#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 -1.08 2.03 3.14 -1.26 -5.13 118.33 116.04 3cys n VAL 2 Ca 0.00 -0.67 0.02 0.00 -2.96 0.00 0.00 64.34 60.73 3cys n VAL 2 Cb 0.00 0.83 -0.01 0.00 -1.06 0.00 0.00 33.84 33.60 3cys n VAL 2 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3cys n ASN 3 N 0.34 -5.80 -2.26 6.55 4.13 -1.26 -4.97 115.26 111.98 3cys n ASN 3 Ca -0.04 1.26 0.00 0.00 1.68 0.00 0.00 54.58 57.48 3cys n ASN 3 Cb 1.00 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.99 3cys n ASN 3 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3cys n PRO 4 N -2.48 -0.49 -3.58 3.52 -0.04 -1.26 -5.04 135.00 125.63 3cys n PRO 4 Ca -0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 3cys n PRO 4 Cb 0.36 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 3cys n PRO 4 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3cys s THR 5 N -0.99 0.00 0.34 0.52 -1.32 -1.25 -4.34 115.64 108.59 3cys s THR 5 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 3cys s THR 5 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 3cys s THR 5 CO 0.00 0.00 0.08 0.68 -2.21 0.00 0.00 174.62 173.17 3cys s VAL 6 N -1.79 0.95 -0.03 5.08 -7.23 -0.63 -2.92 120.40 113.83 3cys s VAL 6 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3cys s VAL 6 Cb -0.01 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3cys s VAL 6 CO -0.04 0.00 -0.10 0.72 -0.31 0.00 0.00 175.10 175.38 3cys s PHE 7 N -3.33 1.01 -0.05 2.82 -0.71 -0.29 -2.46 117.98 114.97 3cys s PHE 7 Ca 0.33 -0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 55.95 3cys s PHE 7 Cb 0.07 -0.71 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 3cys s PHE 7 CO 0.15 -0.10 0.04 -0.06 -1.34 0.00 0.00 175.22 173.90 3cys s PHE 8 N 0.17 0.26 -0.23 3.49 0.40 -1.26 -1.72 117.98 119.10 3cys s PHE 8 Ca -0.03 0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.33 3cys s PHE 8 Cb -0.09 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 3cys s PHE 8 CO 0.01 -0.23 0.08 0.34 0.70 0.00 0.00 175.22 176.12 3cys s ASP 9 N 2.01 5.42 -0.07 1.36 -1.08 -0.74 -1.16 116.67 122.41 3cys s ASP 9 Ca 0.04 -0.08 -0.09 0.00 -0.52 0.00 0.00 52.55 51.90 3cys s ASP 9 Cb -0.12 -1.96 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 3cys s ASP 9 CO -0.04 0.04 0.23 -0.63 0.52 0.00 0.00 175.17 175.30 3cys s ILE 10 N 1.17 5.35 -0.04 4.11 -1.09 -0.63 -2.45 121.20 127.61 3cys s ILE 10 Ca 0.05 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 3cys s ILE 10 Cb -0.14 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3cys s ILE 10 CO 0.04 0.59 -0.08 0.00 -1.23 0.00 0.00 174.94 174.25 3cys s ALA 11 N -1.07 0.90 -0.39 9.38 0.00 0.16 -0.37 121.76 130.37 3cys s ALA 11 Ca 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3cys s ALA 11 Cb -0.14 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.61 3cys s ALA 11 CO 0.08 0.08 0.22 0.08 0.00 0.00 0.00 175.76 176.22 3cys s VAL 12 N 0.61 4.34 -0.25 0.00 1.01 0.22 -0.48 120.40 125.86 3cys s VAL 12 Ca -0.10 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 3cys s VAL 12 Cb -0.13 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3cys s VAL 12 CO 0.01 -0.36 0.29 -0.90 0.00 0.00 0.00 175.10 174.15 3cys n ASP 13 N 4.95 -6.60 -4.26 3.32 5.75 0.11 -2.55 116.55 117.27 3cys n ASP 13 Ca -0.11 0.39 -0.37 0.00 -0.01 0.00 0.00 54.79 54.68 3cys n ASP 13 Cb 0.44 -2.61 -0.04 0.00 -1.03 0.00 0.00 41.12 37.88 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cys n GLY 14 N 0.53 -0.44 3.02 6.12 0.00 -1.26 -4.90 105.19 108.27 3cys n GLY 14 Ca -0.01 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.96 0.16 -0.17 1.61 2.56 -1.06 -5.13 118.70 109.71 3cys s GLU 15 Ca 0.75 0.76 -0.29 0.00 0.00 0.00 0.00 54.97 56.19 3cys s GLU 15 Cb -0.42 -0.01 -0.01 0.00 2.00 0.00 0.00 34.13 35.68 3cys s GLU 15 CO 0.92 -0.28 1.29 -1.25 -0.56 0.00 0.00 175.26 175.38 3cys s PRO 16 N 2.40 4.19 -0.05 4.30 0.04 -1.26 0.70 135.00 145.32 3cys s PRO 16 Ca 0.01 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 3cys s PRO 16 Cb -0.12 -3.79 -0.31 0.00 0.04 0.00 0.00 34.50 30.32 3cys s PRO 16 CO -0.09 -0.76 0.68 1.25 0.04 0.00 0.00 177.00 178.12 3cys h LEU 17 N 9.89 0.61 0.00 -3.56 5.85 -1.07 -3.48 115.31 123.55 3cys h LEU 17 Ca -0.27 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.52 3cys h LEU 17 Cb 1.11 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3cys h LEU 17 CO 0.98 1.76 0.00 0.61 -0.34 0.00 0.00 178.44 181.45 3cys n GLY 18 N 1.84 -1.54 3.55 3.75 0.00 -1.20 -5.02 105.19 106.57 3cys n GLY 18 Ca -0.24 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.71 2.44 -0.01 1.61 3.52 -1.26 -1.60 118.95 121.93 3cys s ARG 19 Ca 0.00 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3cys s ARG 19 Cb 0.00 -2.42 -0.00 0.00 -1.56 0.00 0.00 34.95 30.97 3cys s ARG 19 CO 0.00 0.59 -0.01 0.28 -0.81 0.00 0.00 175.30 175.35 3cys n VAL 20 N 1.63 0.07 -0.37 7.11 0.31 -0.31 -4.62 118.33 122.15 3cys n VAL 20 Ca -0.16 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 3cys n VAL 20 Cb 0.52 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 3cys n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3cys n SER 21 N -2.58 -3.25 -4.31 4.52 7.64 -1.26 -3.71 113.62 