#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 0.81 0.44 3.17 -7.23 -1.26 -5.15 120.40 111.19 3cys s VAL 2 Ca 0.00 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 3cys s VAL 2 Cb 0.00 -1.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 3cys s VAL 2 CO 0.00 -0.80 1.00 0.20 -0.31 0.00 0.00 175.10 175.19 3cys s ASN 3 N -2.97 6.69 0.86 4.85 0.01 -1.26 -5.05 114.94 118.07 3cys s ASN 3 Ca 0.12 1.84 -0.12 0.00 -0.71 0.00 0.00 52.86 53.99 3cys s ASN 3 Cb 0.03 -2.56 0.11 0.00 0.41 0.00 0.00 41.25 39.24 3cys s ASN 3 CO -0.03 -0.54 1.12 -2.16 -1.51 0.00 0.00 177.10 173.98 3cys s PRO 4 N -3.05 1.59 0.26 -0.60 0.04 -1.26 -4.89 135.00 127.09 3cys s PRO 4 Ca 0.63 0.45 0.10 0.00 0.04 0.00 0.00 61.00 62.23 3cys s PRO 4 Cb -0.14 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3cys s PRO 4 CO 0.18 -1.92 -0.08 0.99 0.04 0.00 0.00 177.00 176.21 3cys s THR 5 N -3.22 3.08 0.27 1.26 2.01 -1.24 -3.61 115.64 114.19 3cys s THR 5 Ca 0.62 -2.05 0.02 0.00 0.31 0.00 0.00 61.69 60.60 3cys s THR 5 Cb -0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3cys s THR 5 CO 0.54 -0.35 0.16 0.68 -0.69 0.00 0.00 174.62 174.96 3cys s VAL 6 N -2.29 0.23 -0.07 3.82 -7.23 0.42 0.22 120.40 115.49 3cys s VAL 6 Ca 0.30 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 3cys s VAL 6 Cb -0.06 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.46 3cys s VAL 6 CO 0.17 0.00 0.89 0.72 -0.31 0.00 0.00 175.10 176.58 3cys s PHE 7 N -3.75 -0.41 0.14 2.82 -0.71 -1.25 -0.60 117.98 114.22 3cys s PHE 7 Ca 0.37 0.52 -0.24 0.00 -1.04 0.00 0.00 56.93 56.55 3cys s PHE 7 Cb 0.06 0.48 0.07 0.00 -1.21 0.00 0.00 43.02 42.42 3cys s PHE 7 CO 0.17 -0.48 0.64 -0.59 -1.34 0.00 0.00 175.22 173.62 3cys s PHE 8 N -2.04 -0.51 0.05 3.49 -0.12 -0.72 -2.31 117.98 115.81 3cys s PHE 8 Ca -0.00 0.31 -0.06 0.00 -0.05 0.00 0.00 56.93 57.13 3cys s PHE 8 Cb -0.01 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 3cys s PHE 8 CO -0.02 -0.81 0.30 0.34 -0.05 0.00 0.00 175.22 174.98 3cys s ASP 9 N -2.71 6.50 -0.21 1.98 2.15 -0.00 -2.72 116.67 121.65 3cys s ASP 9 Ca 0.02 0.57 -0.04 0.00 0.43 0.00 0.00 52.55 53.53 3cys s ASP 9 Cb -0.01 -2.09 -0.01 0.00 -0.30 0.00 0.00 42.92 40.51 3cys s ASP 9 CO -0.12 0.19 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.40 3cys s ILE 10 N -1.41 3.46 -0.17 4.11 1.09 -1.16 -2.59 121.20 124.53 3cys s ILE 10 Ca 0.32 -0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.37 3cys s ILE 10 Cb -0.13 -2.56 -0.02 0.00 -1.06 0.00 0.00 42.46 38.69 3cys s ILE 10 CO 0.19 0.43 -0.07 0.00 -0.10 0.00 0.00 174.94 175.40 3cys s ALA 11 N 1.28 2.82 -0.56 9.38 0.00 0.58 -0.78 121.76 134.48 3cys s ALA 11 Ca 0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 3cys s ALA 11 Cb -0.14 -1.50 0.14 0.00 0.00 0.00 0.00 23.12 21.61 3cys s ALA 11 CO -0.01 0.01 0.48 0.08 0.00 0.00 0.00 175.76 176.31 3cys s VAL 12 N 0.74 4.81 -0.38 0.00 1.01 0.23 -1.66 120.40 125.15 3cys s VAL 12 Ca -0.03 -1.84 -0.18 0.00 0.00 0.00 0.00 61.98 59.93 3cys s VAL 12 Cb -0.15 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.16 3cys s VAL 12 CO 0.02 -0.86 0.47 0.47 0.00 0.00 0.00 175.10 175.20 3cys n ASP 13 N 4.82 -7.27 -4.20 3.32 8.00 -1.04 -3.08 116.55 117.11 3cys n ASP 13 Ca -0.06 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.59 3cys n ASP 13 Cb 0.41 -4.18 -0.02 0.00 -0.02 0.00 0.00 41.12 37.31 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cys n GLY 14 N 0.02 -0.44 3.35 0.44 0.00 -1.26 -4.92 105.19 102.38 3cys n GLY 14 Ca 0.04 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3cys n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cys s GLU 15 N -6.90 0.40 -0.23 1.61 2.12 -1.18 -5.13 118.70 109.39 3cys s GLU 15 Ca 0.70 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.80 3cys s GLU 15 Cb -0.38 0.33 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 3cys s GLU 15 CO 0.92 -0.22 1.31 -1.25 -0.54 0.00 0.00 175.26 175.48 3cys s PRO 16 N 2.36 4.05 0.05 4.30 0.04 -1.26 0.78 135.00 145.32 3cys s PRO 16 Ca -0.04 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 3cys s PRO 16 Cb -0.11 -3.84 -0.27 0.00 0.04 0.00 0.00 34.50 30.32 3cys s PRO 16 CO -0.14 -0.95 1.11 1.25 0.04 0.00 0.00 177.00 178.31 3cys h LEU 17 N 10.42 0.83 0.00 -3.56 5.85 -1.32 -3.48 115.31 124.05 3cys h LEU 17 Ca -0.27 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.65 3cys h LEU 17 Cb 1.