#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 -3.01 3.17 0.24 -1.26 -4.99 118.33 112.48 3cys n VAL 2 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3cys n VAL 2 Cb 0.00 -0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 31.73 3cys n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3cys n ASN 3 N -2.43 -1.85 -4.79 -1.34 3.02 -1.26 -2.02 115.26 104.59 3cys n ASN 3 Ca 0.00 -2.81 -0.29 0.00 -0.03 0.00 0.00 54.58 51.45 3cys n ASN 3 Cb 0.13 0.69 0.13 0.00 -0.61 0.00 0.00 39.78 40.12 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3cys s PRO 4 N 0.23 1.34 -0.07 3.52 0.04 -1.26 -4.62 135.00 134.18 3cys s PRO 4 Ca 0.32 0.36 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 3cys s PRO 4 Cb 0.09 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3cys s PRO 4 CO -0.15 -2.08 -0.00 0.99 0.04 0.00 0.00 177.00 175.81 3cys s THR 5 N -3.25 4.25 0.24 1.26 2.01 -0.45 -2.48 115.64 117.22 3cys s THR 5 Ca 0.63 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 62.40 3cys s THR 5 Cb -0.15 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3cys s THR 5 CO 0.53 0.55 -0.08 0.68 -0.69 0.00 0.00 174.62 175.62 3cys s VAL 6 N -0.93 3.13 0.15 3.82 -7.23 0.16 -0.29 120.40 119.21 3cys s VAL 6 Ca 0.15 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3cys s VAL 6 Cb -0.11 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3cys s VAL 6 CO 0.04 -0.28 0.34 0.12 -0.31 0.00 0.00 175.10 175.01 3cys s PHE 7 N -2.12 3.49 -0.29 2.82 5.36 -0.17 -2.39 117.98 124.68 3cys s PHE 7 Ca 0.28 0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.51 3cys s PHE 7 Cb -0.07 -1.88 0.13 0.00 -0.34 0.00 0.00 43.02 40.86 3cys s PHE 7 CO 0.17 0.45 0.80 0.12 -1.46 0.00 0.00 175.22 175.30 3cys s PHE 8 N -1.70 -1.00 0.03 10.12 2.19 -0.95 -3.25 117.98 123.42 3cys s PHE 8 Ca 0.38 1.81 0.07 0.00 0.33 0.00 0.00 56.93 59.53 3cys s PHE 8 Cb -0.12 0.60 -0.02 0.00 -1.31 0.00 0.00 43.02 42.17 3cys s PHE 8 CO 0.27 -0.50 -0.22 -0.51 1.83 0.00 0.00 175.22 176.10 3cys s ASP 9 N 2.28 2.58 -0.00 6.13 1.11 0.04 -0.17 116.67 128.64 3cys s ASP 9 Ca -0.06 -0.49 -0.02 0.00 0.18 0.00 0.00 52.55 52.16 3cys s ASP 9 Cb -0.08 -0.24 -0.04 0.00 1.07 0.00 0.00 42.92 43.63 3cys s ASP 9 CO -0.18 0.21 0.15 -0.63 1.18 0.00 0.00 175.17 175.89 3cys s ILE 10 N -0.71 5.18 -0.11 0.77 -1.09 -1.15 -0.54 121.20 123.53 3cys s ILE 10 Ca 0.08 -0.27 -0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3cys s ILE 10 Cb -0.09 -3.41 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3cys s ILE 10 CO 0.01 0.31 -0.07 0.00 -1.23 0.00 0.00 174.94 173.96 3cys s ALA 11 N -1.30 1.33 -0.44 9.38 0.00 0.30 -0.46 121.76 130.57 3cys s ALA 11 Ca 0.26 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 3cys s ALA 11 Cb -0.12 -0.92 0.08 0.00 0.00 0.00 0.00 23.12 22.16 3cys s ALA 11 CO 0.18 -0.43 0.31 0.08 0.00 0.00 0.00 175.76 175.90 3cys s VAL 12 N 1.71 4.54 -0.45 0.00 1.01 0.26 -1.59 120.40 125.88 3cys s VAL 12 Ca 0.05 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.47 3cys s VAL 12 Cb -0.13 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3cys s VAL 12 CO -0.08 -0.55 0.62 0.47 0.00 0.00 0.00 175.10 175.56 3cys n ASP 13 N 5.01 -7.18 -4.36 3.32 8.00 0.28 -2.80 116.55 118.81 3cys n ASP 13 Ca -0.11 0.30 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 3cys n ASP 13 Cb 0.43 -4.21 -0.06 0.00 -0.02 0.00 0.00 41.12 37.26 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 -0.30 -0.38 3.28 0.44 0.00 -1.26 -4.90 105.19 102.07 3cys n GLY 14 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -7.10 0.36 -0.31 1.61 2.56 -1.12 -5.12 118.70 109.58 3cys s GLU 15 Ca 0.66 0.93 -0.29 0.00 0.00 0.00 0.00 54.97 56.27 3cys s GLU 15 Cb -0.37 0.17 -0.00 0.00 2.00 0.00 0.00 34.13 35.93 3cys s GLU 15 CO 0.98 -0.21 