110.67 3cys n SER 21 Ca -0.01 0.28 -0.23 0.00 1.01 0.00 0.00 58.87 59.92 3cys n SER 21 Cb 0.02 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 3cys n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cys s PHE 22 N -1.57 1.84 -0.48 1.43 0.08 -1.03 -2.14 117.98 116.11 3cys s PHE 22 Ca 0.00 -0.43 0.26 0.00 0.12 0.00 0.00 56.93 56.88 3cys s PHE 22 Cb 0.00 -0.97 0.83 0.00 -0.57 0.00 0.00 43.02 42.31 3cys s PHE 22 CO 0.00 0.26 1.76 0.93 -0.10 0.00 0.00 175.22 178.07 3cys h GLU 23 N 3.76 0.00 -4.03 0.44 5.08 -1.57 -1.68 114.58 116.58 3cys h GLU 23 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 3cys h GLU 23 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cys h GLU 23 CO 0.44 0.00 -0.20 1.28 -1.00 0.00 0.00 179.01 179.53 3cys n LEU 24 N -2.57 -0.36 -4.67 1.33 4.77 -1.26 -3.96 117.00 110.27 3cys n LEU 24 Ca 0.04 -0.10 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 3cys n LEU 24 Cb 0.39 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3cys n LEU 24 CO 0.28 0.04 1.51 0.49 -1.33 0.00 0.00 177.39 178.38 3cys n PHE 25 N -0.44 2.46 -1.32 -1.77 3.72 -1.22 -4.08 117.46 114.80 3cys n PHE 25 Ca -0.04 -0.15 0.05 0.00 -0.05 0.00 0.00 57.45 57.26 3cys n PHE 25 Cb 0.12 -2.72 0.19 0.00 -0.94 0.00 0.00 39.48 36.13 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cys n ALA 26 N 6.51 3.28 -0.09 4.37 0.00 -1.26 -4.50 120.51 128.82 3cys n ALA 26 Ca 0.20 -2.92 -0.21 0.00 0.00 0.00 0.00 53.44 50.51 3cys n ALA 26 Cb 0.35 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.19 3cys n ALA 26 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3cys h ASP 27 N 0.80 0.03 0.66 0.00 3.58 -1.96 -3.30 116.42 116.23 3cys h ASP 27 Ca 0.05 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 56.92 3cys h ASP 27 Cb 1.21 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 3cys h ASP 27 CO 0.12 1.48 -1.35 0.29 -2.88 0.00 0.00 179.24 176.90 3cys n LYS 28 N -4.38 0.62 -3.20 0.28 5.02 -1.26 -4.55 118.16 110.69 3cys n LYS 28 Ca -0.31 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.80 3cys n LYS 28 Cb 0.69 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3cys n LYS 28 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3cys n VAL 29 N -2.55 -0.83 0.01 -0.18 0.24 -1.26 -4.84 118.33 108.92 3cys n VAL 29 Ca -0.02 -2.93 -0.18 0.00 -2.04 0.00 0.00 64.34 59.17 3cys n VAL 29 Cb 0.57 -1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 31.85 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 5.15 0.63 -0.52 7.34 0.13 -1.80 -2.41 132.00 140.51 3cys h PRO 30 Ca 0.17 -0.62 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3cys h PRO 30 Cb 0.95 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3cys h PRO 30 CO 0.31 1.22 0.23 -0.22 -0.23 0.00 0.00 178.00 179.32 3cys h LYS 31 N 0.27 0.76 -0.33 0.86 1.63 -1.94 0.26 116.57 118.08 3cys h LYS 31 Ca -0.09 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.54 3cys h LYS 31 Cb 1.47 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 3cys h LYS 31 CO 0.16 0.65 0.01 1.15 -3.45 0.00 0.00 179.45 177.97 3cys h THR 32 N 0.70 1.25 -0.35 1.00 2.02 -1.97 -2.74 112.91 112.82 3cys h THR 32 Ca 0.18 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 3cys h THR 32 Cb 0.15 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3cys h THR 32 CO -0.02 0.31 0.01 0.00 0.37 0.00 0.00 175.52 176.19 3cys h ALA 33 N 0.86 1.38 -0.62 6.16 0.00 -1.09 -2.88 119.26 123.06 3cys h ALA 33 Ca 0.09 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3cys h ALA 33 Cb 0.43 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 3cys h ALA 33 CO 0.01 0.44 -0.14 1.49 0.00 0.00 0.00 179.25 181.05 3cys h GLU 34 N 0.52 0.01 -0.16 0.00 4.81 -0.17 0.31 114.58 119.89 3cys h GLU 34 Ca 0.11 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3cys h GLU 34 Cb 0.32 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3cys h GLU 34 CO 0.01 0.00 -0.30 -0.91 -0.73 0.00 0.00 179.01 177.08 3cys h ASN 35 N 0.01 -0.95 -0.21 1.04 4.21 -1.54 0.40 115.58 118.54 3cys h ASN 35 Ca 0.30 0.14 -0.13 0.00 1.21 0.00 0.00 56.30 57.82 3cys h ASN 35 Cb 0.46 0.41 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 3cys h ASN 35 CO -0.63 -0.34 -0.34 -0.26 -1.29 0.00 0.00 177.43 174.56 3cys h PHE 36 N -0.36 0.85 -0.19 1.19 0.04 -1.28 0.35 116.94 117.54 3cys h PHE 36 Ca 0.11 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 3cys h PHE 36 Cb 0.53 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3cys h PHE 36 CO -0.41 0.97 -0.12 -0.09 -0.60 0.00 0.00 178.31 178.06 3cys h ARG 37 N 0.61 0.31 -0.01 1.51 1.12 0.17 -0.53 114.38 117.56 3cys h ARG 37 Ca 0.06 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 3cys h ARG 37 Cb 0.87 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.79 3cys h ARG 37 CO 0.08 0.44 -0.06 0.00 -3.11 0.00 0.00 179.97 177.32 3cys h ALA 38 N 1.58 0.02 -0.70 2.80 0.00 0.37 -3.20 119.26 120.14 3cys h ALA 38 Ca 0.06 -0.36 0.12 0.00 0.00 0.00 0.00 54.91 54.73 3cys h ALA 38 Cb 0.40 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3cys h ALA 38 CO 0.02 -0.10 0.27 -0.07 0.00 0.00 0.00 179.25 179.38 3cys h LEU 39 N -0.59 0.26 -2.70 0.00 3.38 -0.74 1.19 115.31 116.10 3cys h LEU 39 Ca -0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3cys h LEU 39 Cb 0.74 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3cys h LEU 39 CO 0.01 0.12 -0.01 0.28 0.09 0.00 0.00 178.44 178.93 3cys h SER 40 N 0.43 0.00 0.00 -0.43 0.02 -1.11 -1.12 113.55 111.35 3cys h SER 40 Ca 0.37 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.22 3cys h SER 40 Cb 0.53 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.84 3cys h SER 40 CO -0.37 0.01 -0.80 1.07 -1.14 0.00 0.00 176.83 175.59 3cys n THR 41 N -3.17 0.66 0.00 -2.27 5.66 0.06 -3.04 114.28 112.18 3cys n THR 41 Ca -0.02 -1.54 0.00 0.00 -3.05 0.00 0.00 64.05 59.43 3cys n THR 41 Cb 0.11 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 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 -0.05 -2.45 5.00 1.09 0.00 0.39 -4.78 105.19 104.39 3cys n GLY 42 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.92 0.00 0.00 1.61 -0.58 -1.25 -3.29 120.64 115.21 3cys n GLU 43 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 3cys n GLU 43 Cb 0.00 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 31.44 3cys n GLU 43 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3cys n LYS 44 N 0.00 0.02 -0.53 3.49 -0.00 -1.26 -3.00 118.16 116.87 3cys n LYS 44 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 58.31 58.40 3cys n LYS 44 Cb 0.00 -1.50 0.07 0.00 -0.00 0.00 0.00 35.03 33.60 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 45 N 1.19 2.42 5.13 2.58 0.00 -1.21 -5.13 105.19 110.17 3cys n GLY 45 Ca 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.48 -1.53 -2.96 1.61 1.16 -1.16 -4.68 117.46 109.41 3cys n PHE 46 Ca 0.08 0.11 0.04 0.00 -1.87 0.00 0.00 57.45 55.81 3cys n PHE 46 Cb 0.75 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 3cys n PHE 46 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3cys s GLY 47 N -1.57 -1.19 -0.22 4.97 0.00 -1.21 -3.16 107.32 104.95 3cys s GLY 47 Ca 0.00 1.88 -0.19 0.00 0.00 0.00 0.00 44.72 46.41 3cys s GLY 47 CO 0.00 4.27 0.32 -1.72 0.00 0.00 0.00 173.10 175.97 3cys n TYR 48 N 4.41 -1.30 -3.25 1.90 4.02 -1.26 -4.87 117.16 116.81 3cys n TYR 48 Ca 0.08 0.54 -0.20 0.00 -0.01 0.00 0.00 57.90 58.31 3cys n TYR 48 Cb 0.61 -0.87 -0.07 0.00 -0.02 0.00 0.00 39.34 38.99 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 -1.21 0.88 0.00 -0.72 2.47 -1.26 -4.62 119.74 115.27 3cys s LYS 49 Ca 0.19 -1.62 0.00 0.00 -1.56 0.00 0.00 55.97 52.98 3cys s LYS 49 Cb -0.02 -0.98 0.00 0.00 -1.46 0.00 0.00 37.83 35.37 3cys s LYS 49 CO 0.42 -1.33 0.00 0.41 0.16 0.00 0.00 175.35 175.01 3cys n GLY 50 N 3.17 2.67 4.03 5.54 0.00 -1.26 -5.12 105.19 114.21 3cys n GLY 50 Ca 0.23 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3cys n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 51 N 0.00 5.07 0.00 1.61 1.04 -1.26 -4.88 113.70 115.28 3cys s SER 51 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3cys s SER 51 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3cys s SER 51 CO 0.00 -1.34 0.00 0.00 0.98 0.00 0.00 173.24 172.88 3cys s PHE 53 N -0.43 -0.73 -0.20 0.00 0.08 -1.26 -4.47 117.98 110.96 3cys s PHE 53 Ca 0.00 1.67 -0.17 0.00 0.12 0.00 0.00 56.93 58.55 3cys s PHE 53 Cb 0.00 0.30 -0.13 0.00 -0.57 0.00 0.00 43.02 42.61 3cys s PHE 53 CO 0.00 -0.43 -0.01 0.72 -0.10 0.00 0.00 175.22 175.40 3cys n HIS 54 N 2.24 0.75 -4.83 0.36 8.25 -1.05 -4.92 115.22 116.03 3cys n HIS 54 Ca -0.15 0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 57.31 3cys n HIS 54 Cb 0.56 -0.97 -0.16 0.00 1.12 0.00 0.00 29.99 30.54 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 -2.40 3.21 -0.17 -0.41 0.52 -1.23 -4.74 118.95 113.73 3cys s ARG 55 Ca -0.28 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.16 3cys s ARG 55 Cb 0.07 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 33.06 3cys s ARG 55 CO 0.48 0.13 -0.07 0.42 0.02 0.00 0.00 175.30 176.28 3cys s ILE 56 N 0.51 1.22 -0.04 1.52 1.01 -1.26 -2.50 121.20 121.66 3cys s ILE 56 Ca -0.11 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3cys s ILE 56 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3cys s ILE 56 CO 0.05 0.17 -0.15 -0.63 0.00 0.00 0.00 174.94 174.38 3cys s ILE 57 N 1.59 1.27 -0.10 2.92 1.01 -1.21 -3.54 121.20 123.13 3cys s ILE 57 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 3cys s ILE 57 Cb -0.15 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3cys s ILE 57 CO -0.08 0.37 1.25 -2.16 0.00 0.00 0.00 174.94 174.32 3cys s PRO 58 N 0.16 4.29 -0.04 2.79 0.04 -1.19 -3.57 135.00 137.48 3cys s PRO 58 Ca -0.05 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 3cys s PRO 58 Cb -0.12 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.76 3cys s PRO 58 CO 0.02 -0.58 0.04 0.41 0.04 0.00 0.00 177.00 176.93 3cys n GLY 59 N 3.50 0.54 2.13 0.56 0.00 -1.26 -4.92 105.19 105.74 3cys n GLY 59 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.50 -3.64 -4.00 1.61 7.35 -1.23 -5.02 117.46 111.04 3cys n PHE 60 Ca -0.01 0.92 0.02 0.00 -0.76 0.00 0.00 57.45 57.63 3cys n PHE 60 Cb 0.51 2.45 0.01 0.00 0.35 0.00 0.00 39.48 42.80 3cys n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cys n MET 61 N -3.08 0.04 -3.74 -4.13 0.00 -1.24 -3.78 117.12 101.19 3cys n MET 61 