#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 -2.71 3.17 0.24 -1.26 -4.67 118.33 113.10 3cys n VAL 2 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 3cys n VAL 2 Cb 0.00 -0.10 0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3cys n VAL 2 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3cys n ASN 3 N -2.43 -2.20 -4.79 -1.34 0.23 -1.26 -1.91 115.26 101.55 3cys n ASN 3 Ca 0.00 -2.24 -0.29 0.00 -0.53 0.00 0.00 54.58 51.52 3cys n ASN 3 Cb 0.00 1.23 0.13 0.00 -2.08 0.00 0.00 39.78 39.07 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 3cys s PRO 4 N 0.62 1.16 0.06 -0.53 0.04 -1.26 -4.66 135.00 130.43 3cys s PRO 4 Ca 0.28 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.70 3cys s PRO 4 Cb 0.15 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 3cys s PRO 4 CO -0.13 -2.18 -0.21 0.99 0.04 0.00 0.00 177.00 175.51 3cys s THR 5 N -3.27 1.67 0.07 1.26 2.01 -1.19 -2.21 115.64 113.97 3cys s THR 5 Ca 0.64 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3cys s THR 5 Cb -0.15 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 3cys s THR 5 CO 0.53 0.12 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.83 3cys s VAL 6 N -0.91 0.52 0.09 3.82 1.01 -1.01 -0.04 120.40 123.88 3cys s VAL 6 Ca 0.07 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.56 3cys s VAL 6 Cb -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3cys s VAL 6 CO 0.02 -0.72 -0.21 0.72 0.00 0.00 0.00 175.10 174.92 3cys s PHE 7 N -2.83 1.82 -0.01 5.22 -0.12 -1.26 -0.90 117.98 119.90 3cys s PHE 7 Ca 0.02 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 3cys s PHE 7 Cb -0.00 -1.02 0.01 0.00 -0.63 0.00 0.00 43.02 41.38 3cys s PHE 7 CO -0.04 0.19 -0.02 -0.06 -0.05 0.00 0.00 175.22 175.24 3cys s PHE 8 N -1.08 0.30 -0.23 3.49 0.40 0.38 -3.33 117.98 117.91 3cys s PHE 8 Ca 0.07 -0.04 -0.13 0.00 -0.60 0.00 0.00 56.93 56.23 3cys s PHE 8 Cb -0.10 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 3cys s PHE 8 CO 0.04 -0.05 0.28 0.34 0.70 0.00 0.00 175.22 176.52 3cys s ASP 9 N 0.33 6.26 -0.20 1.36 -1.08 -0.72 -0.66 116.67 121.96 3cys s ASP 9 Ca -0.03 0.29 -0.09 0.00 -0.52 0.00 0.00 52.55 52.21 3cys s ASP 9 Cb -0.06 -2.17 -0.04 0.00 -1.46 0.00 0.00 42.92 39.19 3cys s ASP 9 CO -0.01 -0.02 0.10 -0.63 0.52 0.00 0.00 175.17 175.13 3cys s ILE 10 N 1.27 4.97 -0.25 4.11 1.09 -0.86 -1.45 121.20 130.09 3cys s ILE 10 Ca 0.13 0.04 -0.04 0.00 -1.10 0.00 0.00 60.65 59.68 3cys s ILE 10 Cb -0.14 -3.27 0.01 0.00 -1.06 0.00 0.00 42.46 37.99 3cys s ILE 10 CO 0.07 0.42 -0.01 0.00 -0.10 0.00 0.00 174.94 175.31 3cys s ALA 11 N 0.64 2.85 -0.63 9.38 0.00 0.15 -0.62 121.76 133.53 3cys s ALA 11 Ca 0.05 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 3cys s ALA 11 Cb -0.13 -1.82 0.14 0.00 0.00 0.00 0.00 23.12 21.32 3cys s ALA 11 CO 0.01 -0.69 0.62 0.08 0.00 0.00 0.00 175.76 175.78 3cys s VAL 12 N 1.43 5.21 -0.40 0.00 1.01 0.27 -1.59 120.40 126.32 3cys s VAL 12 Ca 0.03 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.21 3cys s VAL 12 Cb -0.16 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.83 3cys s VAL 12 CO -0.02 -0.98 0.52 0.47 0.00 0.00 0.00 175.10 175.09 3cys n ASP 13 N 5.23 -7.46 -4.30 3.32 9.92 -1.17 -3.04 116.55 119.04 3cys n ASP 13 Ca -0.05 0.51 -0.38 0.00 -0.53 0.00 0.00 54.79 54.34 3cys n ASP 13 Cb 0.42 -4.56 -0.04 0.00 -0.64 0.00 0.00 41.12 36.31 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 -0.10 -0.44 3.39 0.44 0.00 -1.26 -4.90 105.19 102.31 3cys n GLY 14 Ca 0.06 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.41 -0.36 1.61 2.56 -1.17 -5.12 118.70 109.62 3cys s GLU 15 Ca 0.77 1.16 -0.29 0.00 0.00 0.00 0.00 54.97 56.61 3cys s GLU 15 Cb -0.43 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.18 3cys s GLU 15 CO 0.95 -0.23 1.38 -1.25 -0.56 0.00 0.00 175.26 175.55 3cys s PRO 16 N 2.63 3.70 0.06 4.30 0.04 -1.26 0.95 135.00 145.43 3cys s PRO 16 Ca -0.03 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 3cys s PRO 16 Cb -0.12 -3.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.30 3cys s PRO 16 CO -0.15 -1.40 1.29 1.25 0.04 0.00 0.00 177.00 178.04 3cys h LEU 17 N 11.71 0.66 0.00 -3.56 5.85 -1.23 -3.48 115.31 125.27 3cys h LEU 17 Ca -0.27 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.86 3cys h LEU 17 Cb 1.11 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3cys h LEU 17 CO 1.06 1.13 0.00 0.61 -0.34 0.00 0.00 178.44 180.90 3cys n GLY 18 N 0.53 -2.30 3.25 3.75 0.00 -1.24 -5.04 105.19 104.14 3cys n GLY 18 Ca -0.07 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.91 3.24 -0.15 1.61 0.52 -1.26 -2.03 118.95 118.98 3cys s ARG 19 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 3cys s ARG 19 Cb 0.00 -2.80 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 3cys s ARG 19 CO 0.00 -0.14 0.22 0.08 0.02 0.00 0.00 175.30 175.48 3cys s VAL 20 N 1.25 5.35 0.04 3.52 1.01 0.16 -4.62 120.40 127.11 3cys s VAL 20 Ca 0.03 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3cys s VAL 20 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3cys s VAL 20 CO -0.05 0.47 -0.21 -0.44 0.00 0.00 0.00 175.10 174.87 3cys s SER 21 N -0.01 3.61 0.27 3.32 0.01 -0.65 -0.47 