAL 128 CO 0.28 -0.90 1.41 0.49 0.00 0.00 0.00 175.10 176.39 3cys n PHE 129 N 4.25 3.14 -3.67 5.22 3.72 -1.22 -4.65 117.46 124.25 3cys n PHE 129 Ca 0.07 -2.73 0.01 0.00 -0.05 0.00 0.00 57.45 54.75 3cys n PHE 129 Cb 0.38 -0.51 -0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3cys n PHE 129 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cys s GLY 130 N -2.90 -0.36 -0.03 1.37 0.00 -1.20 -4.03 107.32 100.16 3cys s GLY 130 Ca 0.51 0.57 -0.26 0.00 0.00 0.00 0.00 44.72 45.55 3cys s GLY 130 CO -0.15 0.76 0.57 1.25 0.00 0.00 0.00 173.10 175.53 3cys s LYS 131 N -2.41 0.96 0.08 2.90 2.20 -0.61 -2.34 119.74 120.52 3cys s LYS 131 Ca 0.16 0.08 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 3cys s LYS 131 Cb 0.04 0.45 -0.07 0.00 -1.51 0.00 0.00 37.83 36.74 3cys s LYS 131 CO -0.03 -0.30 0.52 0.08 -0.36 0.00 0.00 175.35 175.26 3cys s VAL 132 N -1.39 4.86 -0.37 4.02 1.01 -0.35 0.05 120.40 128.23 3cys s VAL 132 Ca -0.11 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3cys s VAL 132 Cb -0.01 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.72 3cys s VAL 132 CO 0.07 0.43 0.23 -0.75 0.00 0.00 0.00 175.10 175.09 3cys s LYS 133 N -1.45 0.68 0.35 2.72 2.20 -1.14 -4.88 119.74 118.20 3cys s LYS 133 Ca 0.31 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 3cys s LYS 133 Cb -0.17 -1.42 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 3cys s LYS 133 CO 0.18 -1.23 0.00 -1.91 -0.36 0.00 0.00 175.35 172.03 3cys n GLU 134 N 3.82 -2.35 -0.51 4.03 2.13 -1.26 -4.43 120.64 122.07 3cys n GLU 134 Ca 0.14 1.83 0.00 0.00 0.66 0.00 0.00 57.16 59.80 3cys n GLU 134 Cb 0.38 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 -2.28 0.75 0.21 8.31 0.00 -1.26 -3.27 105.19 107.65 3cys n GLY 135 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3cys n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cys h MET 136 N 3.33 0.00 0.00 1.61 -0.00 -1.91 -2.35 114.93 115.60 3cys h MET 136 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.66 3cys h MET 136 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 3cys h MET 136 CO 0.00 0.00 -0.18 -2.95 -0.00 0.00 0.00 176.91 173.78 3cys h ASN 137 N 0.00 0.00 0.39 -0.10 -1.07 -1.98 0.25 115.58 113.07 3cys h ASN 137 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 3cys h ASN 137 Cb 0.50 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.75 3cys h ASN 137 CO 0.00 0.18 -0.89 0.40 0.07 0.00 0.00 177.43 177.20 3cys h ILE 138 N 0.00 1.42 -0.27 6.14 5.03 -1.81 -0.13 117.51 127.90 3cys h ILE 138 Ca -0.00 -2.44 -0.13 0.00 -0.12 0.00 0.00 64.86 62.17 3cys h ILE 138 Cb 0.76 2.38 -0.01 0.00 -3.03 0.00 0.00 36.82 36.92 3cys h ILE 138 CO 0.02 0.72 -0.38 0.58 -0.68 0.00 0.00 178.15 178.42 3cys h VAL 139 N 0.21 1.29 -0.08 1.67 2.07 -1.30 -2.50 116.25 117.60 3cys h VAL 139 Ca -0.06 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.79 3cys h VAL 139 Cb 1.51 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3cys h VAL 139 CO 0.15 0.49 -0.55 -0.08 0.02 0.00 0.00 177.57 177.60 3cys h GLU 140 N 0.51 0.23 -0.53 1.57 4.22 -0.47 -2.45 114.58 117.66 3cys h GLU 140 Ca 0.05 -0.14 0.04 0.00 0.08 0.00 0.00 59.36 59.38 3cys h GLU 140 Cb 0.89 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 3cys h GLU 140 CO 0.08 0.72 0.29 0.00 -2.18 0.00 0.00 179.01 177.92 3cys h ALA 141 N 1.25 0.69 -0.73 2.92 0.00 -0.76 0.11 119.26 122.75 3cys h ALA 141 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3cys h ALA 141 Cb 1.