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 57.70 57.22 3cys n MET 61 Cb 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 33.22 33.71 3cys n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3cys s GLN 63 N 1.32 1.00 -0.28 0.00 1.03 -1.04 -1.85 119.66 119.85 3cys s GLN 63 Ca -0.08 -0.94 -0.36 0.00 0.04 0.00 0.00 55.36 54.02 3cys s GLN 63 Cb -0.12 -1.08 0.17 0.00 0.03 0.00 0.00 33.01 32.01 3cys s GLN 63 CO -0.06 0.26 1.35 0.20 -2.54 0.00 0.00 175.29 174.50 3cys s GLY 64 N -1.53 -0.13 0.03 2.60 0.00 -1.02 -2.52 107.32 104.74 3cys s GLY 64 Ca 0.02 2.14 0.00 0.00 0.00 0.00 0.00 44.72 46.88 3cys s GLY 64 CO 0.02 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.49 3cys n GLY 65 N 0.13 -0.47 3.53 0.20 0.00 -1.26 -3.27 105.19 104.05 3cys n GLY 65 Ca 0.03 0.13 -0.60 0.00 0.00 0.00 0.00 46.02 45.58 3cys n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cys n ASP 66 N -2.33 0.16 -0.00 1.61 9.92 -1.26 -4.75 116.55 119.90 3cys n ASP 66 Ca 0.00 1.16 0.04 0.00 -0.53 0.00 0.00 54.79 55.46 3cys n ASP 66 Cb 0.00 -0.91 -0.05 0.00 -0.64 0.00 0.00 41.12 39.52 3cys n ASP 66 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3cys n PHE 67 N 1.84 0.00 0.00 1.24 7.35 -1.26 -4.66 117.46 121.97 3cys n PHE 67 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 3cys n PHE 67 Cb 0.06 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.85 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 -1.31 0.00 0.07 -2.13 -2.24 -1.26 -4.76 114.28 102.66 3cys n THR 68 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3cys n THR 68 Cb 0.14 -0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.30 -5.50 -0.78 2.47 -1.90 -3.48 114.38 105.50 3cys h ARG 69 Ca 0.00 -0.30 -0.27 0.00 -1.26 0.00 0.00 59.98 58.15 3cys h ARG 69 Cb 0.00 0.08 0.19 0.00 -1.65 0.00 0.00 29.97 28.59 3cys h ARG 69 CO 0.00 0.98 -0.84 0.72 0.56 0.00 0.00 179.97 181.39 3cys n HIS 70 N -3.74 -2.41 -1.21 3.04 8.25 -1.26 -4.94 115.22 112.95 3cys n HIS 70 Ca -0.05 0.87 0.03 0.00 -0.26 0.00 0.00 57.72 58.31 3cys n HIS 70 Cb 0.78 -4.29 0.04 0.00 1.12 0.00 0.00 29.99 27.63 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 -3.21 0.92 0.00 0.41 6.94 -1.26 -4.95 115.26 114.11 3cys n ASN 71 Ca -0.11 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 3cys n ASN 71 Cb 0.63 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.45 1.82 0.00 4.83 0.00 -1.26 -4.87 105.19 105.26 3cys n GLY 72 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.40 0.00 0.00 2.61 -2.24 -1.26 -4.91 114.28 107.08 3cys n THR 73 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cys n THR 73 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.97 0.21 3.57 3.38 0.00 -1.26 -4.13 105.19 108.92 3cys n GLY 74 Ca 0.00 0.73 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 3cys n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cys s GLY 75 N 0.00 0.30 0.53 -0.02 0.00 -1.26 -4.76 107.32 102.11 3cys s GLY 75 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.36 3cys s GLY 75 CO 0.00 3.50 1.00 0.54 0.00 0.00 0.00 173.10 178.14 3cys s LYS 76 N 6.75 3.82 0.80 2.90 1.02 -1.26 -4.81 119.74 128.96 3cys s LYS 76 Ca 0.77 1.02 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 3cys s LYS 76 Cb -0.17 -2.11 0.07 0.00 -0.52 0.00 0.00 37.83 35.09 3cys s LYS 76 CO 0.26 -0.39 1.09 -1.54 -0.92 0.00 0.00 175.35 173.86 3cys s SER 77 N -2.98 4.45 0.54 2.83 1.04 0.55 -4.92 113.70 115.20 3cys s SER 77 Ca 0.60 1.41 0.32 0.00 0.48 0.00 0.00 55.95 58.77 3cys s SER 77 Cb -0.11 -2.16 1.38 0.00 0.10 0.00 0.00 66.02 65.22 3cys s SER 77 CO 0.32 -2.01 1.99 0.16 0.98 0.00 0.00 173.24 174.68 3cys h ILE 78 N -1.12 0.13 0.00 -1.02 3.07 -1.93 -1.44 117.51 115.20 3cys h ILE 78 Ca -0.47 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.36 3cys h ILE 78 Cb 1.26 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 3cys h ILE 78 CO 0.58 0.04 -0.88 -1.22 -1.05 0.00 0.00 178.15 175.62 3cys n TYR 79 N -3.18 0.02 -0.70 0.16 4.01 -1.26 -5.06 117.16 111.16 3cys n TYR 79 Ca 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3cys n TYR 79 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.48 0.13 0.29 2.72 0.00 -0.54 -4.89 105.19 104.37 3cys n GLY 80 Ca 0.04 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 3cys n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cys h GLU 81 N 5.10 0.63 -3.98 1.61 4.81 -1.93 0.16 114.58 120.98 3cys h GLU 81 Ca 0.00 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 3cys h GLU 81 Cb 0.00 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.16 3cys h GLU 81 CO 0.00 0.60 -0.32 0.15 -0.73 0.00 0.00 179.01 178.71 3cys s LYS 82 N -5.12 1.34 0.15 1.92 1.02 -1.26 -4.43 119.74 113.37 3cys s LYS 82 Ca -0.08 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.32 3cys s LYS 82 Cb 0.16 0.39 0.06 0.00 -0.52 0.00 0.00 37.83 37.92 3cys s LYS 82 CO 0.77 -0.51 0.97 -0.59 -0.92 0.00 0.00 175.35 175.07 3cys s PHE 83 N -4.04 -0.12 1.31 3.18 -0.71 -0.84 -4.97 117.98 111.78 3cys s PHE 83 Ca 0.26 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.75 3cys s PHE 83 Cb 0.03 0.64 0.33 0.00 -1.21 0.00 0.00 43.02 42.81 3cys s PHE 83 CO 0.07 -0.83 1.01 -1.83 -1.34 0.00 0.00 175.22 