113.70 119.78 3cys s SER 21 Ca 0.14 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.96 3cys s SER 21 Cb -0.13 -0.51 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 3cys s SER 21 CO 0.03 0.26 0.02 -0.36 0.41 0.00 0.00 173.24 173.60 3cys s PHE 22 N -0.89 1.72 -0.03 2.43 0.08 -0.08 -2.92 117.98 118.29 3cys s PHE 22 Ca 0.14 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.26 3cys s PHE 22 Cb -0.10 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 3cys s PHE 22 CO 0.04 -0.04 -0.09 -1.83 -0.10 0.00 0.00 175.22 173.21 3cys s GLU 23 N -3.88 1.03 0.23 0.44 -1.05 -1.07 -2.41 118.70 111.98 3cys s GLU 23 Ca 0.32 -0.29 0.05 0.00 -0.15 0.00 0.00 54.97 54.91 3cys s GLU 23 Cb 0.07 -0.95 -0.03 0.00 -0.44 0.00 0.00 34.13 32.78 3cys s GLU 23 CO 0.12 0.07 0.30 -0.51 0.95 0.00 0.00 175.26 176.19 3cys s LEU 24 N 0.36 4.18 -0.69 1.83 2.01 -0.94 -2.89 118.68 122.54 3cys s LEU 24 Ca -0.06 -0.00 0.05 0.00 0.01 0.00 0.00 54.13 54.13 3cys s LEU 24 Cb -0.10 -2.73 0.25 0.00 0.01 0.00 0.00 46.19 43.63 3cys s LEU 24 CO 0.01 -0.04 0.82 0.49 1.01 0.00 0.00 176.35 178.64 3cys n PHE 25 N -1.18 3.52 -0.10 0.29 3.72 -1.26 -4.17 117.46 118.27 3cys n PHE 25 Ca -0.08 -4.01 0.19 0.00 -0.05 0.00 0.00 57.45 53.50 3cys n PHE 25 Cb 0.57 -0.63 0.60 0.00 -0.94 0.00 0.00 39.48 39.08 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cys h ALA 26 N 4.32 2.34 -0.67 4.37 0.00 -1.55 0.45 119.26 128.52 3cys h ALA 26 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3cys h ALA 26 Cb 0.66 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3cys h ALA 26 CO 0.89 -0.53 0.40 0.22 0.00 0.00 0.00 179.25 180.22 3cys h ASP 27 N 0.21 0.63 0.38 0.00 3.58 -1.79 -0.96 116.42 118.46 3cys h ASP 27 Ca 0.33 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.73 3cys h ASP 27 Cb 1.01 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 3cys h ASP 27 CO -0.06 0.42 -1.68 0.29 -2.88 0.00 0.00 179.24 175.33 3cys n LYS 28 N -4.73 0.64 -3.30 0.28 5.02 0.63 -4.58 118.16 112.12 3cys n LYS 28 Ca 0.08 -0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 3cys n LYS 28 Cb 0.13 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.40 3cys n LYS 28 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3cys s VAL 29 N -3.28 0.14 0.81 -0.18 -7.23 0.13 -4.84 120.40 105.95 3cys s VAL 29 Ca -0.05 -2.41 -0.12 0.00 -1.81 0.00 0.00 61.98 57.60 3cys s VAL 29 Cb 0.11 -1.07 0.08 0.00 0.56 0.00 0.00 36.38 36.06 3cys s VAL 29 CO 0.85 -1.06 1.10 -2.16 -0.31 0.00 0.00 175.10 173.52 3cys s PRO 30 N 0.19 1.94 0.00 4.82 0.04 -0.38 -2.67 135.00 138.94 3cys s PRO 30 Ca 0.32 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3cys s PRO 30 Cb 0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3cys s PRO 30 CO -0.18 -1.71 0.00 1.17 0.04 0.00 0.00 177.00 176.33 3cys n LYS 31 N -3.48 0.00 0.08 4.56 4.81 -1.26 -4.41 118.16 118.45 3cys n LYS 31 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 3cys n LYS 31 Cb 0.57 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.57 3cys n LYS 31 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3cys h THR 32 N 0.00 0.46 -0.51 3.15 2.02 -1.94 0.42 112.91 116.50 3cys h THR 32 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3cys h THR 32 Cb 0.00 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3cys h THR 32 CO 0.00 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.23 3cys h ALA 33 N 0.42 1.64 0.54 6.16 0.00 -1.72 -2.22 119.26 124.08 3cys h ALA 33 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3cys h ALA 33 Cb 0.46 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cys h ALA 33 CO -0.19 0.34 -0.26 1.49 0.00 0.00 0.00 179.25 180.63 3cys h GLU 34 N 0.69 -0.69 -0.36 0.00 4.81 -1.61 0.10 114.58 117.53 3cys h GLU 34 Ca 0.19 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 3cys h GLU 34 Cb -0.08 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3cys h GLU 34 CO -0.04 -0.42 0.00 -0.97 -0.73 0.00 0.00 179.01 176.85 3cys h ASN 35 N -0.82 -0.14 0.10 1.04 -1.24 -0.70 0.28 115.58 114.10 3cys h ASN 35 Ca -0.07 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3cys h ASN 35 Cb 0.59 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.79 3cys h ASN 35 CO 0.12 -0.03 -0.05 0.15 -1.29 0.00 0.00 177.43 176.33 3cys h PHE 36 N 0.10 -0.12 -0.40 0.67 3.04 -1.29 -0.74 116.94 118.20 3cys h PHE 36 Ca 0.18 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 3cys h PHE 36 Cb 0.24 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 3cys h PHE 36 CO -0.25 -0.06 -0.05 -0.09 -2.02 0.00 0.00 178.31 175.84 3cys h ARG 37 N -0.15 0.67 -0.07 1.11 1.12 -0.33 -2.43 114.38 114.30 3cys h ARG 37 Ca -0.01 -0.19 -0.02 0.00 -1.11 0.00 0.00 59.98 58.65 3cys h ARG 37 Cb 0.12 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.00 3cys h ARG 37 CO 0.02 0.73 -0.04 0.00 -3.11 0.00 0.00 179.97 177.57 3cys h ALA 38 N 1.32 0.10 -0.65 2.80 0.00 -0.22 -3.09 119.26 119.51 3cys h ALA 38 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3cys h ALA 38 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3cys h ALA 38 CO 0.02 -0.14 0.40 -0.07 0.00 0.00 0.00 179.25 179.46 3cys h LEU 39 N -0.24 0.77 -2.66 0.00 3.38 -0.99 0.31 115.31 115.89 3cys h LEU 39 Ca 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3cys h LEU 39 Cb 0.