1.35 -1.25 -0.56 0.00 0.00 175.26 175.57 3cys s PRO 16 N 2.05 3.85 0.09 4.30 0.04 -1.26 0.91 135.00 144.98 3cys s PRO 16 Ca -0.05 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 3cys s PRO 16 Cb -0.10 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 3cys s PRO 16 CO -0.13 -1.20 1.43 1.25 0.04 0.00 0.00 177.00 178.38 3cys h LEU 17 N 11.15 0.66 0.00 -3.56 7.12 -1.12 -3.47 115.31 126.08 3cys h LEU 17 Ca -0.27 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.29 3cys h LEU 17 Cb 1.10 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 3cys h LEU 17 CO 1.04 0.97 0.00 0.61 -0.13 0.00 0.00 178.44 180.93 3cys n GLY 18 N 0.09 -1.65 3.60 3.75 0.00 -1.25 -5.03 105.19 104.70 3cys n GLY 18 Ca -0.04 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.85 3.51 0.16 1.61 3.52 -1.26 -2.95 118.95 121.70 3cys s ARG 19 Ca 0.00 -0.44 0.08 0.00 -0.13 0.00 0.00 55.73 55.24 3cys s ARG 19 Cb 0.00 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3cys s ARG 19 CO 0.00 0.41 -0.17 0.08 -0.81 0.00 0.00 175.30 174.81 3cys s VAL 20 N -0.07 1.74 -0.03 7.11 1.01 0.76 -4.49 120.40 126.44 3cys s VAL 20 Ca 0.04 -1.92 0.01 0.00 0.00 0.00 0.00 61.98 60.10 3cys s VAL 20 Cb -0.13 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3cys s VAL 20 CO 0.02 -0.36 -0.02 -0.44 0.00 0.00 0.00 175.10 174.31 3cys s SER 21 N -2.70 0.50 -0.02 3.32 0.01 0.00 -2.23 113.70 112.58 3cys s SER 21 Ca 0.15 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.43 3cys s SER 21 Cb -0.05 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3cys s SER 21 CO 0.06 -0.06 -0.22 -0.36 0.41 0.00 0.00 173.24 173.07 3cys s PHE 22 N 0.74 1.98 -0.08 2.43 0.08 -1.00 -2.45 117.98 119.68 3cys s PHE 22 Ca -0.08 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 3cys s PHE 22 Cb -0.11 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 3cys s PHE 22 CO -0.01 -0.04 0.05 -1.83 -0.10 0.00 0.00 175.22 173.29 3cys s GLU 23 N -0.50 3.11 -0.08 0.44 -1.05 -0.71 -0.67 118.70 119.24 3cys s GLU 23 Ca 0.08 -0.35 0.02 0.00 -0.15 0.00 0.00 54.97 54.57 3cys s GLU 23 Cb -0.09 -2.90 -0.02 0.00 -0.44 0.00 0.00 34.13 30.68 3cys s GLU 23 CO -0.01 0.71 -0.12 -0.51 0.95 0.00 0.00 175.26 176.28 3cys s LEU 24 N -1.07 2.81 -1.28 1.83 1.02 -1.03 -0.43 118.68 120.53 3cys s LEU 24 Ca 0.15 -0.20 -0.09 0.00 0.02 0.00 0.00 54.13 54.01 3cys s LEU 24 Cb -0.12 -1.60 0.16 0.00 0.02 0.00 0.00 46.19 44.66 3cys s LEU 24 CO 0.05 0.29 1.94 0.49 0.02 0.00 0.00 176.35 179.14 3cys n PHE 25 N 2.67 2.86 0.26 0.29 3.72 -0.26 -4.03 117.46 122.97 3cys n PHE 25 Ca -0.18 -2.78 0.13 0.00 -0.05 0.00 0.00 57.45 54.57 3cys n PHE 25 Cb 0.52 -1.92 0.67 0.00 -0.94 0.00 0.00 39.48 37.81 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 5.59 1.15 -0.97 4.37 0.00 -1.79 -1.71 119.26 125.90 3cys h ALA 26 Ca 0.43 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3cys h ALA 26 Cb 0.59 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3cys h ALA 26 CO 1.61 0.17 0.64 0.22 0.00 0.00 0.00 179.25 181.89 3cys h ASP 27 N 0.00 1.09 0.24 0.00 3.58 -1.68 0.32 116.42 119.97 3cys h ASP 27 Ca -0.00 -0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.08 3cys h ASP 27 Cb 0.46 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3cys h ASP 27 CO 0.02 0.78 -1.81 0.11 -2.88 0.00 0.00 179.24 175.46 3cys h LYS 28 N 1.28 0.28 -2.19 0.28 6.56 -1.74 -3.41 116.57 117.64 3cys h LYS 28 Ca 0.37 -0.48 -0.58 0.00 -1.06 0.00 0.00 60.65 58.89 3cys h LYS 28 Cb -0.10 0.18 -0.39 0.00 -0.57 0.00 0.00 32.23 31.34 3cys h LYS 28 CO -0.09 1.17 -0.96 1.33 -2.06 0.00 0.00 179.45 178.84 3cys n VAL 29 N -3.47 -0.17 -1.07 0.50 0.24 -0.70 -5.00 118.33 108.65 3cys n VAL 29 Ca -0.25 -4.12 -0.32 0.00 -2.04 0.00 0.00 64.34 57.60 3cys n VAL 29 Cb 1.06 -1.92 -0.02 0.00 -1.47 0.00 