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3cys h LEU 17 CO 1.00 1.54 0.00 0.61 -0.34 0.00 0.00 178.44 181.26 3cys n GLY 18 N 1.30 0.37 3.86 3.75 0.00 -1.24 -5.03 105.19 108.19 3cys n GLY 18 Ca -0.13 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.97 3.70 -0.01 1.61 6.06 -1.26 -3.00 118.95 124.08 3cys s ARG 19 Ca 0.00 0.17 0.04 0.00 -2.50 0.00 0.00 55.73 53.44 3cys s ARG 19 Cb 0.00 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.79 3cys s ARG 19 CO 0.00 0.73 -0.13 0.08 -2.50 0.00 0.00 175.30 173.48 3cys s VAL 20 N -1.05 1.06 0.18 7.11 1.01 -1.10 -4.55 120.40 123.06 3cys s VAL 20 Ca 0.20 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3cys s VAL 20 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3cys s VAL 20 CO 0.09 0.30 -0.17 -0.94 0.00 0.00 0.00 175.10 174.38 3cys s SER 21 N -0.25 3.83 0.09 3.32 1.04 -0.99 -1.75 113.70 119.00 3cys s SER 21 Ca 0.04 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 3cys s SER 21 Cb -0.06 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 3cys s SER 21 CO -0.00 0.12 0.07 -0.36 0.98 0.00 0.00 173.24 174.05 3cys s PHE 22 N -1.64 0.54 0.08 5.02 0.40 0.24 -0.35 117.98 122.27 3cys s PHE 22 Ca 0.22 -1.00 0.06 0.00 -0.60 0.00 0.00 56.93 55.62 3cys s PHE 22 Cb -0.09 -0.32 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 3cys s PHE 22 CO 0.12 -0.49 -0.16 -1.83 0.70 0.00 0.00 175.22 173.56 3cys s GLU 23 N -3.95 0.92 0.34 0.44 -1.05 -0.76 -0.44 118.70 114.21 3cys s GLU 23 Ca 0.13 -1.01 0.07 0.00 -0.15 0.00 0.00 54.97 54.01 3cys s GLU 23 Cb 0.07 -1.01 -0.02 0.00 -0.44 0.00 0.00 34.13 32.72 3cys s GLU 23 CO -0.06 0.23 0.36 -0.51 0.95 0.00 0.00 175.26 176.23 3cys s LEU 24 N -1.76 3.71 -0.75 1.83 2.01 -1.24 -1.64 118.68 120.85 3cys s LEU 24 Ca 0.01 -0.41 0.04 0.00 0.01 0.00 0.00 54.13 53.77 3cys s LEU 24 Cb -0.10 -2.39 0.26 0.00 0.01 0.00 0.00 46.19 43.98 3cys s LEU 24 CO 0.03 -0.40 0.91 0.49 1.01 0.00 0.00 176.35 178.39 3cys n PHE 25 N -1.48 3.35 0.24 0.29 3.72 -0.90 -4.73 117.46 117.95 3cys n PHE 25 Ca -0.01 -3.80 0.13 0.00 -0.05 0.00 0.00 57.45 53.72 3cys n PHE 25 Cb 0.59 -0.73 0.53 0.00 -0.94 0.00 0.00 39.48 38.93 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 4.52 1.01 -0.87 4.37 0.00 -1.87 0.14 119.26 126.56 3cys h ALA 26 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cys h ALA 26 Cb 0.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3cys h ALA 26 CO 0.95 0.15 0.53 0.22 0.00 0.00 0.00 179.25 181.10 3cys h ASP 27 N 0.00 1.04 0.00 0.00 3.58 -1.99 -3.01 116.42 116.04 3cys h ASP 27 Ca -0.00 -0.06 -0.39 0.00 0.42 0.00 0.00 57.03 57.00 3cys h ASP 27 Cb 0.67 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 3cys h ASP 27 CO 0.02 0.80 -2.41 0.29 -2.88 0.00 0.00 179.24 175.05 3cys n LYS 28 N -4.42 0.59 -3.51 0.28 5.02 -1.07 -4.81 118.16 110.24 3cys n LYS 28 Ca 0.09 0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 3cys n LYS 28 Cb 0.05 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.49 0.74 0.18 -0.18 -7.23 0.47 -4.94 120.40 106.96 3cys s VAL 29 Ca -0.34 -2.64 0.11 0.00 -1.81 0.00 0.00 61.98 57.30 3cys s VAL 29 Cb 0.10 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3cys s VAL 29 CO 0.53 -1.12 1.53 1.55 -0.31 0.00 0.00 175.10 177.29 3cys h PRO 30 N 6.02 0.00 0.01 4.82 0.13 -1.67 -2.87 132.00 138.44 3cys h PRO 30 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3cys h PRO 30 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3cys h PRO 30 CO 0.40 0.67 -0.00 -0.22 -0.23 0.00 0.00 178.00 178.62 3cys h LYS 31 N 0.00 -0.01 -0.56 0.86 3.64 -1.92 0.31 116.57 118.90 3cys h LYS 31 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3cys h LYS 31 Cb 1.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 3cys h LYS 31 CO 0.09 0.33 0.15 1.15 -2.27 0.00 0.00 179.45 178.90 3cys h THR 32 N -0.35 1.22 -0.35 1.00 2.02 -1.95 -1.69 112.91 112.81 3cys h THR 32 Ca -0.00 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 3cys h THR 32 Cb 0.35 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3cys h THR 32 CO 0.00 0.30 -0.13 0.00 0.37 0.00 0.00 175.52 176.06 3cys h ALA 33 N 1.35 1.11 -0.20 6.16 0.00 -1.27 -2.96 119.26 123.45 3cys h ALA 33 Ca 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3cys h ALA 33 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3cys h ALA 33 CO -0.00 0.55 0.11 1.49 0.00 0.00 0.00 179.25 181.40 3cys h GLU 34 N 0.57 0.22 -2.44 0.00 4.57 0.54 0.53 114.58 118.57 3cys h GLU 34 Ca 0.10 -0.01 -0.45 0.00 -1.18 0.00 0.00 59.36 57.81 3cys h GLU 34 Cb 0.56 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 3cys h GLU 34 CO 0.04 0.15 1.59 -1.71 -1.18 0.00 0.00 179.01 177.89 3cys n ASN 35 N -4.99 6.98 0.00 1.04 5.15 -0.94 -3.04 115.26 119.47 3cys n ASN 35 Ca -0.03 -2.63 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 3cys n ASN 35 Cb 0.04 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 3cys n ASN 35 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3cys n PHE 36 N 2.72 -0.80 -0.32 1.20 -0.00 -1.06 -4.89 117.46 114.31 3cys n PHE 36 Ca 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 58.02 3cys n PHE 36 Cb 0.56 0.16 0.10 0.00 -0.00 0.00 0.00 39.48 40.29 3cys n PHE 36 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3cys h ARG 37 N 0.00 1.09 -0.66 -4.13 9.65 -0.92 -0.89 114.38 118.52 3cys h ARG 37 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3cys h ARG 37 Cb 0.00 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.30 3cys h ARG 37 CO 0.00 0.72 0.42 0.00 2.80 0.00 0.00 179.97 183.91 3cys h ALA 38 N 1.33 1.49 0.00 2.80 0.00 -1.77 -1.64 119.26 121.48 3cys h ALA 38 Ca 0.33 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3cys h ALA 38 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3cys h ALA 38 CO -0.09 0.46 -0.58 -0.07 0.00 0.00 0.00 179.25 178.97 3cys h LEU 39 N 0.91 0.00 0.25 0.00 3.38 -1.66 0.71 115.31 118.89 3cys h LEU 39 