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3cys h LEU 39 CO 0.01 0.58 0.05 0.28 0.09 0.00 0.00 178.44 179.46 3cys h SER 40 N 0.89 0.00 -0.38 -0.43 0.02 -1.35 -0.12 113.55 112.18 3cys h SER 40 Ca 0.24 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.91 3cys h SER 40 Cb -0.05 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.12 3cys h SER 40 CO -0.05 0.00 -0.97 1.07 -1.14 0.00 0.00 176.83 175.74 3cys n THR 41 N -3.39 1.42 -1.54 -2.27 5.66 0.04 -4.06 114.28 110.13 3cys n THR 41 Ca -0.02 -2.89 -0.39 0.00 -3.05 0.00 0.00 64.05 57.69 3cys n THR 41 Cb 0.13 0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.46 4.55 0.10 1.09 0.00 0.87 -4.49 105.19 106.84 3cys n GLY 42 Ca 0.17 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.59 3cys n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cys n GLU 43 N 3.11 0.10 -0.23 1.61 1.02 -1.26 0.11 120.64 125.10 3cys n GLU 43 Ca 0.73 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 58.53 3cys n GLU 43 Cb 0.24 -1.78 0.42 0.00 -0.02 0.00 0.00 31.44 30.31 3cys n GLU 43 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3cys h LYS 44 N 0.00 0.57 0.00 3.49 3.64 -1.94 -3.42 116.57 118.91 3cys h LYS 44 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3cys h LYS 44 Cb 0.08 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3cys h LYS 44 CO 0.00 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 3cys n GLY 45 N -1.47 -1.06 3.64 5.01 0.00 -0.69 -5.17 105.19 105.45 3cys n GLY 45 Ca 0.16 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 -0.33 -0.39 1.61 -0.12 0.12 -5.09 117.98 111.77 3cys s PHE 46 Ca 0.00 0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 3cys s PHE 46 Cb 0.00 0.63 0.19 0.00 -0.63 0.00 0.00 43.02 43.21 3cys s PHE 46 CO 0.00 -0.96 0.89 0.20 -0.05 0.00 0.00 175.22 175.29 3cys s GLY 47 N -2.81 -1.51 -1.03 1.99 0.00 -1.25 -3.82 107.32 98.89 3cys s GLY 47 Ca 0.07 0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 3cys s GLY 47 CO -0.03 4.01 0.53 -1.72 0.00 0.00 0.00 173.10 175.89 3cys n TYR 48 N 3.43 -1.13 -2.38 1.90 4.01 -1.26 -4.82 117.16 116.92 3cys n TYR 48 Ca 0.11 0.06 0.04 0.00 -0.16 0.00 0.00 57.90 57.95 3cys n TYR 48 Cb 0.60 -2.29 0.04 0.00 -0.31 0.00 0.00 39.34 37.39 3cys n TYR 48 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3cys n LYS 49 N -4.39 0.19 -1.96 -0.72 3.00 -1.26 -4.59 118.16 108.43 3cys n LYS 49 Ca -0.10 -2.13 -0.01 0.00 -0.00 0.00 0.00 58.31 56.07 3cys n LYS 49 Cb 0.47 -0.21 0.04 0.00 0.00 0.00 0.00 35.03 35.33 3cys n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 50 N 0.29 -0.05 3.19 3.14 0.00 -1.26 -5.12 105.19 105.38 3cys n GLY 50 Ca 0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3cys n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cys s SER 51 N -0.36 1.72 0.00 1.61 0.15 -1.26 -4.87 113.70 110.69 3cys s SER 51 Ca 0.03 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3cys s SER 51 Cb 0.14 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 3cys s SER 51 CO -0.04 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.26 3cys s PHE 53 N 2.51 2.28 0.00 0.00 0.40 -1.25 -0.66 117.98 121.25 3cys s PHE 53 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 3cys s PHE 53 Cb 0.00 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3cys s PHE 53 CO 0.00 0.03 0.36 0.72 0.70 0.00 0.00 175.22 177.02 3cys n HIS 54 N 2.18 0.00 -4.05 0.36 8.25 -1.26 -4.76 115.22 115.94 3cys n HIS 54 Ca -0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 3cys n HIS 54 Cb 0.52 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.39 3cys n HIS 54 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3cys s ARG 55 N -0.99 0.58 -0.05 -0.41 0.52 -1.26 -4.89 118.95 112.46 3cys s ARG 55 Ca 0.00 -1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 54.09 3cys s ARG 55 Cb 0.00 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.71 3cys s ARG 55 CO 0.00 -0.11 0.08 0.42 0.02 0.00 0.00 175.30 175.70 3cys s ILE 56 N -3.51 -0.13 -0.08 1.52 1.01 0.13 -4.28 121.20 115.86 3cys s ILE 56 Ca 0.03 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 3cys s ILE 56 Cb 0.05 -0.17 0.03 0.00 0.01 0.00 0.00 42.46 42.38 3cys s ILE 56 CO -0.09 0.16 -0.01 -0.63 0.00 0.00 0.00 174.94 174.37 3cys s ILE 57 N 2.01 0.49 0.01 2.92 1.01 -1.20 -3.83 121.20 122.62 3cys s ILE 57 Ca 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 3cys s ILE 57 Cb -0.12 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 3cys s ILE 57 CO -0.04 0.27 1.19 -2.16 0.00 0.00 0.00 174.94 174.21 3cys s PRO 58 N 1.84 4.41 0.00 2.79 0.04 -1.26 -2.76 135.00 140.06 3cys s PRO 58 Ca 0.04 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3cys s PRO 58 Cb -0.12 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3cys s PRO 58 CO -0.05 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.08 3cys n GLY 59 N 3.26 0.66 2.00 0.56 0.00 -1.26 -4.89 105.19 105.52 3cys n GLY 59 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.84 -1.09 -3.51 1.61 7.35 -1.17 -4.86 117.46 112.94 3cys n PHE 60 Ca 0.00 0.20 -0.09 0.00 -0.76 0.00 0.00 57.45 56.79 3cys n PHE 60 Cb 0.12 0.58 -0.02 0.00 0.35 0.00 0.00 39.48 40.50 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 -1.39 0.81 0.29 -4.13 0.23 -1.11 -0.58 119.30 113.43 3cys s MET 61 Ca 0.00 -0.23 0.02 0.00 -1.03 0.00 0.00 55.69 54.45 3cys s MET 61 Cb 0.00 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 3cys s MET 61 CO 0.00 -0.34 0.09 0.00 -2.03 0.00 0.00 175.02 172.74 3cys n GLN 63 N -0.56 0.00 0.00 0.00 -0.06 -1.26 0.80 117.38 116.30 3cys n GLN 63 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3cys n GLN 63 Cb 0.66 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.84 3cys n GLN 63 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3cys n GLY 64 N 0.00 0.56 2.43 1.69 0.00 -1.26 -4.89 105.19 103.73 3cys n GLY 64 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 0.25 3.50 -0.02 0.00 -0.98 -4.18 105.19 103.76 3cys n GLY 65 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.10 6.57 -0.22 1.61 -1.08 0.17 -4.67 116.67 115.95 3cys s ASP 66 Ca 0.25 -1.79 -0.20 0.00 -0.52 0.00 0.00 52.55 50.29 3cys s ASP 66 Cb -0.11 -2.47 -0.18 0.00 -1.46 0.00 0.00 42.92 38.70 3cys s ASP 66 CO 0.31 -1.25 0.09 0.49 0.52 0.00 0.00 175.17 175.32 3cys n PHE 67 N 7.54 0.80 -2.09 -5.34 3.72 -1.26 -1.44 117.46 119.39 3cys n PHE 67 Ca 0.28 0.34 -0.09 0.00 -0.05 0.00 0.00 57.45 57.93 3cys n PHE 67 Cb 0.50 -1.08 -0.01 0.00 -0.94 0.00 0.00 39.48 37.95 3cys n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3cys n THR 68 N -4.37 -0.28 -2.22 4.37 -2.24 -1.26 -0.60 114.28 107.68 3cys n THR 68 Ca -0.37 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 3cys n THR 68 Cb 0.73 -1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3cys n THR 68 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3cys n ARG 69 N -2.36 -2.54 -4.12 -0.78 0.00 -1.26 0.41 116.66 106.01 3cys n ARG 69 Ca -0.10 0.10 -0.45 0.00 -0.00 0.00 0.00 57.85 57.39 3cys n ARG 69 Cb 0.49 -4.52 0.01 0.00 0.00 0.00 0.00 32.46 28.43 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 -2.36 -1.33 0.00 -0.14 8.25 0.24 -4.77 115.22 115.11 3cys n HIS 70 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3cys n HIS 70 Cb 0.43 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.82 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 -2.18 0.00 0.00 0.41 0.23 0.16 -5.07 115.26 108.81 3cys n ASN 71 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 3cys n ASN 71 Cb 0.57 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 72 N 0.73 1.21 0.00 4.83 0.00 -1.03 -5.04 105.19 105.89 3cys n GLY 72 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 2.61 -1.04 -1.26 -4.85 114.28 109.75 3cys n THR 73 Ca 0.00 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3cys n THR 73 Cb 0.00 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 2.41 2.95 1.16 3.41 0.00 -1.26 -4.08 105.19 109.77 3cys n GLY 74 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.35 3.61 -0.02 0.00 -1.26 -4.82 105.19 103.05 3cys n GLY 75 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3cys n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 76 N -2.77 0.29 0.21 1.61 -2.85 -1.26 -3.73 119.74 111.22 3cys s LYS 76 Ca 0.00 1.20 -0.23 0.00 -1.00 0.00 0.00 55.97 55.94 3cys s LYS 76 Cb 0.00 -1.67 0.05 0.00 -2.06 0.00 0.00 37.83 34.15 3cys s LYS 76 CO 0.00 -3.02 0.80 0.45 0.10 0.00 0.00 175.35 173.68 3cys s SER 77 N -2.69 -0.27 0.12 0.03 0.15 -1.25 -3.39 113.70 106.40 3cys s SER 77 Ca 0.67 -0.43 0.27 0.00 0.70 0.00 0.00 55.95 57.16 3cys s SER 77 Cb -0.23 0.61 0.98 0.00 -1.71 0.00 0.00 66.02 65.67 3cys s SER 77 CO 0.60 -1.11 1.83 2.30 1.20 0.00 0.00 173.24 178.07 3cys n ILE 78 N -0.44 0.37 -0.66 6.45 -5.35 -1.26 -2.91 119.36 115.56 3cys n ILE 78 Ca -0.06 -0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.35 3cys n ILE 78 Cb 0.60 -0.58 0.31 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 -1.94 1.29 -0.47 4.28 4.01 -1.26 -4.90 117.16 118.16 3cys n TYR 79 Ca 0.06 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 3cys n TYR 79 Cb 0.38 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.65 0.59 4.42 2.72 0.00 -1.15 -4.49 105.19 107.93 3cys n GLY 80 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.28 0.00 -4.36 1.61 2.13 -1.18 -4.82 120.64 113.74 3cys n GLU 81 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 3cys n GLU 81 Cb 0.12 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.73 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3cys s LYS 82 N 0.00 1.46 0.23 5.31 1.02 -1.26 -3.91 119.74 122.59 3cys s LYS 82 Ca 0.00 -1.79 -0.22 0.00 0.02 0.00 0.00 55.97 53.98 3cys s LYS 82 Cb 0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 37.83 36.85 3cys s LYS 82 CO 0.00 -0.22 0.86 -0.59 -0.92 0.00 0.00 175.35 174.47 3cys s PHE 83 N -3.56 -0.11 1.18 3.18 -0.71 -0.52 -4.62 117.98 112.82 3cys s PHE 83 Ca 0.35 -0.31 -0.13 0.00 -1.04 0.00 0.00 56.93 55.81 3cys s PHE 83 Cb 0.08 0.69 0.29 0.00 -1.21 0.00 0.00 43.02 42.87 3cys s PHE 83 CO 0.13 -1.08 1.02 -1.83 -1.34 0.00 0.00 175.22 172.13 3cys s GLU 84 N -3.31 -1.02 0.00 1.99 -1.05 -1.26 -3.84 118.70 110.20 3cys s GLU 84 Ca 0.13 0.81 0.00 0.00 -0.15 0.00 0.00 