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3cys h ALA 141 CO 0.08 -0.03 0.45 0.52 0.00 0.00 0.00 179.25 180.28 3cys h MET 142 N 0.57 0.86 -0.57 0.00 2.86 -1.16 -1.72 114.93 115.78 3cys h MET 142 Ca 0.23 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3cys h MET 142 Cb 0.09 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3cys h MET 142 CO -0.13 0.57 0.34 0.93 1.06 0.00 0.00 176.91 179.67 3cys h GLU 143 N 0.88 0.65 -0.90 1.72 5.08 -0.87 -0.69 114.58 120.45 3cys h GLU 143 Ca 0.29 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 3cys h GLU 143 Cb 0.03 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 3cys h GLU 143 CO -0.12 0.43 0.58 -0.09 -1.00 0.00 0.00 179.01 178.82 3cys h ARG 144 N 0.67 0.86 0.00 2.33 9.65 0.09 0.17 114.38 128.15 3cys h ARG 144 Ca 0.23 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3cys h ARG 144 Cb 0.03 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 3cys h ARG 144 CO -0.10 0.57 -0.27 0.74 2.80 0.00 0.00 179.97 183.71 3cys h PHE 145 N 0.89 0.00 -3.57 2.20 0.04 -0.96 -3.47 116.94 112.07 3cys h PHE 145 Ca 0.42 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.76 3cys h PHE 145 Cb 0.43 0.00 0.18 0.00 2.20 0.00 0.00 35.95 38.76 3cys h PHE 145 CO -0.00 0.00 0.11 0.20 -0.60 0.00 0.00 178.31 178.01 3cys s GLY 146 N -4.12 1.55 0.24 -1.45 0.00 0.58 -3.82 107.32 100.30 3cys s GLY 146 Ca 0.06 -0.41 0.07 0.00 0.00 0.00 0.00 44.72 44.43 3cys s GLY 146 CO 0.69 0.30 -0.10 -1.35 0.00 0.00 0.00 173.10 172.64 3cys s SER 147 N -3.21 2.61 0.57 1.64 1.04 -0.99 -4.60 113.70 110.76 3cys s SER 147 Ca 0.67 -1.10 0.34 0.00 0.48 0.00 0.00 55.95 56.35 3cys s SER 147 Cb -0.19 -0.14 1.61 0.00 0.10 0.00 0.00 66.02 67.39 3cys s SER 147 CO 0.60 -0.26 2.08 0.08 0.98 0.00 0.00 173.24 176.72 3cys h ARG 148 N 2.44 0.00 0.00 4.02 0.11 -1.89 -3.31 114.38 115.75 3cys h ARG 148 Ca -0.39 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.58 3cys h ARG 148 Cb 1.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 3cys h ARG 148 CO 0.64 0.04 -1.12 0.27 0.10 0.00 0.00 179.97 179.91 3cys n ASN 149 N -3.22 1.45 -3.01 0.08 0.23 -1.26 -4.96 115.26 104.57 3cys n ASN 149 Ca -0.01 0.24 -0.15 0.00 -0.53 0.00 0.00 54.58 54.12 3cys n ASN 149 Cb 0.25 -0.55 -0.03 0.00 -2.08 0.00 0.00 39.78 37.37 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 2.14 1.08 1.61 4.83 0.00 -1.25 -4.93 105.19 108.66 3cys n GLY 150 Ca -0.18 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.47 3cys n GLY 150 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cys n LYS 151 N 2.20 -2.56 -0.88 1.61 2.85 -0.98 -4.66 118.16 115.73 3cys n LYS 151 Ca 0.19 1.69 -0.29 0.00 -1.05 0.00 0.00 58.31 58.85 3cys n LYS 151 Cb 0.55 -3.13 0.21 0.00 -0.65 0.00 0.00 35.03 32.01 3cys n LYS 151 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3cys s THR 152 N -2.03 2.10 -0.46 0.58 -4.23 -1.26 -2.35 115.64 108.01 3cys s THR 152 Ca 0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 3cys s THR 152 Cb 0.00 