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3cys h LEU 39 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3cys h LEU 39 CO -0.05 0.49 -0.12 0.28 0.09 0.00 0.00 178.44 179.13 3cys h SER 40 N 0.00 -0.28 1.01 -0.43 0.02 -0.22 -3.10 113.55 110.55 3cys h SER 40 Ca -0.02 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3cys h SER 40 Cb 1.39 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.00 3cys h SER 40 CO 0.06 0.02 -0.65 0.00 -1.14 0.00 0.00 176.83 175.12 3cys h THR 41 N -0.60 0.00 0.00 -2.27 1.03 -1.54 -3.19 112.91 106.33 3cys h THR 41 Ca -0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 3cys h THR 41 Cb 0.43 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 3cys h THR 41 CO 0.06 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.18 3cys n GLY 42 N 1.28 2.35 3.44 2.99 0.00 0.25 -4.83 105.19 110.66 3cys n GLY 42 Ca 0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 3cys n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cys n GLU 43 N 0.00 -0.66 0.00 1.61 0.28 -1.23 -4.14 120.64 116.50 3cys n GLU 43 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 3cys n GLU 43 Cb 0.00 -0.57 0.00 0.00 1.43 0.00 0.00 31.44 32.30 3cys n GLU 43 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3cys n LYS 44 N -1.91 0.00 0.00 3.44 5.02 -1.26 -4.98 118.16 118.46 3cys n LYS 44 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3cys n LYS 44 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cys n GLY 45 N 0.00 1.70 0.55 0.72 0.00 -1.26 -5.10 105.19 101.81 3cys n GLY 45 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.14 0.00 1.61 -1.74 -1.26 -5.05 117.46 110.89 3cys n PHE 46 Ca 0.00 -0.37 0.00 0.00 -0.56 0.00 0.00 57.45 56.52 3cys n PHE 46 Cb 0.00 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 40.95 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 4.08 2.02 5.00 4.97 0.00 -1.26 -4.22 105.19 115.77 3cys n GLY 47 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 2.51 0.00 -1.82 1.61 4.02 -1.24 -4.57 117.16 117.66 3cys n TYR 48 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 3cys n TYR 48 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 3cys n TYR 48 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3cys s LYS 49 N 0.00 1.81 0.00 -0.72 2.20 -1.26 -3.97 119.74 117.80 3cys s LYS 49 Ca 0.00 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3cys s LYS 49 Cb 0.00 -5.08 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 3cys s LYS 49 CO 0.00 -4.71 0.00 0.41 -0.36 0.00 0.00 175.35 170.69 3cys n GLY 50 N 6.09 -1.25 0.54 5.54 0.00 -1.26 -4.96 105.19 109.89 3cys n GLY 50 Ca 0.43 0.55 0.07 0.00 0.00 0.00 0.00 46.02 47.07 3cys n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 51 N 0.00 -3.09 -2.72 1.61 7.64 -1.25 -4.68 113.62 111.12 3cys n SER 51 Ca 0.00 0.48 -0.05 0.00 1.01 0.00 0.00 58.87 60.32 3cys n SER 51 Cb 0.00 -1.83 0.04 0.00 -1.01 0.00 0.00 64.21 61.41 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys s PHE 53 N 0.75 0.09 0.00 0.00 -0.12 -1.14 -3.48 117.98 114.08 3cys s PHE 53 Ca 0.28 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3cys s PHE 53 Cb 0.12 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3cys s PHE 53 CO -0.11 -0.41 0.00 0.72 -0.05 0.00 0.00 175.22 175.37 3cys n HIS 54 N 0.74 -0.56 -3.72 3.49 8.25 -1.26 -4.13 115.22 118.04 3cys n HIS 54 Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 3cys n HIS 54 Cb 0.59 0.11 -0.12 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.40 0.28 -0.08 -0.41 0.52 -1.26 -4.87 118.95 112.72 3cys s ARG 55 Ca 0.00 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 55.84 3cys s ARG 55 Cb 0.00 -0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.41 3cys s ARG 55 CO 0.00 -0.16 -0.08 0.42 0.02 0.00 0.00 175.30 175.50 3cys s ILE 56 N 1.28 0.92 -0.07 1.52 1.01 -1.26 -4.21 121.20 120.39 3cys s ILE 56 Ca -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3cys s ILE 56 Cb -0.09 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3cys s ILE 56 CO -0.10 0.33 -0.11 -0.63 0.00 0.00 0.00 174.94 174.43 3cys s ILE 57 N 1.23 1.08 -0.06 2.92 1.01 -1.24 -3.07 121.20 123.06 3cys s ILE 57 Ca -0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3cys s ILE 57 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3cys s ILE 57 CO -0.02 0.34 1.23 -2.16 0.00 0.00 0.00 174.94 174.33 3cys s PRO 58 N 0.76 4.33 -0.20 2.79 0.04 -1.26 -3.49 135.00 137.98 3cys s PRO 58 Ca -0.13 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 3cys s PRO 58 Cb -0.15 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.80 3cys s PRO 58 CO 0.03 -0.49 0.16 0.41 0.04 0.00 0.00 177.00 177.15 3cys n GLY 59 N 3.42 0.36 2.09 0.56 0.00 -1.26 -4.93 105.19 105.43 3cys n GLY 59 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 -3.20 -3.55 1.61 7.35 -1.23 -5.01 117.46 111.78 3cys n PHE 60 Ca -0.04 0.69 -0.06 0.00 -0.76 0.00 0.00 57.45 57.27 3cys n PHE 60 Cb 0.53 1.93 -0.02 0.00 0.35 0.00 0.00 39.48 42.27 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 -1.45 0.59 0.23 -4.13 0.23 -1.24 -3.05 119.30 110.49 3cys s MET 61 Ca 0.00 -0.22 0.11 0.00 -1.03 0.00 0.00 55.69 54.55 3cys s MET 61 Cb 0.00 