54.97 55.76 3cys s GLU 84 Cb -0.04 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.11 3cys s GLU 84 CO 0.05 -3.79 0.00 -3.47 0.95 0.00 0.00 175.26 169.01 3cys n ASP 85 N -4.96 0.00 0.00 0.83 2.03 -1.26 -4.84 116.55 108.35 3cys n ASP 85 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3cys n ASP 85 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 3cys n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3cys n GLU 86 N 0.00 0.00 -3.84 -0.67 0.00 -1.26 -5.01 120.64 109.86 3cys n GLU 86 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 3cys n GLU 86 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.46 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 1.00 0.19 -0.27 -1.84 2.20 -1.26 -5.06 114.94 109.89 3cys s ASN 87 Ca 0.00 -1.26 0.12 0.00 -0.94 0.00 0.00 52.86 50.78 3cys s ASN 87 Cb 0.00 0.84 0.47 0.00 -2.00 0.00 0.00 41.25 40.56 3cys s ASN 87 CO 0.00 -1.68 1.17 0.49 -2.94 0.00 0.00 177.10 174.14 3cys n PHE 88 N -0.55 2.08 0.21 1.54 3.72 -1.26 -4.71 117.46 118.50 3cys n PHE 88 Ca -0.08 -2.10 0.09 0.00 -0.05 0.00 0.00 57.45 55.31 3cys n PHE 88 Cb 0.60 -0.30 0.35 0.00 -0.94 0.00 0.00 39.48 39.20 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 3.18 0.54 -3.45 4.37 2.04 -1.95 -3.44 117.51 118.80 3cys h ILE 89 Ca 0.19 -1.31 -0.45 0.00 1.00 0.00 0.00 64.86 64.28 3cys h ILE 89 Cb 1.44 1.91 0.07 0.00 -0.74 0.00 0.00 36.82 39.50 3cys h ILE 89 CO 0.53 0.25 0.16 -0.76 0.00 0.00 0.00 178.15 178.33 3cys s LEU 90 N -6.64 2.98 0.31 1.44 2.01 -1.26 -5.09 118.68 112.44 3cys s LEU 90 Ca 0.02 0.38 0.05 0.00 0.01 0.00 0.00 54.13 54.59 3cys s LEU 90 Cb 0.09 -3.10 -0.03 0.00 0.01 0.00 0.00 46.19 43.16 3cys s LEU 90 CO 0.66 -1.42 0.27 -0.54 1.01 0.00 0.00 176.35 176.33 3cys s LYS 91 N -5.10 1.69 -0.60 1.70 1.02 -1.26 -4.04 119.74 113.15 3cys s LYS 91 Ca 0.59 -1.94 -0.08 0.00 0.02 0.00 0.00 55.97 54.55 3cys s LYS 91 Cb -0.11 0.33 0.16 0.00 -0.52 0.00 0.00 37.83 37.69 3cys s LYS 91 CO 0.43 -0.63 0.47 -1.01 -0.92 0.00 0.00 175.35 173.70 3cys s HIS 92 N -3.51 3.50 0.31 3.18 3.76 -1.26 -4.89 115.29 116.38 3cys s HIS 92 Ca 0.40 -2.16 0.15 0.00 -0.15 0.00 0.00 55.06 53.30 3cys s HIS 92 Cb 0.03 -3.49 0.73 0.00 1.11 0.00 0.00 32.58 30.96 3cys s HIS 92 CO 0.25 -0.95 1.80 1.79 -0.85 0.00 0.00 174.74 176.78 3cys h THR 93 N 5.56 1.13 0.00 1.30 1.35 -1.95 -3.43 112.91 116.86 3cys h THR 93 Ca -0.08 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3cys h THR 93 Cb 1.03 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3cys h THR 93 CO 0.79 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 3cys n GLY 94 N -0.21 -0.07 3.79 5.82 0.00 -1.26 -4.91 105.19 108.35 3cys n GLY 94 Ca -0.01 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.98 4.00 0.00 1.61 0.04 -1.25 -3.98 135.00 134.44 3cys s PRO 95 Ca 0.00 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.48 3cys s PRO 95 Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3cys s PRO 95 CO 0.00 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3cys n GLY 96 N 0.07 0.89 3.16 0.56 0.00 -0.32 -4.88 105.19 104.67 3cys n GLY 96 Ca 0.07 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.35 1.62 -0.60 -0.61 -1.09 -1.03 -0.81 121.20 116.33 3cys s ILE 97 Ca 0.00 -0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 57.43 3cys s ILE 97 Cb 0.00 -1.39 0.11 0.00 -1.58 0.00 0.00 42.46 39.60 3cys s ILE 97 CO 0.00 0.46 0.67 -0.22 -1.23 0.00 0.00 174.94 174.62 3cys s LEU 98 N 0.09 5.62 0.68 2.97 0.20 0.36 0.31 118.68 128.91 3cys s LEU 98 Ca -0.07 -1.58 0.01 0.00 0.69 0.00 0.00 54.13 53.19 3cys s LEU 98 Cb -0.13 -2.28 0.11 0.00 -0.43 0.00 0.00 46.19 43.46 3cys s LEU 98 CO 0.03 -1.04 0.94 -0.94 -0.29 0.00 0.00 176.35 175.05 3cys s SER 99 N 3.58 4.57 0.51 3.68 1.04 0.14 -1.59 113.70 125.64 3cys s SER 99 Ca 0.10 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.18 3cys s SER 99 Cb -0.25 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.80 3cys s SER 99 CO 0.05 -1.69 0.20 -0.04 0.98 0.00 0.00 173.24 172.73 3cys s MET 100 N -5.02 2.22 -0.03 4.02 1.00 -1.18 -0.21 119.30 120.10 3cys s MET 100 Ca 0.64 -2.18 -0.03 0.00 0.00 0.00 0.00 55.69 54.13 3cys s MET 100 Cb -0.06 -1.83 0.01 0.00 0.00 0.00 0.00 34.83 32.95 3cys s MET 100 CO 0.43 -0.45 0.08 0.00 0.00 0.00 0.00 175.02 175.08 3cys s ALA 101 N -2.80 -0.19 0.03 3.03 0.00 -1.21 -4.61 121.76 116.01 3cys s ALA 101 Ca 0.22 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.07 3cys s ALA 101 Cb 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.10 3cys s ALA 101 CO 0.13 -0.05 0.72 0.54 0.00 0.00 0.00 175.76 177.09 3cys s ASN 102 N -0.11 -0.54 -0.27 0.00 2.20 -1.26 -4.30 114.94 110.66 3cys s ASN 102 Ca -0.02 0.26 0.09 0.00 -0.94 0.00 0.00 52.86 52.26 3cys s ASN 102 Cb -0.01 0.51 0.48 0.00 -2.00 0.00 0.00 41.25 40.23 3cys s ASN 102 CO 0.00 -0.73 1.40 0.00 -2.94 0.00 0.00 177.10 174.82 3cys n ALA 103 N 0.15 4.20 0.00 3.54 0.00 -1.26 -5.01 120.51 122.13 3cys n ALA 103 Ca -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.06 3cys n ALA 103 Cb 0.61 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.11 0.96 3.69 0.00 0.00 -1.26 -4.98 105.19 102.49 3cys n GLY 104 Ca 0.30 