172.30 3cys s GLU 84 N -3.24 -2.10 -0.04 1.99 -1.05 -1.26 -3.87 118.70 109.13 3cys s GLU 84 Ca 0.13 0.13 0.01 0.00 -0.15 0.00 0.00 54.97 55.08 3cys s GLU 84 Cb -0.01 -1.48 -0.03 0.00 -0.44 0.00 0.00 34.13 32.17 3cys s GLU 84 CO 0.02 -4.33 -0.02 -0.51 0.95 0.00 0.00 175.26 171.38 3cys s ASP 85 N -3.36 5.03 -0.01 0.83 1.01 -1.26 -4.87 116.67 114.04 3cys s ASP 85 Ca 0.69 0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.95 3cys s ASP 85 Cb -0.13 -1.33 -0.02 0.00 1.01 0.00 0.00 42.92 42.45 3cys s ASP 85 CO 0.58 0.32 0.49 -0.33 0.21 0.00 0.00 175.17 176.44 3cys h GLU 86 N 4.75 -0.11 0.00 8.23 4.39 -1.97 -3.50 114.58 126.37 3cys h GLU 86 Ca -0.49 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.38 3cys h GLU 86 Cb 1.18 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 3cys h GLU 86 CO 0.55 -0.08 0.61 0.27 -1.16 0.00 0.00 179.01 179.20 3cys n ASN 87 N -2.62 -1.69 -2.43 1.42 0.23 -1.26 -5.06 115.26 103.85 3cys n ASN 87 Ca -0.01 -1.86 -0.15 0.00 -0.53 0.00 0.00 54.58 52.02 3cys n ASN 87 Cb 0.05 2.75 0.03 0.00 -2.08 0.00 0.00 39.78 40.52 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 -0.73 2.19 -0.24 -2.53 3.72 -1.26 -4.77 117.46 113.83 3cys n PHE 88 Ca -0.02 -2.42 -0.07 0.00 -0.05 0.00 0.00 57.45 54.90 3cys n PHE 88 Cb 0.58 -0.27 0.04 0.00 -0.94 0.00 0.00 39.48 38.89 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 3.42 1.25 -4.29 4.37 2.04 -1.94 -3.42 117.51 118.93 3cys h ILE 89 Ca 0.14 -0.80 -0.51 0.00 1.00 0.00 0.00 64.86 64.69 3cys h ILE 89 Cb 1.31 0.51 0.12 0.00 -0.74 0.00 0.00 36.82 38.02 3cys h ILE 89 CO 0.56 0.31 0.33 -0.76 0.00 0.00 0.00 178.15 178.59 3cys s LEU 90 N -9.70 2.93 0.37 1.44 1.43 -1.26 -5.07 118.68 108.82 3cys s LEU 90 Ca -0.13 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.68 3cys s LEU 90 Cb 0.14 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 3cys s LEU 90 CO 0.82 -1.89 0.21 -0.54 0.23 0.00 0.00 176.35 175.18 3cys s LYS 91 N -4.99 1.85 -1.08 1.70 1.02 -1.26 -4.77 119.74 112.21 3cys s LYS 91 Ca 0.60 -2.11 -0.12 0.00 0.02 0.00 0.00 55.97 54.37 3cys s LYS 91 Cb -0.16 -0.13 0.23 0.00 -0.52 0.00 0.00 37.83 37.25 3cys s LYS 91 CO 0.56 -0.58 1.15 -1.01 -0.92 0.00 0.00 175.35 174.55 3cys s HIS 92 N -3.33 3.88 0.48 3.18 3.76 -1.26 -4.85 115.29 117.15 3cys s HIS 92 Ca 0.32 -2.32 0.16 0.00 -0.15 0.00 0.00 55.06 53.07 3cys s HIS 92 Cb 0.02 -4.01 1.16 0.00 1.11 0.00 0.00 32.58 30.86 3cys s HIS 92 CO 0.21 -1.13 2.07 1.79 -0.85 0.00 0.00 174.74 176.83 3cys h THR 93 N 4.30 1.03 0.00 1.30 1.35 -1.96 -3.43 112.91 115.51 3cys h THR 93 Ca 0.21 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3cys h THR 93 Cb 0.91 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3cys h THR 93 CO 1.05 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 177.02 3cys n GLY 94 N -1.23 -0.01 3.75 5.82 0.00 -1.26 -4.95 105.19 107.31 3cys n GLY 94 Ca -0.03 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.36 4.61 0.00 1.61 0.04 -1.26 -4.16 135.00 135.48 3cys s PRO 95 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3cys s PRO 95 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3cys s PRO 95 CO 0.00 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.58 3cys n GLY 96 N 1.71 0.63 2.86 0.56 0.00 0.15 -4.89 105.19 106.22 3cys n GLY 96 Ca 0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.21 0.46 -0.26 -0.61 -1.09 -1.09 -3.20 121.20 113.21 3cys s ILE 97 Ca 0.00 -0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.19 3cys s ILE 97 Cb 0.00 -0.52 -0.03 0.00 -1.58 0.00 0.00 42.46 40.33 3cys s ILE 97 CO 0.00 0.22 0.47 -0.76 -1.23 0.00 0.00 174.94 173.64 3cys s LEU 98 N 1.09 4.05 0.08 2.97 2.01 0.01 -0.97 118.68 127.92 3cys s LEU 98 Ca -0.08 0.45 0.01 0.00 0.01 0.00 0.00 54.13 54.52 3cys s LEU 98 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 46.19 43.43 3cys s LEU 98 CO -0.01 -0.25 -0.05 -0.94 1.01 0.00 0.00 176.35 176.10 3cys s SER 99 N 1.56 0.92 -0.18 2.29 1.04 -1.09 -1.33 113.70 116.91 3cys s SER 99 Ca 0.19 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 55.56 3cys s SER 99 Cb -0.16 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 3cys s SER 99 CO 0.09 -0.49 0.10 -0.04 0.98 0.00 0.00 173.24 173.88 3cys s MET 100 N -3.72 3.97 0.19 4.02 -1.94 0.86 -0.14 119.30 122.55 3cys s MET 100 Ca 0.09 -0.26 -0.28 0.00 -1.71 0.00 0.00 55.69 53.53 3cys s MET 100 Cb 0.05 -3.29 -0.08 0.00 2.01 0.00 0.00 34.83 33.52 3cys s MET 100 CO -0.06 0.37 0.87 0.00 -0.01 0.00 0.00 175.02 176.19 3cys s ALA 101 N 0.13 3.37 -0.02 3.03 0.00 -0.96 -4.05 121.76 123.26 3cys s ALA 101 Ca 0.07 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3cys s ALA 101 Cb -0.12 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3cys s ALA 101 CO -0.00 0.21 0.42 -0.80 0.00 0.00 0.00 175.76 175.59 3cys s ASN 102 N -1.00 -0.33 -0.15 0.00 0.01 -1.26 -4.58 114.94 107.63 3cys s ASN 102 Ca 0.39 0.26 0.16 0.00 -0.71 0.00 0.00 52.86 52.96 3cys s ASN 102 Cb -0.24 0.38 0.60 0.00 0.41 0.00 0.00 41.25 42.40 3cys s ASN 102 CO 0.29 -0.50 1.52 0.00 -1.51 0.00 0.00 177.10 176.90 3cys n ALA 103 N 1.14 3.09 0.00 0.60 0.00 -1.26 -5.02 120.51 119.05 3cys n ALA 103 Ca -0.21 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.33 