0.27 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 3cys s MET 61 CO 0.00 -0.26 -0.21 0.00 -2.03 0.00 0.00 175.02 172.52 3cys s GLN 63 N -3.14 1.21 0.00 0.00 1.03 -1.26 0.68 119.66 118.18 3cys s GLN 63 Ca 0.25 -0.74 0.00 0.00 0.04 0.00 0.00 55.36 54.91 3cys s GLN 63 Cb -0.06 0.37 0.00 0.00 0.03 0.00 0.00 33.01 33.35 3cys s GLN 63 CO 0.12 -0.56 0.00 0.41 -2.54 0.00 0.00 175.29 172.72 3cys n GLY 64 N -0.60 3.60 0.00 2.60 0.00 -1.24 -4.66 105.19 104.89 3cys n GLY 64 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.02 -0.81 3.79 -0.02 0.00 -1.26 -4.46 105.19 101.42 3cys n GLY 65 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 3cys n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3cys s ASP 66 N 0.00 7.28 -0.30 1.61 -4.77 -1.26 -4.47 116.67 114.77 3cys s ASP 66 Ca 0.00 1.71 -0.04 0.00 -3.30 0.00 0.00 52.55 50.91 3cys s ASP 66 Cb 0.00 -2.53 0.19 0.00 -1.09 0.00 0.00 42.92 39.49 3cys s ASP 66 CO 0.00 -0.01 0.85 0.12 0.70 0.00 0.00 175.17 176.83 3cys s PHE 67 N -1.53 -1.07 -0.02 2.11 5.36 -1.26 -4.69 117.98 116.86 3cys s PHE 67 Ca 0.47 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3cys s PHE 67 Cb -0.19 0.21 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 3cys s PHE 67 CO 0.24 -0.62 0.00 -2.37 -1.46 0.00 0.00 175.22 171.00 3cys n THR 68 N 5.28 0.00 0.00 0.12 5.66 -1.26 -1.77 114.28 122.32 3cys n THR 68 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3cys n THR 68 Cb 0.55 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 -2.97 0.00 -1.68 1.09 0.63 -1.26 -4.87 116.66 107.60 3cys n ARG 69 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3cys n ARG 69 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 3cys n ARG 69 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3cys n HIS 70 N -2.48 -2.58 0.00 -0.14 8.25 -1.26 -4.49 115.22 112.52 3cys n HIS 70 Ca 0.00 1.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.99 3cys n HIS 70 Cb 0.00 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.13 3cys n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3cys n ASN 71 N 0.98 0.00 -2.46 0.41 5.15 -1.26 -4.72 115.26 113.36 3cys n ASN 71 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 3cys n ASN 71 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 72 N 0.00 3.65 3.63 8.20 0.00 -1.26 -4.76 105.19 114.65 3cys n GLY 72 Ca 0.00 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 2.38 -3.64 -0.08 2.61 -2.24 -1.26 -4.92 114.28 107.13 3cys n THR 73 Ca 0.53 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 62.25 3cys n THR 73 Cb 0.67 -3.27 -0.05 0.00 -2.10 0.00 0.00 70.33 65.58 3cys n THR 73 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3cys h GLY 74 N 1.11 0.00 -7.16 3.38 0.00 -1.86 -3.44 103.07 95.09 3cys h GLY 74 Ca -0.60 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.19 3cys h GLY 74 CO 0.29 0.00 1.65 0.61 0.00 0.00 0.00 176.54 179.09 3cys n GLY 75 N 1.58 -0.15 3.86 4.60 0.00 -0.73 -4.81 105.19 109.53 3cys n GLY 75 Ca -0.14 0.99 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 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 8.22 3.68 0.87 1.61 1.02 -1.26 -4.09 119.74 129.78 3cys s LYS 76 Ca 1.21 0.83 -0.12 0.00 0.02 0.00 0.00 55.97 57.91 3cys s LYS 76 Cb -0.93 -2.09 0.11 0.00 -0.52 0.00 0.00 37.83 34.40 3cys s LYS 76 CO 0.44 -0.50 1.14 -1.54 -0.92 0.00 0.00 175.35 173.97 3cys s SER 77 N -3.79 3.93 0.00 2.83 1.04 -1.07 -4.83 113.70 111.82 3cys s SER 77 Ca 0.57 0.98 0.26 0.00 0.48 0.00 0.00 55.95 58.23 3cys s SER 77 Cb -0.11 -1.56 0.71 0.00 0.10 0.00 0.00 66.02 65.16 3cys s SER 77 CO 0.46 -2.29 1.56 2.30 0.98 0.00 0.00 173.24 176.25 3cys n ILE 78 N -3.59 0.00 0.97 -1.02 -5.35 -1.26 -3.12 119.36 105.98 3cys n ILE 78 Ca 0.07 -0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.66 3cys n ILE 78 Cb 0.59 0.06 0.12 0.00 -1.74 0.00 0.00 39.64 38.67 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 -1.48 0.02 0.00 4.28 4.01 -1.26 -5.03 117.16 117.70 3cys n TYR 79 Ca 0.06 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3cys n TYR 79 Cb 0.34 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.49 -0.67 0.04 2.72 0.00 -1.18 -4.91 105.19 102.68 3cys n GLY 80 Ca 0.05 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 0.58 -4.53 1.61 2.13 -1.26 -3.00 120.64 116.17 3cys n GLU 81 Ca 0.00 0.04 -0.28 0.00 0.66 0.00 0.00 57.16 57.58 3cys n GLU 81 Cb 0.00 -1.15 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 3cys n GLU 81 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3cys n LYS 82 N -2.65 0.62 -3.47 5.31 5.02 -1.26 -2.59 118.16 119.14 3cys n LYS 82 Ca -0.13 -3.59 -0.11 0.00 -2.02 0.00 0.00 58.31 52.46 3cys n LYS 82 Cb 0.65 1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 37.29 3cys n LYS 82 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3cys s PHE 83 N -3.04 -0.47 1.20 2.13 -0.71 -1.01 -4.63 117.98 111.45 3cys s PHE 83 Ca 0.15 0.26 -0.14 0.00 -1.04 0.00 0.00 56.93 56.16 3cys s PHE 83 Cb 0.01 0.57 0.30 0.00 -1.21 0.00 0.00 43.02 42.68 3cys s PHE 83 CO 0.11 -0.81 1.02 -1.21 -1.34 0.00 0.00 175.22 172.98 3cys s GLU 84 N -3.62 -1.19 0.23 1.99 8.01 -1.25 -3.44 118.70 119.43 