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.80 4.34 -0.97 1.61 0.04 -1.26 -3.39 135.00 133.58 3cys s PRO 105 Ca 0.00 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 3cys s PRO 105 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3cys s PRO 105 CO 0.00 -0.46 0.83 -1.71 0.04 0.00 0.00 177.00 175.70 3cys n ASN 106 N 5.23 -3.55 -0.00 6.66 2.85 -1.26 -4.90 115.26 120.29 3cys n ASN 106 Ca 0.11 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 3cys n ASN 106 Cb 0.46 -3.99 -0.00 0.00 1.24 0.00 0.00 39.78 37.49 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 -3.85 0.00 -2.23 -0.44 -2.24 -1.22 -4.40 114.28 99.90 3cys n THR 107 Ca -0.12 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 3cys n THR 107 Cb 0.59 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.50 6.89 0.00 3.42 3.04 -1.25 -4.65 114.94 121.90 3cys s ASN 108 Ca 0.00 2.31 0.00 0.00 0.04 0.00 0.00 52.86 55.21 3cys s ASN 108 Cb 0.00 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 3cys s ASN 108 CO 0.00 -0.57 0.00 0.61 -3.04 0.00 0.00 177.10 174.10 3cys n GLY 109 N 3.01 4.59 0.00 1.21 0.00 -1.26 -1.44 105.19 111.29 3cys n GLY 109 Ca 0.09 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.47 3cys n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 110 N 0.00 0.00 -4.59 1.61 7.64 -1.22 -4.68 113.62 112.39 3cys n SER 110 Ca 0.00 0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.88 3cys n SER 110 Cb 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys s GLN 111 N -2.94 3.15 0.00 1.43 -2.07 -1.26 -4.96 119.66 113.01 3cys s GLN 111 Ca 0.15 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 54.86 3cys s GLN 111 Cb 0.18 -4.24 0.00 0.00 -1.09 0.00 0.00 33.01 27.87 3cys s GLN 111 CO 0.50 -2.08 0.00 1.19 -1.32 0.00 0.00 175.29 173.58 3cys n PHE 112 N 10.88 0.00 -3.18 9.60 3.72 -1.26 -3.30 117.46 133.92 3cys n PHE 112 Ca 0.22 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.66 3cys n PHE 112 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 3cys n PHE 112 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3cys s PHE 113 N 2.94 -0.11 -0.39 1.38 5.36 0.71 -4.44 117.98 123.42 3cys s PHE 113 Ca 0.00 0.18 -0.27 0.00 -0.96 0.00 0.00 56.93 55.88 3cys s PHE 113 Cb 0.00 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.76 3cys s PHE 113 CO 0.00 -0.06 0.99 0.42 -1.46 0.00 0.00 175.22 175.11 3cys s ILE 114 N 2.30 4.49 0.01 3.12 1.01 0.24 0.28 121.20 132.65 3cys s ILE 114 Ca -0.02 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 3cys s ILE 114 Cb -0.03 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3cys s ILE 114 CO -0.14 -0.65 1.08 0.00 0.00 0.00 0.00 174.94 175.24 3cys n THR 116 N 4.02 2.39 -3.89 0.00 -1.04 0.26 -1.17 114.28 114.85 3cys n THR 116 Ca 0.08 -2.68 -0.03 0.00 -2.04 0.00 0.00 64.05 59.38 3cys n THR 116 Cb 0.49 -0.29 0.02 0.00 -1.82 0.00 0.00 70.33 68.73 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys n ALA 117 N -1.07 -2.63 -2.53 2.41 0.00 -1.15 -4.58 120.51 110.96 3cys n ALA 117 Ca 0.27 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 3cys n ALA 117 Cb 0.92 0.54 -0.02 0.00 0.00 0.00 0.00 19.45 20.88 3cys n ALA 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cys s LYS 118 N -2.05 3.99 -0.69 0.00 2.20 -1.26 -3.74 119.74 118.19 3cys s LYS 118 Ca 0.22 1.14 0.04 0.00 -0.36 0.00 0.00 55.97 57.01 3cys s LYS 118 Cb -0.03 -3.81 0.17 0.00 -1.51 0.00 0.00 37.83 32.65 3cys s LYS 118 CO 0.05 -1.02 0.48 0.95 -0.36 0.00 0.00 175.35 175.45 3cys s THR 119 N 4.00 3.05 -0.24 3.43 -4.23 -1.26 -4.91 115.64 115.49 3cys s THR 119 Ca 0.51 -3.98 0.28 0.00 -1.18 0.00 0.00 61.69 57.32 3cys s THR 119 Cb -0.14 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.04 3cys s THR 119 CO 0.20 -0.97 1.81 1.05 -0.54 0.00 0.00 174.62 176.17 3cys h GLU 120 N 5.77 0.00 -0.01 3.99 4.11 -1.93 -2.43 114.58 124.09 3cys h GLU 120 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3cys h GLU 120 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3cys h GLU 120 CO 0.73 0.00 -0.16 -2.67 0.07 0.00 0.00 179.01 176.98 3cys n TRP 121 N -2.89 0.00 0.29 2.06 2.14 -1.26 -2.57 117.44 115.21 3cys n TRP 121 Ca 0.02 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.64 3cys n TRP 121 Cb 0.38 -0.12 0.05 0.00 -0.81 0.00 0.00 31.31 30.81 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 -0.64 1.86 -4.70 5.67 4.77 -0.93 -4.89 117.00 118.13 3cys n LEU 122 Ca 0.14 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.56 3cys n LEU 122 Cb 0.32 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3cys n LEU 122 CO 0.23 0.39 1.07 -0.62 -1.33 0.00 0.00 177.39 177.13 3cys s ASP 123 N -0.76 6.88 -1.22 -1.43 2.15 -1.06 -2.06 116.67 119.17 3cys s ASP 123 Ca 0.11 2.16 0.00 0.00 0.43 0.00 0.00 52.55 55.25 3cys s ASP 123 Cb 0.07 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3cys s ASP 123 CO 0.11 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 3cys n GLY 124 N 3.54 -0.41 1.37 2.66 0.00 -1.26 -4.73 105.19 106.36 3cys n GLY 124 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.80 0.00 -0.63 1.61 4.01 -0.92 -4.82 118.16 114.60 3cys n LYS 125 Ca -0.17 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.71 