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.85 3cys s THR 152 CO 0.00 -0.04 2.00 -1.20 -0.54 0.00 0.00 174.62 174.83 3cys n SER 153 N -4.48 6.75 0.00 3.99 7.64 -1.25 -4.71 113.62 121.55 3cys n SER 153 Ca 0.05 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.57 3cys n SER 153 Cb 0.56 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3cys n SER 153 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3cys n LYS 154 N -0.23 0.00 -3.64 1.43 0.00 -1.26 -5.18 118.16 109.28 3cys n LYS 154 Ca 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.70 3cys n LYS 154 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.68 3cys n LYS 154 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3cys s LYS 155 N 1.37 0.95 -0.01 -1.58 2.20 -1.26 -5.05 119.74 116.36 3cys s LYS 155 Ca 0.00 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 3cys s LYS 155 Cb 0.00 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 3cys s LYS 155 CO 0.00 -0.43 -0.23 0.42 -0.36 0.00 0.00 175.35 174.76 3cys s ILE 156 N -3.12 1.78 -0.07 5.43 -1.09 -1.26 -2.07 121.20 120.80 3cys s ILE 156 Ca 0.09 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 3cys s ILE 156 Cb -0.01 -1.49 0.03 0.00 -1.58 0.00 0.00 42.46 39.41 3cys s ILE 156 CO -0.03 0.47 0.17 0.42 -1.23 0.00 0.00 174.94 174.74 3cys s THR 157 N -0.57 -0.03 0.35 2.92 -4.23 0.25 -4.39 115.64 109.95 3cys s THR 157 Ca 0.09 0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 3cys s THR 157 Cb -0.09 -0.26 -0.09 0.00 1.34 0.00 0.00 72.50 73.40 3cys s THR 157 CO -0.00 0.04 1.14 -0.63 -0.54 0.00 0.00 174.62 174.62 3cys s ILE 158 N 0.70 3.33 -0.20 2.99 1.01 0.41 -0.20 121.20 129.24 3cys s ILE 158 Ca -0.05 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.62 3cys s ILE 158 Cb -0.07 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.53 3cys s ILE 158 CO -0.04 0.19 0.11 0.00 0.00 0.00 0.00 174.94 175.21 3cys n ALA 159 N 0.57 0.75 -3.54 9.38 0.00 -0.76 -3.98 120.51 122.93 3cys n ALA 159 Ca 0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 3cys n ALA 159 Cb 0.46 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3cys n ALA 159 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3cys s ASP 160 N -6.70 -0.28 0.14 0.00 -4.77 -1.26 -4.81 116.67 98.99 3cys s ASP 160 Ca -0.27 0.01 -0.03 0.00 -3.30 0.00 0.00 52.55 48.96 3cys s ASP 160 Cb 0.06 0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 42.15 3cys s ASP 160 CO 0.52 -0.48 0.11 0.00 0.70 0.00 0.00 175.17 176.03 3cys n GLY 162 N -0.12 -1.11 3.39 0.00 0.00 -1.16 -4.79 105.19 101.39 3cys n GLY 162 Ca -0.06 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 3cys n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cys s GLN 163 N -0.24 2.52 -1.37 1.61 0.74 -1.26 -2.54 119.66 119.11 3cys s GLN 163 Ca 0.00 -0.78 -0.16 0.00 0.05 0.00 0.00 55.36 54.47 3cys s GLN 163 Cb 0.00 -2.29 0.04 0.00 1.10 0.00 0.00 33.01 31.86 3cys s GLN 163 CO 0.00 0.52 2.05 1.28 -0.55 0.00 0.00 175.29 178.59 3cys n LEU 164 N 2.59 6.03 0.00 3.68 4.77 -0.57 -4.96 117.00 128.54 3cys n LEU 164 Ca -0.17 -4.00 0.09 0.00 -0.03 0.00 0.00 56.01 51.90 3cys n LEU 164 Cb 0.52 -1.67 0.53 0.00 -2.33 0.00 0.00 43.42 40.47 3cys n LEU 164 CO 0.25 0.67 0.73 1.21 -1.33 0.00 0.00 177.39 178.92