3cys s GLU 84 Ca 0.03 0.71 0.05 0.00 0.01 0.00 0.00 54.97 55.77 3cys s GLU 84 Cb -0.01 -1.53 -0.03 0.00 -4.31 0.00 0.00 34.13 28.24 3cys s GLU 84 CO -0.11 -3.87 0.31 0.34 0.01 0.00 0.00 175.26 171.94 3cys s ASP 85 N -2.62 6.12 0.00 -0.19 2.15 -1.26 -4.86 116.67 116.01 3cys s ASP 85 Ca 0.68 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.66 3cys s ASP 85 Cb -0.24 -1.75 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 3cys s ASP 85 CO 0.64 -0.05 0.00 -0.62 -0.17 0.00 0.00 175.17 174.97 3cys n GLU 86 N -1.28 0.00 -3.61 4.34 -0.58 -1.26 -5.02 120.64 113.24 3cys n GLU 86 Ca -0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3cys n GLU 86 Cb 0.57 -0.12 -0.01 0.00 -0.57 0.00 0.00 31.44 31.31 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3cys s ASN 87 N -1.00 -0.07 -0.57 1.62 2.20 -1.26 -5.04 114.94 110.82 3cys s ASN 87 Ca 0.00 -0.06 0.01 0.00 -0.94 0.00 0.00 52.86 51.87 3cys s ASN 87 Cb 0.00 0.12 0.43 0.00 -2.00 0.00 0.00 41.25 39.80 3cys s ASN 87 CO 0.00 -0.21 1.71 0.49 -2.94 0.00 0.00 177.10 176.15 3cys n PHE 88 N -0.31 3.08 -0.27 1.54 3.72 -1.26 -4.62 117.46 119.34 3cys n PHE 88 Ca -0.04 -2.71 -0.04 0.00 -0.05 0.00 0.00 57.45 54.61 3cys n PHE 88 Cb 0.61 -0.98 0.07 0.00 -0.94 0.00 0.00 39.48 38.24 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 1.63 1.16 -4.01 4.37 2.04 -1.95 -3.43 117.51 117.33 3cys h ILE 89 Ca 0.51 -0.34 -0.46 0.00 1.00 0.00 0.00 64.86 65.57 3cys h ILE 89 Cb 0.90 0.10 0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3cys h ILE 89 CO 1.27 0.18 0.28 -0.76 0.00 0.00 0.00 178.15 179.12 3cys s LEU 90 N -10.15 2.78 0.00 1.44 1.02 -1.26 -5.10 118.68 107.40 3cys s LEU 90 Ca -0.13 0.60 0.04 0.00 0.02 0.00 0.00 54.13 54.66 3cys s LEU 90 Cb 0.15 -3.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.11 3cys s LEU 90 CO 0.78 -1.62 0.13 1.17 0.02 0.00 0.00 176.35 176.84 3cys n LYS 91 N -3.00 0.48 -3.41 1.70 4.81 -1.26 -4.74 118.16 112.75 3cys n LYS 91 Ca 0.08 -2.12 -0.45 0.00 -0.87 0.00 0.00 58.31 54.95 3cys n LYS 91 Cb 0.60 1.44 -0.04 0.00 0.02 0.00 0.00 35.03 37.05 3cys n LYS 91 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cys s HIS 92 N -2.68 3.63 0.34 5.64 3.76 -1.26 -4.89 115.29 119.84 3cys s HIS 92 Ca 0.19 -2.04 0.10 0.00 -0.15 0.00 0.00 55.06 53.16 3cys s HIS 92 Cb 0.01 -3.70 0.60 0.00 1.11 0.00 0.00 32.58 30.61 3cys s HIS 92 CO 0.13 -0.97 1.77 1.79 -0.85 0.00 0.00 174.74 176.62 3cys h THR 93 N 5.05 1.29 0.00 1.30 1.35 -1.94 -3.44 112.91 116.52 3cys h THR 93 Ca 0.03 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3cys h THR 93 Cb 1.03 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3cys h THR 93 CO 0.78 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 3cys n GLY 94 N -0.35 -0.32 3.79 5.82 0.00 -1.26 -4.91 105.19 107.96 3cys n GLY 94 Ca -0.02 -0.64 -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 -2.00 3.98 0.00 1.61 0.04 -1.24 -3.99 135.00 133.40 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 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3cys s PRO 95 CO 0.00 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3cys n GLY 96 N 0.06 0.99 3.19 0.56 0.00 0.09 -4.90 105.19 105.18 3cys n GLY 96 Ca 0.07 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.20 1.75 -0.38 -0.61 -1.09 -1.21 -1.41 121.20 116.04 3cys s ILE 97 Ca 0.00 -0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 57.40 3cys s ILE 97 Cb 0.00 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 3cys s ILE 97 CO 0.00 0.49 0.27 -0.22 -1.23 0.00 0.00 174.94 174.25 3cys s LEU 98 N 0.04 4.86 0.29 2.97 0.20 -0.22 -0.19 118.68 126.63 3cys s LEU 98 Ca -0.06 -0.74 0.11 0.00 0.69 0.00 0.00 54.13 54.12 3cys s LEU 98 Cb -0.14 -2.14 -0.05 0.00 -0.43 0.00 0.00 46.19 43.44 3cys s LEU 98 CO 0.04 -0.37 -0.11 -0.44 -0.29 0.00 0.00 176.35 175.18 3cys s SER 99 N 1.68 3.95 0.04 3.68 0.01 0.21 -3.16 113.70 120.11 3cys s SER 99 Ca 0.05 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 3cys s SER 99 Cb -0.18 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 3cys s SER 99 CO 0.10 -0.02 0.19 -0.32 0.41 0.00 0.00 173.24 173.60 3cys s MET 100 N -3.59 3.40 -0.01 12.44 1.75 0.12 -1.07 119.30 132.35 3cys s MET 100 Ca 0.31 -0.42 0.08 0.00 -1.25 0.00 0.00 55.69 54.41 3cys s MET 100 Cb -0.04 -3.04 -0.02 0.00 2.84 0.00 0.00 34.83 34.57 3cys s MET 100 CO 0.17 0.63 -0.25 0.00 -0.65 0.00 0.00 175.02 174.92 3cys s ALA 101 N -1.44 2.04 -0.07 4.11 0.00 -1.25 -4.15 121.76 121.00 3cys s ALA 101 Ca 0.32 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 3cys s ALA 101 Cb -0.13 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.53 3cys s ALA 101 CO 0.25 0.50 0.48 0.54 0.00 0.00 0.00 175.76 177.53 3cys s ASN 102 N -0.64 -0.43 -0.35 0.00 2.20 -1.26 -4.55 114.94 109.90 3cys s ASN 102 Ca 0.10 0.54 0.09 0.00 -0.94 0.00 0.00 52.86 52.65 3cys s ASN 102 Cb -0.09 0.58 0.73 0.00 -2.00 0.00 0.00 41.25 40.47 3cys s ASN 102 CO -0.01 -0.42 1.83 0.00 -2.94 0.00 0.00 177.10 175.56 3cys n ALA 103 N 1.58 4.81 0.00 3.54 0.00 -1.24 -4.96 120.51 124.23 3cys n ALA 103 Ca -0.19 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.78 3cys n ALA 103 Cb 0.56 