3cys n LYS 125 Cb 0.62 -0.32 0.33 0.00 -0.51 0.00 0.00 35.03 35.15 3cys n LYS 125 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3cys n HIS 126 N -3.04 1.45 -1.09 2.13 -0.00 -0.88 -5.05 115.22 108.74 3cys n HIS 126 Ca 0.00 -0.76 0.06 0.00 0.46 0.00 0.00 57.72 57.48 3cys n HIS 126 Cb 0.22 -0.36 -0.03 0.00 -0.12 0.00 0.00 29.99 29.69 3cys n HIS 126 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3cys n VAL 127 N 0.25 -1.47 -3.66 3.57 0.31 -1.26 -3.10 118.33 112.96 3cys n VAL 127 Ca 0.24 0.89 -0.29 0.00 -0.01 0.00 0.00 64.34 65.17 3cys n VAL 127 Cb 0.99 -1.43 -0.15 0.00 -0.91 0.00 0.00 33.84 32.33 3cys n VAL 127 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cys s VAL 128 N -4.55 0.45 -0.77 2.52 1.01 -1.26 -3.47 120.40 114.34 3cys s VAL 128 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3cys s VAL 128 Cb 0.00 -1.27 0.34 0.00 0.00 0.00 0.00 36.38 35.45 3cys s VAL 128 CO 0.00 -0.59 1.43 0.33 0.00 0.00 0.00 175.10 176.27 3cys n PHE 129 N 5.04 3.37 0.00 5.22 7.35 -0.62 -4.83 117.46 132.98 3cys n PHE 129 Ca -0.05 -3.15 0.00 0.00 -0.76 0.00 0.00 57.45 53.50 3cys n PHE 129 Cb 0.43 -0.79 0.00 0.00 0.35 0.00 0.00 39.48 39.47 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3cys n GLY 130 N -0.24 0.97 3.27 7.13 0.00 -1.11 -4.84 105.19 110.37 3cys n GLY 130 Ca 0.41 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.08 1.01 -0.24 1.61 -2.85 -1.14 -0.49 119.74 116.56 3cys s LYS 131 Ca 0.00 -1.10 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 3cys s LYS 131 Cb 0.00 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 3cys s LYS 131 CO 0.00 -0.35 0.43 0.08 0.10 0.00 0.00 175.35 175.61 3cys s VAL 132 N -3.93 5.15 -0.15 1.79 1.01 0.01 -2.61 120.40 121.67 3cys s VAL 132 Ca 0.13 0.73 0.18 0.00 0.00 0.00 0.00 61.98 63.02 3cys s VAL 132 Cb 0.04 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.41 3cys s VAL 132 CO -0.04 0.17 0.25 2.29 0.00 0.00 0.00 175.10 177.77 3cys n LYS 133 N 5.05 0.67 -3.67 2.72 -0.00 -1.20 -4.88 118.16 116.85 3cys n LYS 133 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.10 3cys n LYS 133 Cb 0.51 -1.57 -0.08 0.00 -0.00 0.00 0.00 35.03 33.89 3cys n LYS 133 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3cys s GLU 134 N -2.71 0.74 0.00 -1.58 2.02 -1.15 -4.92 118.70 111.10 3cys s GLU 134 Ca -0.09 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.20 3cys s GLU 134 Cb 0.08 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.65 3cys s GLU 134 CO 0.84 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.36 3cys n GLY 135 N 1.81 0.96 0.34 -1.39 0.00 -1.26 -1.63 105.19 104.02 3cys n GLY 135 Ca -0.18 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 1.86 0.88 0.00 1.61 2.86 -1.93 0.66 114.93 120.87 3cys h MET 136 Ca 0.00 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3cys h MET 136 Cb 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3cys h MET 136 CO 0.00 0.58 -0.43 -2.95 1.06 0.00 0.00 176.91 175.17 3cys h ASN 137 N 0.91 0.00 -0.09 1.22 7.08 -1.98 0.68 115.58 123.40 3cys h ASN 137 Ca 0.27 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.26 3cys h ASN 137 Cb -0.02 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.23 3cys h ASN 137 CO -0.07 0.43 -0.82 0.40 -2.08 0.00 0.00 177.43 175.29 3cys h ILE 138 N 0.00 1.29 -0.54 6.14 1.08 -1.60 -0.53 117.51 123.34 3cys h ILE 138 Ca -0.00 -2.03 -0.06 0.00 -0.39 0.00 0.00 64.86 62.37 3cys h ILE 138 Cb 0.98 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 3cys h ILE 138 CO 0.06 0.64 0.10 0.58 -0.69 0.00 0.00 178.15 178.83 3cys h VAL 139 N 0.50 1.25 -0.64 1.67 2.07 -0.54 0.62 116.25 121.17 3cys h VAL 139 Ca -0.06 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 3cys h VAL 139 Cb 1.45 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3cys h VAL 139 CO 0.16 0.34 0.21 -0.08 0.02 0.00 0.00 177.57 178.23 3cys h GLU 140 N 0.77 1.00 -0.47 1.57 4.81 -0.84 -0.25 114.58 121.17 3cys h GLU 140 Ca 0.16 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3cys h GLU 140 Cb 0.39 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3cys h GLU 140 CO 0.01 0.87 0.27 0.00 -0.73 0.00 0.00 179.01 179.43 3cys h ALA 141 N 1.08 0.60 -0.36 2.92 0.00 -0.82 -0.69 119.26 121.99 3cys h ALA 141 Ca 0.21 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3cys h ALA 141 Cb 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3cys h ALA 141 CO -0.01 0.10 0.09 1.98 0.00 0.00 0.00 179.25 181.41 3cys h MET 142 N 0.62 0.21 -0.71 0.00 1.85 -0.45 -1.34 114.93 115.12 3cys h MET 142 Ca 0.17 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.28 3cys h MET 142 Cb 0.02 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 3cys h MET 142 CO -0.03 0.14 0.47 0.93 -0.40 0.00 0.00 176.91 178.01 3cys h GLU 143 N 0.22 0.82 0.00 0.39 5.08 -0.62 -1.26 114.58 119.21 3cys h GLU 143 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3cys h GLU 143 Cb 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cys h GLU 143 CO -0.21 0.54 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.21 3cys h ARG 144 N 0.84 0.00 -0.64 2.33 2.43 0.04 0.16 114.38 119.54 3cys h ARG 144 