3cys n ALA 103 Cb 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 0.24 -2.85 3.76 0.00 0.00 -1.26 -5.04 105.19 100.05 3cys n GLY 104 Ca 0.22 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.98 4.67 -1.42 1.61 0.04 -1.26 -3.28 135.00 133.39 3cys s PRO 105 Ca 0.00 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 3cys s PRO 105 Cb 0.00 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.35 3cys s PRO 105 CO 0.00 0.25 0.18 0.09 0.04 0.00 0.00 177.00 177.55 3cys n ASN 106 N 1.26 -4.96 -0.10 6.66 3.02 -1.26 -4.79 115.26 115.10 3cys n ASN 106 Ca -0.01 -0.04 0.01 0.00 -0.03 0.00 0.00 54.58 54.52 3cys n ASN 106 Cb 0.45 -4.12 0.01 0.00 -0.61 0.00 0.00 39.78 35.51 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3cys n THR 107 N -3.87 0.00 -1.75 3.41 -1.04 -1.20 -4.26 114.28 105.56 3cys n THR 107 Ca -0.16 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.03 3cys n THR 107 Cb 0.63 1.05 0.05 0.00 -1.82 0.00 0.00 70.33 70.24 3cys n THR 107 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3cys s ASN 108 N -0.40 5.03 0.13 8.00 2.20 -1.25 -4.71 114.94 123.95 3cys s ASN 108 Ca 0.03 2.06 0.00 0.00 -0.94 0.00 0.00 52.86 54.01 3cys s ASN 108 Cb 0.02 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 3cys s ASN 108 CO 0.05 -1.68 0.00 0.61 -2.94 0.00 0.00 177.10 173.13 3cys n GLY 109 N -0.36 -0.25 0.00 0.45 0.00 -1.26 -1.99 105.19 101.78 3cys n GLY 109 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.96 0.00 -1.26 1.61 3.41 -1.26 -4.71 113.62 108.44 3cys n SER 110 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3cys n SER 110 Cb 0.00 0.00 0.00 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 0.00 -0.22 -1.86 4.33 10.64 -1.26 -4.14 117.38 124.86 3cys n GLN 111 Ca 0.00 0.18 -0.29 0.00 -1.83 0.00 0.00 57.00 55.06 3cys n GLN 111 Cb 0.00 -0.25 0.09 0.00 -0.86 0.00 0.00 30.24 29.22 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 -0.19 2.93 -0.13 2.61 -0.12 -1.20 -2.28 117.98 119.59 3cys s PHE 112 Ca 0.04 0.77 -0.10 0.00 -0.05 0.00 0.00 56.93 57.60 3cys s PHE 112 Cb -0.00 -3.47 0.04 0.00 -0.63 0.00 0.00 43.02 38.96 3cys s PHE 112 CO 0.10 -1.81 0.33 -0.59 -0.05 0.00 0.00 175.22 173.21 3cys s PHE 113 N -3.54 -0.41 -0.17 3.49 -0.71 0.81 -2.44 117.98 115.00 3cys s PHE 113 Ca 0.62 0.96 -0.21 0.00 -1.04 0.00 0.00 56.93 57.26 3cys s PHE 113 Cb -0.11 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.81 3cys s PHE 113 CO 0.50 -0.22 0.63 0.42 -1.34 0.00 0.00 175.22 175.20 3cys s ILE 114 N 0.66 5.04 -0.40 -4.49 1.01 -0.77 -2.65 121.20 119.59 3cys s ILE 114 Ca -0.04 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.58 3cys s ILE 114 Cb -0.05 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.48 3cys s ILE 114 CO -0.04 0.15 0.90 0.00 0.00 0.00 0.00 174.94 175.95 3cys n THR 116 N 6.11 2.71 -3.74 0.00 -1.04 -1.25 0.32 114.28 117.39 3cys n THR 116 Ca 0.06 -2.17 0.00 0.00 -2.04 0.00 0.00 64.05 59.90 3cys n THR 116 Cb 0.48 -0.34 -0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys s ALA 117 N -3.12 -2.08 0.05 2.41 0.00 -1.26 -4.61 121.76 113.15 3cys s ALA 117 Ca 0.49 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 3cys s ALA 117 Cb 0.42 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 24.00 3cys s ALA 117 CO 0.07 -1.07 1.93 1.17 0.00 0.00 0.00 175.76 177.86 3cys n LYS 118 N -0.59 2.78 -3.35 0.00 4.81 -1.26 -4.01 118.16 116.54 3cys n LYS 118 Ca -0.05 1.02 -0.26 0.00 -0.87 0.00 0.00 58.31 58.15 3cys n LYS 118 Cb 0.61 -2.95 -0.09 0.00 0.02 0.00 0.00 35.03 32.63 3cys n LYS 118 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3cys n THR 119 N 5.26 -0.65 0.57 3.15 -2.24 -1.26 -4.95 114.28 114.17 3cys n THR 119 Ca 0.20 -3.83 0.13 0.00 -2.27 0.00 0.00 64.05 58.27 3cys n THR 119 Cb 0.39 -1.82 0.35 0.00 -2.10 0.00 0.00 70.33 67.15 3cys n THR 119 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3cys h GLU 120 N 4.94 0.00 -0.06 -0.78 9.09 -1.91 -2.78 114.58 123.08 3cys h GLU 120 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3cys h GLU 120 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 3cys h GLU 120 CO 0.45 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 176.84 3cys n TRP 121 N -2.35 0.06 -0.10 2.06 2.14 -1.26 -2.69 117.44 115.30 3cys n TRP 121 Ca 0.05 -0.03 0.01 0.00 2.07 0.00 0.00 57.50 59.60 3cys n TRP 121 Cb 0.44 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.96 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 0.26 2.07 -0.02 5.67 4.77 -1.05 -4.76 117.00 123.93 3cys n LEU 122 Ca 0.18 -2.10 -0.12 0.00 -0.03 0.00 0.00 56.01 53.94 3cys n LEU 122 Cb 0.36 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3cys n LEU 122 CO 0.15 0.53 0.44 -0.78 -1.33 0.00 0.00 177.39 176.40 3cys h ASP 123 N 0.07 -0.04 -2.23 -1.43 3.58 -1.47 -3.13 116.42 111.77 3cys h ASP 123 Ca 0.00 -0.64 -0.77 0.00 0.42 0.00 0.00 57.03 56.04 3cys h ASP 123 Cb 0.55 0.01 -0.30 0.00 1.72 0.00 0.00 39.33 41.32 3cys h ASP 123 CO 0.00 0.67 0.75 0.61 -2.88 0.00 0.00 179.24 178.39 3cys n GLY 124 N 0.98 6.02 1.72 -0.78 0.00 -1.26 -4.31 105.19 107.55 3cys n GLY 124 Ca -0.08 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.33 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N -0.13 0.00 -3.99 1.61 4.81 -1.26 -5.14 118.16 114.06 3cys n LYS 125 Ca 0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.60 3cys n LYS 125 Cb 0.28 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cys s HIS 126 N -2.00 3.35 -0.15 5.64 3.76 -1.18 -5.02 115.29 119.69 3cys s HIS 126 Ca 0.00 0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 3cys s HIS 126 Cb 0.00 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3cys s HIS 126 CO 0.00 0.54 0.55 0.08 -0.85 0.00 0.00 174.74 175.06 3cys s VAL 127 N -1.56 5.11 -0.08 -0.90 1.01 -1.26 -4.85 120.40 117.87 3cys s VAL 127 Ca 0.33 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 3cys s VAL 127 Cb -0.12 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3cys s VAL 127 CO 0.26 0.23 0.36 -0.69 0.00 0.00 0.00 175.10 175.26 3cys s VAL 128 N 1.18 5.19 -0.02 2.92 1.01 -1.26 -0.10 120.40 129.32 3cys s VAL 128 Ca 0.28 0.71 0.19 0.00 0.00 0.00 0.00 61.98 63.16 3cys s VAL 128 Cb -0.16 -3.68 0.32 0.00 0.00 0.00 0.00 36.38 32.87 3cys s VAL 128 CO 0.11 0.48 1.13 2.22 0.00 0.00 0.00 175.10 179.04 3cys n PHE 129 N 2.73 0.02 -2.32 5.22 -1.74 -0.44 -4.78 117.46 116.16 3cys n PHE 129 Ca -0.13 -0.61 0.00 0.00 -0.56 0.00 0.00 57.45 56.16 3cys n PHE 129 Cb 0.52 0.04 0.00 0.00 1.52 0.00 0.00 39.48 41.57 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 130 N 0.28 -1.12 3.35 4.97 0.00 -1.20 -3.44 105.19 108.04 3cys n GLY 130 Ca -0.03 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3cys n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 131 N -1.94 0.99 0.31 1.61 2.20 -1.26 -0.81 119.74 120.83 3cys s LYS 131 Ca 0.00 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 3cys s LYS 131 Cb 0.00 0.45 -0.11 0.00 -1.51 0.00 0.00 37.83 36.66 3cys s LYS 131 CO 0.00 -0.36 1.51 0.08 -0.36 0.00 0.00 175.35 176.23 3cys s VAL 132 N -2.64 2.24 0.00 4.02 1.01 -1.19 -1.65 120.40 122.19 3cys s VAL 132 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3cys s VAL 132 Cb -0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3cys s VAL 132 CO -0.03 0.04 0.06 1.17 0.00 0.00 0.00 175.10 176.34 3cys n LYS 133 N 1.65 0.00 -2.87 2.72 4.81 -0.91 -4.81 118.16 118.75 3cys n LYS 133 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.37 3cys n LYS 133 Cb 0.39 -0.37 0.04 0.00 0.02 0.00 0.00 35.03 35.11 3cys n LYS 133 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3cys n GLU 134 N -0.24 1.05 -1.77 1.64 1.02 -1.26 -4.90 120.64 116.17 3cys n GLU 134 Ca 0.00 -2.63 -0.04 0.00 -0.02 0.00 0.00 57.16 54.47 3cys n GLU 134 Cb 0.00 -1.15 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 3cys n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cys n GLY 135 N 0.11 1.20 0.18 0.62 0.00 -1.24 -4.92 105.19 101.14 3cys n GLY 135 Ca 0.12 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.60 0.00 0.00 1.61 -0.00 -1.90 -2.63 114.93 112.61 3cys h MET 136 Ca -0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.15 3cys h MET 136 Cb 1.40 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.99 3cys h MET 136 CO -0.20 0.00 -0.35 -2.95 -0.00 0.00 0.00 176.91 173.41 3cys h ASN 137 N 0.00 0.00 0.15 -0.10 -1.07 -1.97 0.18 115.58 112.77 3cys h ASN 137 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 3cys h ASN 137 Cb 0.67 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.92 3cys h ASN 137 CO 0.00 0.35 -0.73 0.40 0.07 0.00 0.00 177.43 177.53 3cys h ILE 138 N 0.00 1.35 -0.44 6.14 1.08 -1.82 -0.33 117.51 123.49 3cys h ILE 138 Ca -0.00 -2.07 -0.13 0.00 -0.39 0.00 0.00 64.86 62.26 3cys h ILE 138 Cb 0.68 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3cys h ILE 138 CO 0.05 0.63 -0.24 0.58 -0.69 0.00 0.00 178.15 178.48 3cys h VAL 139 N 0.35 1.27 -0.42 1.67 2.07 -1.39 0.15 116.25 119.95 3cys h VAL 139 Ca -0.03 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 3cys h VAL 139 Cb 1.31 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3cys h VAL 139 CO 0.13 0.48 0.24 -0.08 0.02 0.00 0.00 177.57 178.36 3cys h GLU 140 N 0.78 0.59 -0.31 1.57 4.22 -0.58 0.19 114.58 121.03 3cys h GLU 140 Ca 0.10 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 3cys h GLU 140 Cb 0.82 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3cys h GLU 140 CO 0.07 0.46 -0.02 0.00 -2.18 0.00 0.00 179.01 177.34 3cys h ALA 141 N 1.09 1.39 -0.14 2.92 0.00 -0.89 -0.50 119.26 123.13 3cys h ALA 141 Ca 0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3cys h ALA 141 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3cys h ALA 141 CO -0.03 0.42 -0.26 1.98 0.00 0.00 0.00 179.25 181.36 3cys h MET 142 N 0.47 0.43 -0.00 0.00 1.85 -0.36 -2.89 114.93 114.43 3cys h MET 142 Ca 0.10 -0.27 -0.18 0.00 -0.61 0.00 0.00 59.70 58.74 3cys h MET 142 Cb 0.33 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.38 3cys h MET 142 CO 0.01 0.87 -0.82 1.05 -0.40 0.00 0.00 176.91 177.63 3cys h GLU 143 N 0.04 0.11 0.00 0.39 4.11 -0.38 -2.64 114.58 116.20 3cys h GLU 143 Ca 0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.32 3cys h GLU 143 Cb 0.85 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3cys h GLU 143 CO 0.06 0.86 0.00 2.89 0.07 0.00 0.00 179.01 182.89 3cys n ARG 144 N -3.65 0.19 0.14 1.06 1.85 -0.22 -1.93 116.66 114.10 3cys n ARG 144 Ca -0.02 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.13 3cys n ARG 144 Cb 0.77 -1.73 0.14 0.00 -1.05 0.00 0.00 32.46 30.60 3cys n ARG 144 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3cys h PHE 145 N 0.00 0.00 -3.82 2.89 -1.00 -1.25 -3.47 116.94 110.29 3cys h PHE 145 Ca 0.00 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.35 3cys h PHE 145 Cb 0.63 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.37 3cys h PHE 145 CO 0.00 0.00 0.33 0.20 -1.61 0.00 0.00 178.31 177.23 3cys s GLY 146 N -4.10 1.73 0.21 -1.45 0.00 -0.82 -4.24 107.32 98.65 3cys s GLY 146 Ca 0.05 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.38 3cys s GLY 146 CO 0.71 -0.34 0.95 -1.35 0.00 0.00 0.00 173.10 173.07 3cys s SER 147 N -4.61 -0.09 0.00 1.64 1.04 -1.24 -4.59 113.70 105.85 3cys s SER 147 Ca 0.74 -0.62 0.22 0.00 0.48 0.00 0.00 55.95 56.76 3cys s SER 147 Cb -0.05 0.56 1.19 0.00 0.10 0.00 0.00 66.02 67.82 3cys s SER 147 CO 0.54 -1.08 1.71 -2.11 0.98 0.00 0.00 173.24 173.27 3cys n ARG 148 N -0.56 0.46 0.28 4.02 1.85 -1.26 -2.57 116.66 118.88 3cys n ARG 148 Ca -0.05 0.05 0.16 0.00 -1.00 0.00 0.00 57.85 57.00 3cys n ARG 148 Cb 0.60 -1.50 0.83 0.00 -1.05 0.00 0.00 32.46 31.34 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 -1.93 -3.45 115.58 120.16 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 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.36 3cys h ASN 149 CO 0.00 0.07 0.00 0.61 -2.08 0.00 0.00 177.43 176.03 3cys n GLY 150 N -0.67 0.58 0.03 9.14 0.00 -1.06 -5.09 105.19 108.12 3cys n GLY 150 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 1.61 2.85 -1.19 -4.90 118.16 116.54 3cys n LYS 151 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3cys n LYS 151 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3cys n LYS 151 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3cys n THR 152 N 0.21 0.00 -2.08 0.58 -2.24 -1.26 -4.70 114.28 104.78 3cys n THR 152 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3cys n THR 152 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3cys n THR 152 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cys n SER 153 N -3.75 -0.60 0.00 3.42 3.41 -1.26 -4.16 113.62 110.67 3cys n SER 153 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3cys n SER 153 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3cys n SER 153 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3cys n LYS 154 N 0.08 0.00 -3.30 4.33 4.81 -1.26 -5.14 118.16 117.68 3cys n LYS 154 Ca -0.20 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.26 3cys n LYS 154 Cb 0.76 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.78 3cys n LYS 154 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3cys s LYS 155 N 0.00 0.26 -0.08 1.64 2.36 -1.26 -5.07 119.74 117.59 3cys s LYS 155 Ca 0.00 0.59 0.02 0.00 -2.55 0.00 0.00 55.97 54.02 3cys s LYS 155 Cb 0.00 0.35 -0.02 0.00 -1.05 0.00 0.00 37.83 37.10 3cys s LYS 155 CO 0.00 -0.15 -0.12 -1.50 1.55 0.00 0.00 175.35 175.13 3cys s ILE 156 N 2.58 3.22 0.08 5.43 2.07 -1.26 0.10 121.20 133.41 3cys s ILE 156 Ca -0.01 -0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 58.56 3cys s ILE 156 Cb -0.07 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.19 3cys s ILE 156 CO -0.16 0.57 0.05 -0.89 -1.91 0.00 0.00 174.94 172.60 3cys s THR 157 N -0.41 0.18 -0.19 4.00 2.01 0.37 -4.69 115.64 116.91 3cys s THR 157 Ca 0.05 -1.67 -0.17 0.00 0.31 0.00 0.00 61.69 60.21 3cys s THR 157 Cb -0.12 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3cys s THR 157 CO 0.02 -0.80 0.46 -0.63 -0.69 0.00 0.00 174.62 172.98 3cys s ILE 158 N -3.93 5.16 -0.01 1.82 1.01 -1.25 -0.66 121.20 123.34 3cys s ILE 158 Ca 0.10 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.35 3cys s ILE 158 Cb 0.07 -3.79 -0.18 0.00 0.01 0.00 0.00 42.46 38.57 3cys s ILE 158 CO -0.08 0.23 1.25 0.00 0.00 0.00 0.00 174.94 176.34 3cys h ALA 159 N 7.32 -0.15 -1.86 9.38 0.00 -1.80 -3.44 119.26 128.70 3cys h ALA 159 Ca -0.36 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.56 3cys h ALA 159 Cb 1.16 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 3cys h ALA 159 CO 0.73 -0.37 0.66 0.16 0.00 0.00 0.00 179.25 180.43 3cys s ASP 160 N -5.44 -0.19 0.11 0.00 -4.77 -1.25 -5.06 116.67 100.06 3cys s ASP 160 Ca -0.15 -0.10 -0.26 0.00 -3.30 0.00 0.00 52.55 48.74 3cys s ASP 160 Cb 0.02 0.28 0.07 0.00 -1.09 0.00 0.00 42.92 42.21 3cys s ASP 160 CO 0.61 -0.48 0.88 0.00 0.70 0.00 0.00 175.17 176.88 3cys n GLY 162 N -0.38 -0.92 3.79 0.00 0.00 -0.70 -5.01 105.19 101.98 3cys n GLY 162 Ca -0.08 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.21 3.30 -1.35 1.61 0.74 -1.17 -1.14 119.66 120.43 3cys s GLN 163 Ca 0.00 -0.25 -0.06 0.00 0.05 0.00 0.00 55.36 55.10 3cys s GLN 163 Cb 0.00 -3.04 0.10 0.00 1.10 0.00 0.00 33.01 31.17 3cys s GLN 163 CO 0.00 0.72 2.41 1.28 -0.55 0.00 0.00 175.29 179.16 3cys n LEU 164 N 2.13 8.04 -0.17 3.68 4.77 -1.15 -4.92 117.00 129.38 3cys n LEU 164 Ca -0.19 -4.81 0.15 0.00 -0.03 0.00 0.00 56.01 51.13 3cys n LEU 164 Cb 0.54 -1.39 0.80 0.00 -2.33 0.00 0.00 43.42 41.04 3cys n LEU 164 CO 0.30 2.01 1.03 1.21 -1.33 0.00 0.00 177.39 180.61