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3cys n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cys n GLY 104 N -0.37 0.14 3.74 0.00 0.00 -1.26 -5.04 105.19 102.40 3cys n GLY 104 Ca 0.45 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3cys n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 105 N -2.00 4.57 0.00 1.61 0.04 -1.26 -2.91 135.00 135.05 3cys s PRO 105 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3cys s PRO 105 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3cys s PRO 105 CO 0.00 0.04 0.00 0.27 0.04 0.00 0.00 177.00 177.35 3cys n ASN 106 N 2.42 -1.24 -3.89 6.66 6.94 -1.26 -4.88 115.26 120.01 3cys n ASN 106 Ca 0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.22 3cys n ASN 106 Cb 0.46 -1.40 -0.03 0.00 -2.36 0.00 0.00 39.78 36.44 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3cys n THR 107 N -2.14 3.95 -4.08 5.53 -1.04 -1.15 -3.75 114.28 111.60 3cys n THR 107 Ca 0.00 -5.52 -0.33 0.00 -2.04 0.00 0.00 64.05 56.16 3cys n THR 107 Cb 0.07 -2.19 -0.16 0.00 -1.82 0.00 0.00 70.33 66.23 3cys n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3cys s ASN 108 N -1.39 3.44 0.00 8.00 0.01 -1.22 -3.69 114.94 120.09 3cys s ASN 108 Ca 0.33 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 3cys s ASN 108 Cb 0.04 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.17 3cys s ASN 108 CO 0.01 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 3cys n GLY 109 N 4.64 1.16 0.36 0.66 0.00 -1.26 -2.40 105.19 108.35 3cys n GLY 109 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.86 0.00 -4.67 1.61 3.41 -1.26 -3.82 113.62 108.03 3cys n SER 110 Ca 0.00 0.00 -0.63 0.00 -0.26 0.00 0.00 58.87 57.98 3cys n SER 110 Cb 0.00 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cys n GLN 111 N -1.50 0.28 -4.33 4.33 3.00 -1.26 -4.93 117.38 112.97 3cys n GLN 111 Ca 0.00 0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 3cys n GLN 111 Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 30.24 28.51 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3cys s PHE 112 N 2.11 2.60 -0.11 1.08 -0.12 -1.26 -3.97 117.98 118.31 3cys s PHE 112 Ca 0.99 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.63 3cys s PHE 112 Cb -1.33 -1.18 0.02 0.00 -0.63 0.00 0.00 43.02 39.91 3cys s PHE 112 CO 0.70 0.61 -0.10 -0.06 -0.05 0.00 0.00 175.22 176.32 3cys s PHE 113 N -2.19 1.60 -0.15 3.49 0.40 -0.23 -3.65 117.98 117.24 3cys s PHE 113 Ca 0.29 -0.77 -0.17 0.00 -0.60 0.00 0.00 56.93 55.68 3cys s PHE 113 Cb -0.07 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 3cys s PHE 113 CO 0.18 -0.48 0.46 0.42 0.70 0.00 0.00 175.22 176.49 3cys s ILE 114 N 1.40 5.18 0.00 0.64 1.01 0.21 -0.62 121.20 129.03 3cys s ILE 114 Ca -0.00 0.87 -0.21 0.00 0.00 0.00 0.00 60.65 61.31 3cys s ILE 114 Cb -0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3cys s ILE 114 CO -0.05 0.29 0.62 0.00 0.00 0.00 0.00 174.94 175.79 3cys n THR 116 N 2.75 2.26 -3.78 0.00 -2.24 -1.17 -0.73 114.28 111.37 3cys n THR 116 Ca -0.06 -2.48 0.00 0.00 -2.27 0.00 0.00 64.05 59.25 3cys n THR 116 Cb 0.51 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.04 -2.13 -1.18 6.98 0.00 -1.25 -4.66 121.76 116.48 3cys s ALA 117 Ca 0.40 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 3cys s ALA 117 Cb 0.35 0.60 0.13 0.00 0.00 0.00 0.00 23.12 24.21 3cys s ALA 117 CO 0.02 -1.08 1.47 0.21 0.00 0.00 0.00 175.76 176.38 3cys s LYS 118 N -2.38 3.96 -0.81 0.00 2.20 -1.26 -3.73 119.74 117.72 3cys s LYS 118 Ca 0.19 -2.22 -0.20 0.00 -0.36 0.00 0.00 55.97 53.39 3cys s LYS 118 Cb 0.01 -5.18 0.11 0.00 -1.51 0.00 0.00 37.83 31.27 3cys s LYS 118 CO -0.01 -1.92 1.01 0.95 -0.36 0.00 0.00 175.35 175.02 3cys s THR 119 N 2.64 4.67 -1.55 3.43 -4.23 -1.26 -4.83 115.64 114.51 3cys s THR 119 Ca 0.44 -1.21 0.25 0.00 -1.18 0.00 0.00 61.69 59.99 3cys s THR 119 Cb -0.01 -4.70 0.09 0.00 1.34 0.00 0.00 72.50 69.22 3cys s THR 119 CO -0.00 -1.42 1.36 -1.84 -0.54 0.00 0.00 174.62 172.17 3cys n GLU 120 N 6.72 0.62 -0.28 3.99 0.28 -1.26 -3.45 120.64 127.25 3cys n GLU 120 Ca 0.11 -0.42 0.09 0.00 -0.16 0.00 0.00 57.16 56.78 3cys n GLU 120 Cb 0.47 -1.49 0.25 0.00 1.43 0.00 0.00 31.44 32.10 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 -0.82 0.75 -0.01 -1.84 2.14 -1.26 -3.38 117.44 113.02 3cys n TRP 121 Ca 0.09 -0.37 0.02 0.00 2.07 0.00 0.00 57.50 59.31 3cys n TRP 121 Cb 0.37 -0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.92 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 1.13 2.13 0.12 5.67 4.77 -1.22 -4.70 117.00 124.89 3cys n LEU 122 Ca 0.19 -1.75 -0.08 0.00 -0.03 0.00 0.00 56.01 54.34 3cys n LEU 122 Cb 0.47 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3cys n LEU 122 CO 0.13 0.52 0.22 -0.78 -1.33 0.00 0.00 177.39 176.15 3cys h ASP 123 N 0.84 -0.33 -0.40 -1.43 3.58 -1.75 -2.95 116.42 113.98 3cys h ASP 123 Ca 0.00 -0.07 -0.70 0.00 0.42 0.00 0.00 57.03 56.68 3cys h ASP 123 Cb 0.49 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 3cys h ASP 123 CO 0.00 0.14 3.31 0.61 -2.88 0.00 0.00 179.24 180.43 3cys n GLY 124 N 0.66 4.58 0.81 -0.78 0.00 -1.26 -3.30 105.19 105.90 3cys n GLY 124 Ca -0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N 3.16 0.00 -4.36 1.61 3.00 -1.26 -5.16 118.16 115.16 3cys n LYS 125 Ca 0.71 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.78 3cys n LYS 125 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.19 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3cys s HIS 126 N -1.99 2.53 -0.02 5.64 3.76 -1.11 -4.99 115.29 119.10 3cys s HIS 126 Ca 0.00 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 3cys s HIS 126 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 3cys s HIS 126 CO 0.00 0.62 0.19 0.08 -0.85 0.00 0.00 174.74 174.78 3cys s VAL 127 N -2.20 5.42 -0.12 -0.90 1.01 -1.26 -4.81 120.40 117.54 3cys s VAL 127 Ca 0.29 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3cys s VAL 127 Cb -0.07 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3cys s VAL 127 CO 0.17 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 3cys s VAL 128 N -1.28 2.02 0.00 2.92 1.01 -1.26 0.15 120.40 123.96 3cys s VAL 128 Ca 0.25 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.38 3cys s VAL 128 Cb -0.13 -1.77 0.19 0.00 0.00 0.00 0.00 36.38 34.67 3cys s VAL 128 CO 0.16 0.55 1.02 2.22 0.00 0.00 0.00 175.10 179.04 3cys n PHE 129 N 3.85 0.00 -3.59 5.22 -1.74 -1.19 -4.61 117.46 115.39 3cys n PHE 129 Ca -0.20 -0.34 0.01 0.00 -0.56 0.00 0.00 57.45 56.36 3cys n PHE 129 Cb 0.52 0.08 -0.01 0.00 1.52 0.00 0.00 39.48 41.59 3cys n PHE 129 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3cys s GLY 130 N -1.33 -0.39 0.22 4.97 0.00 -1.22 -2.12 107.32 107.46 3cys s GLY 130 Ca 0.15 1.22 -0.06 0.00 0.00 0.00 0.00 44.72 46.03 3cys s GLY 130 CO -0.07 0.32 0.29 -1.59 0.00 0.00 0.00 173.10 172.05 3cys s LYS 131 N -2.12 1.37 0.17 2.90 -2.85 -0.65 -1.05 119.74 117.51 3cys s LYS 131 Ca 0.14 -1.47 -0.19 0.00 -1.00 0.00 0.00 55.97 53.44 3cys s LYS 131 Cb 0.04 0.36 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 3cys s LYS 131 CO -0.05 -0.51 0.67 0.08 0.10 0.00 0.00 175.35 175.64 3cys s VAL 132 N -4.07 4.63 -0.47 1.79 1.01 -0.50 -1.83 120.40 120.96 3cys s VAL 132 Ca 0.31 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3cys s VAL 132 Cb 0.03 -3.88 0.15 0.00 0.00 0.00 0.00 36.38 32.69 3cys s VAL 132 CO 0.11 0.32 0.31 -0.75 0.00 0.00 0.00 175.10 175.10 3cys s LYS 133 N -1.69 1.30 0.27 2.72 2.20 0.53 -4.84 119.74 120.22 3cys s LYS 133 Ca 0.38 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.79 3cys s LYS 133 Cb -0.18 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 3cys s LYS 133 CO 0.21 -1.26 0.00 -1.91 -0.36 0.00 0.00 175.35 172.03 3cys n GLU 134 N 3.11 -2.19 0.00 4.03 2.13 -1.26 -3.69 120.64 122.76 3cys n GLU 134 Ca 0.17 1.66 0.00 0.00 0.66 0.00 0.00 57.16 59.65 3cys n GLU 134 Cb 0.39 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -1.33 0.86 0.38 8.31 0.00 -1.26 -2.34 105.19 109.80 3cys n GLY 135 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 4.11 0.64 -0.62 1.61 2.86 -1.92 0.15 114.93 121.76 3cys h MET 136 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3cys h MET 136 Cb 0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3cys h MET 136 CO 0.00 0.42 0.36 -0.91 1.06 0.00 0.00 176.91 177.85 3cys h ASN 137 N 0.66 0.74 -0.03 1.22 4.21 -1.98 0.21 115.58 120.62 3cys h ASN 137 Ca 0.49 -0.04 -0.19 0.00 1.21 0.00 0.00 56.30 57.76 3cys h ASN 137 Cb 0.86 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 3cys h ASN 137 CO -0.24 0.58 -0.67 0.40 -1.29 0.00 0.00 177.43 176.21 3cys h ILE 138 N 0.85 1.31 -0.51 2.81 5.03 -1.35 0.13 117.51 125.78 3cys h ILE 138 Ca 0.22 -1.92 -0.09 0.00 -0.12 0.00 0.00 64.86 62.95 3cys h ILE 138 Cb -0.02 1.89 -0.02 0.00 -3.03 0.00 0.00 36.82 35.65 3cys h ILE 138 CO -0.04 0.60 -0.02 0.58 -0.68 0.00 0.00 178.15 178.59 3cys h VAL 139 N 0.47 1.26 -0.24 1.67 2.07 -0.71 -2.13 116.25 118.65 3cys h VAL 139 Ca -0.02 -1.12 -0.17 0.00 0.82 0.00 0.00 66.70 66.21 3cys h VAL 139 Cb 1.26 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3cys h VAL 139 CO 0.13 0.39 -0.53 -0.08 0.02 0.00 0.00 177.57 177.51 3cys h GLU 140 N 0.79 0.70 -0.35 1.57 4.81 -0.51 -2.70 114.58 118.88 3cys h GLU 140 Ca 0.14 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3cys h GLU 140 Cb 0.55 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3cys h GLU 140 CO 0.03 1.05 0.24 0.00 -0.73 0.00 0.00 179.01 179.59 3cys h ALA 141 N 0.87 1.83 -0.48 2.92 0.00 -0.57 -1.03 119.26 122.81 3cys h ALA 141 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3cys h ALA 141 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3cys h ALA 141 CO 0.11 0.13 0.33 1.98 0.00 0.00 0.00 179.25 181.80 3cys h MET 142 N 0.40 0.15 -0.07 0.00 -1.53 -1.04 0.16 114.93 113.02 3cys h MET 142 Ca 0.14 -0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.31 3cys h MET 142 Cb 0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3cys h MET 142 CO -0.03 0.10 -0.33 0.93 0.14 0.00 0.00 176.91 177.72 3cys h GLU 143 N 0.16 0.12 -0.64 0.39 5.08 -1.27 -2.70 114.58 115.72 3cys h GLU 143 Ca 0.23 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3cys h GLU 143 Cb 0.68 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3cys h GLU 143 CO -0.03 0.44 0.21 -0.09 -1.00 0.00 0.00 179.01 178.54 3cys h ARG 144 N 0.11 0.96 0.00 2.33 1.12 -0.74 -1.62 114.38 116.54 3cys h ARG 144 Ca 0.01 -0.18 -0.05 0.00 -1.11 0.00 0.00 59.98 58.65 3cys h ARG 144 Cb 0.64 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 3cys h ARG 144 CO 0.05 0.82 -0.23 0.74 -3.11 0.00 0.00 179.97 178.24 3cys h PHE 145 N 0.93 0.00 -2.17 2.20 0.04 -1.46 -3.44 116.94 113.04 3cys h PHE 145 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 3cys h PHE 145 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3cys h PHE 145 CO 0.02 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 3cys n GLY 146 N 0.65 -0.26 3.74 -1.45 0.00 -0.61 -4.38 105.19 102.88 3cys n GLY 146 Ca 0.02 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.00 -0.09 0.17 1.61 0.01 -1.26 -4.89 113.70 108.25 3cys s SER 147 Ca 0.00 -0.33 0.25 0.00 1.31 0.00 0.00 55.95 57.18 3cys s SER 147 Cb 0.00 0.34 0.92 0.00 0.21 0.00 0.00 66.02 67.49 3cys s SER 147 CO 0.00 -0.65 1.76 -1.14 0.41 0.00 0.00 173.24 173.62 3cys n ARG 148 N -0.54 0.18 0.22 12.44 3.00 -1.26 -3.33 116.66 127.37 3cys n ARG 148 Ca -0.06 0.23 0.10 0.00 -0.00 0.00 0.00 57.85 58.12 3cys n ARG 148 Cb 0.61 -1.74 0.46 0.00 0.00 0.00 0.00 32.46 31.79 3cys n ARG 148 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 3cys h ASN 149 N 0.00 0.00 0.00 6.15 -1.07 -1.95 -3.45 115.58 115.26 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cys h ASN 149 Cb 0.56 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 3cys h ASN 149 CO 0.00 0.21 0.00 0.61 0.07 0.00 0.00 177.43 178.32 3cys n GLY 150 N 0.19 0.42 0.00 9.14 0.00 -1.21 -5.13 105.19 108.60 3cys n GLY 150 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 -1.36 1.61 2.85 -1.17 -4.88 118.16 115.20 3cys n LYS 151 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 3cys n LYS 151 Cb 0.00 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.48 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 -2.11 2.48 -1.33 0.58 -4.23 -1.26 -4.27 115.64 105.49 3cys s THR 152 Ca 0.00 0.22 0.29 0.00 -1.18 0.00 0.00 61.69 61.01 3cys s THR 152 Cb 0.00 -2.69 0.36 0.00 1.34 0.00 0.00 72.50 71.51 3cys s THR 152 CO 0.00 -0.14 1.88 -1.54 -0.54 0.00 0.00 174.62 174.27 3cys n SER 153 N -2.94 0.22 0.00 3.99 3.41 -1.26 -4.85 113.62 112.19 3cys n SER 153 Ca 0.12 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3cys n SER 153 Cb 0.51 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.26 3.51 -4.30 4.33 5.02 -1.26 -5.14 118.16 119.07 3cys n LYS 154 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 3cys n LYS 154 Cb 0.29 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.15 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cys s LYS 155 N 4.01 0.79 -0.08 1.97 1.02 -1.26 -5.10 119.74 121.09 3cys s LYS 155 Ca 0.00 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.77 3cys s LYS 155 Cb 0.00 -0.76 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 3cys s LYS 155 CO 0.00 0.09 -0.13 0.42 -0.92 0.00 0.00 175.35 174.81 3cys s ILE 156 N 0.21 3.12 -0.13 2.17 -1.09 -1.26 -2.51 121.20 121.71 3cys s ILE 156 Ca -0.03 -0.68 -0.14 0.00 -2.23 0.00 0.00 60.65 57.58 3cys s ILE 156 Cb -0.08 -2.26 0.04 0.00 -1.58 0.00 0.00 42.46 38.58 3cys s ILE 156 CO 0.00 0.57 0.38 0.42 -1.23 0.00 0.00 174.94 175.08 3cys s THR 157 N -0.34 0.00 0.03 2.92 -4.23 -0.67 -2.48 115.64 110.89 3cys s THR 157 Ca 0.03 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 3cys s THR 157 Cb -0.13 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 3cys s THR 157 CO 0.02 -0.02 1.08 -0.63 -0.54 0.00 0.00 174.62 174.54 3cys s ILE 158 N 0.09 4.46 -0.16 2.99 1.01 -1.26 -0.30 121.20 128.02 3cys s ILE 158 Ca -0.01 1.78 -0.15 0.00 0.00 0.00 0.00 60.65 62.26 3cys s ILE 158 Cb -0.03 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 3cys s ILE 158 CO 0.01 0.15 0.15 0.00 0.00 0.00 0.00 174.94 175.25 3cys h ALA 159 N 6.73 0.09 -2.30 9.38 0.00 -1.85 -3.40 119.26 127.91 3cys h ALA 159 Ca -0.41 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 53.73 3cys h ALA 159 Cb 1.22 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 19.26 3cys h ALA 159 CO 0.78 0.39 -0.62 -0.51 0.00 0.00 0.00 179.25 179.28 3cys s ASP 160 N -6.15 0.41 0.22 0.00 1.01 -1.26 -4.89 116.67 106.01 3cys s ASP 160 Ca -0.17 -0.96 -0.20 0.00 0.71 0.00 0.00 52.55 51.93 3cys s ASP 160 Cb 0.02 0.23 0.03 0.00 1.01 0.00 0.00 42.92 44.22 3cys s ASP 160 CO 0.38 -0.63 0.61 0.00 0.21 0.00 0.00 175.17 175.74 3cys n GLY 162 N -0.40 -0.65 3.12 0.00 0.00 -0.98 -4.86 105.19 101.43 3cys n GLY 162 Ca -0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.04 0.75 0.31 1.61 -2.07 -1.26 -3.79 119.66 115.16 3cys s GLN 163 Ca 0.00 -1.32 0.04 0.00 -1.82 0.00 0.00 55.36 52.26 3cys s GLN 163 Cb 0.00 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 32.07 3cys s GLN 163 CO 0.00 -0.17 0.06 -0.51 -1.32 0.00 0.00 175.29 173.34 3cys s LEU 164 N -2.98 2.14 0.00 2.60 1.43 0.13 -4.91 118.68 117.09 3cys s LEU 164 Ca 0.14 -1.37 0.22 0.00 -1.03 0.00 0.00 54.13 52.09 3cys s LEU 164 Cb 0.08 -0.35 1.29 0.00 0.03 0.00 0.00 46.19 47.24 3cys s LEU 164 CO -0.05 -0.61 1.67 -1.84 0.23 0.00 0.00 176.35 175.76