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3cys h ARG 144 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3cys h ARG 144 CO -0.08 0.04 0.00 1.19 -1.51 0.00 0.00 179.97 179.61 3cys n PHE 145 N -4.15 1.63 -1.97 2.20 3.72 -0.48 -4.89 117.46 113.53 3cys n PHE 145 Ca -0.03 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 3cys n PHE 145 Cb 0.12 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 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 0.72 3.49 3.76 1.37 0.00 0.04 -4.45 105.19 110.12 3cys n GLY 146 Ca 0.24 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 3cys n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cys s SER 147 N -0.37 -0.25 0.00 1.61 0.15 -1.25 -4.90 113.70 108.70 3cys s SER 147 Ca 0.00 -0.62 0.26 0.00 0.70 0.00 0.00 55.95 56.29 3cys s SER 147 Cb 0.00 0.68 0.63 0.00 -1.71 0.00 0.00 66.02 65.62 3cys s SER 147 CO 0.00 -1.26 1.50 -2.11 1.20 0.00 0.00 173.24 172.57 3cys n ARG 148 N -0.43 0.00 0.23 5.44 1.85 -1.26 -3.60 116.66 118.88 3cys n ARG 148 Ca -0.05 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.89 3cys n ARG 148 Cb 0.60 -1.50 0.55 0.00 -1.05 0.00 0.00 32.46 31.06 3cys n ARG 148 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 3cys h ASN 149 N 0.00 0.00 0.00 2.89 7.08 -1.96 -3.46 115.58 120.12 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3cys h ASN 149 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.74 3cys h ASN 149 CO 0.00 0.22 0.00 0.61 -2.08 0.00 0.00 177.43 176.18 3cys n GLY 150 N -0.34 4.35 3.25 9.14 0.00 -1.24 -5.10 105.19 115.25 3cys n GLY 150 Ca -0.01 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 3cys n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 151 N 0.00 1.03 0.59 1.61 2.20 -1.26 -0.69 119.74 123.22 3cys s LYS 151 Ca 0.00 -1.10 -0.10 0.00 -0.36 0.00 0.00 55.97 54.41 3cys s LYS 151 Cb 0.00 -1.22 0.15 0.00 -1.51 0.00 0.00 37.83 35.24 3cys s LYS 151 CO 0.00 0.28 0.54 -2.37 -0.36 0.00 0.00 175.35 173.44 3cys n THR 152 N 1.14 0.00 -2.23 3.43 5.66 -1.26 -4.37 114.28 116.65 3cys n THR 152 Ca -0.20 -0.25 -0.04 0.00 -3.05 0.00 0.00 64.05 60.51 3cys n THR 152 Cb 0.54 -1.15 0.07 0.00 -1.55 0.00 0.00 70.33 68.24 3cys n THR 152 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3cys n SER 153 N -3.87 2.42 0.00 1.09 3.41 -1.26 -4.96 113.62 110.44 3cys n SER 153 Ca 0.07 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 3cys n SER 153 Cb 0.29 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cys n LYS 154 N -0.51 2.55 -3.19 4.33 4.76 -1.26 -5.10 118.16 119.74 3cys n LYS 154 Ca 0.20 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.41 3cys n LYS 154 Cb 0.90 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 34.02 3cys n LYS 154 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3cys n LYS 155 N 0.00 0.75 -2.86 1.97 2.85 -1.26 -5.07 118.16 114.54 3cys n LYS 155 Ca 0.00 -3.24 -0.42 0.00 -1.05 0.00 0.00 58.31 53.60 3cys n LYS 155 Cb 0.00 -1.26 -0.04 0.00 -0.65 0.00 0.00 35.03 33.08 3cys n LYS 155 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3cys s ILE 156 N -1.31 4.86 0.14 0.58 1.01 -1.26 -3.06 121.20 122.15 3cys s ILE 156 Ca 0.36 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.70 3cys s ILE 156 Cb 0.19 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3cys s ILE 156 CO -0.11 0.01 0.01 0.42 0.00 0.00 0.00 174.94 175.27 3cys s THR 157 N 2.24 0.40 -0.07 2.92 -4.23 -0.62 -3.87 115.64 112.41 3cys s THR 157 Ca 0.39 -1.93 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 3cys s THR 157 Cb -0.17 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 3cys s THR 157 CO 0.12 -0.56 0.68 -0.63 -0.54 0.00 0.00 174.62 173.69 3cys s ILE 158 N -3.84 5.06 -0.18 2.99 1.01 -1.25 -0.67 121.20 124.31 3cys s ILE 158 Ca 0.21 1.39 -0.24 0.00 0.00 0.00 0.00 60.65 62.02 3cys s ILE 158 Cb 0.07 -4.02 -0.21 0.00 0.01 0.00 0.00 42.46 38.31 3cys s ILE 158 CO 0.01 0.26 0.41 0.00 0.00 0.00 0.00 174.94 175.63 3cys h ALA 159 N 6.72 0.15 -2.28 9.38 0.00 -1.55 -3.45 119.26 128.23 3cys h ALA 159 Ca -0.41 -0.88 0.19 0.00 0.00 0.00 0.00 54.91 53.81 3cys h ALA 159 Cb 1.20 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3cys h ALA 159 CO 0.75 0.40 0.52 0.16 0.00 0.00 0.00 179.25 181.09 3cys s ASP 160 N -6.54 -0.15 0.14 0.00 1.47 -1.26 -4.94 116.67 105.40 3cys s ASP 160 Ca -0.24 -0.41 -0.24 0.00 1.18 0.00 0.00 52.55 52.84 3cys s ASP 160 Cb 0.02 0.46 0.07 0.00 -0.34 0.00 0.00 42.92 43.13 3cys s ASP 160 CO 0.60 -0.86 0.73 0.00 0.68 0.00 0.00 175.17 176.32 3cys n GLY 162 N -0.37 4.60 3.62 0.00 0.00 -1.21 -4.90 105.19 106.93 3cys n GLY 162 Ca -0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 3.92 0.63 -0.54 1.61 0.74 -1.26 -4.50 119.66 120.26 3cys s GLN 163 Ca 0.00 0.60 0.07 0.00 0.05 0.00 0.00 55.36 56.08 3cys s GLN 163 Cb 0.00 0.31 0.30 0.00 1.10 0.00 0.00 33.01 34.71 3cys s GLN 163 CO 0.00 -0.11 0.78 1.28 -0.55 0.00 0.00 175.29 176.69 3cys n LEU 164 N 2.02 3.01 0.00 3.68 4.77 0.94 -4.96 117.00 126.47 3cys n LEU 164 Ca -0.13 -5.35 0.02 0.00 -0.03 0.00 0.00 56.01 50.53 3cys n LEU 164 Cb 0.56 -0.21 0.13 0.00 -2.33 0.00 0.00 43.42 41.57 3cys n LEU 164 CO 0.06 2.20 0.37 -1.84 -1.33 0.00 0.00 177.39 176.85