0.00 33.84 31.48 3cys n VAL 29 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3cys n PRO 30 N 1.70 2.62 0.06 7.34 -0.04 0.09 -2.99 135.00 143.78 3cys n PRO 30 Ca 0.25 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 3cys n PRO 30 Cb 0.49 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 3cys n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cys n LYS 31 N 4.51 0.00 0.07 0.54 4.81 -1.26 -4.91 118.16 121.92 3cys n LYS 31 Ca 0.57 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 58.06 3cys n LYS 31 Cb 0.22 0.00 0.49 0.00 0.02 0.00 0.00 35.03 35.76 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 1.07 -0.52 3.15 2.02 -1.96 -0.17 112.91 116.50 3cys h THR 32 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3cys h THR 32 Cb 0.00 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3cys h THR 32 CO 0.00 0.07 0.10 0.00 0.37 0.00 0.00 175.52 176.07 3cys h ALA 33 N 1.81 1.21 -0.35 6.16 0.00 -1.86 -3.06 119.26 123.16 3cys h ALA 33 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3cys h ALA 33 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3cys h ALA 33 CO -0.02 0.54 0.16 1.49 0.00 0.00 0.00 179.25 181.41 3cys h GLU 34 N 0.77 0.32 0.53 0.00 4.81 -1.31 0.25 114.58 119.95 3cys h GLU 34 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3cys h GLU 34 Cb 0.32 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3cys h GLU 34 CO 0.00 0.21 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.26 3cys h ASN 35 N 0.33 -0.81 -0.66 1.04 2.35 -1.44 0.92 115.58 117.31 3cys h ASN 35 Ca 0.15 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3cys h ASN 35 Cb 0.08 0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3cys h ASN 35 CO -0.12 -0.51 0.32 0.15 -1.65 0.00 0.00 177.43 175.62 3cys h PHE 36 N -0.81 0.98 0.00 1.19 3.04 -1.55 0.10 116.94 119.89 3cys h PHE 36 Ca -0.06 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 3cys h PHE 36 Cb 0.66 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 3cys h PHE 36 CO -0.10 0.72 -0.17 -0.09 -2.02 0.00 0.00 178.31 176.66 3cys h ARG 37 N 0.97 0.00 0.17 1.11 1.12 0.11 -1.22 114.38 116.64 3cys h ARG 37 Ca 0.24 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.83 3cys h ARG 37 Cb 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.11 3cys h ARG 37 CO -0.03 0.17 -1.18 0.00 -3.11 0.00 0.00 179.97 175.82 3cys h ALA 38 N 1.83 -0.08 0.00 2.80 0.00 0.23 0.46 119.26 124.50 3cys h ALA 38 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3cys h ALA 38 Cb 0.62 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3cys h ALA 38 CO 0.02 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3cys n LEU 39 N -3.88 0.00 -0.11 0.00 4.77 -0.12 0.84 117.00 118.51 3cys n LEU 39 Ca -0.15 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.67 3cys n LEU 39 Cb 0.97 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.96 3cys n LEU 39 CO 0.56 0.00 -1.22 -1.20 -1.33 0.00 0.00 177.39 174.20 3cys n SER 40 N -0.90 2.24 -3.46 -1.43 7.64 -0.49 -2.64 113.62 114.59 3cys n SER 40 Ca 0.18 -0.07 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 3cys n SER 40 Cb 0.08 -0.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 3cys n SER 40 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3cys s THR 41 N -2.43 0.07 0.00 0.44 2.01 0.16 -3.27 115.64 112.62 3cys s THR 41 Ca -0.30 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.17 3cys s THR 41 Cb 0.08 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3cys s THR 41 CO 0.49 -0.93 0.26 0.61 -0.69 0.00 0.00 174.62 174.36 3cys n GLY 42 N 4.21 -1.93 5.00 4.40 0.00 0.25 -4.21 105.19 112.91 3cys n GLY 42 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3cys n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 43 N -0.52 0.00 -0.30 1.61 2.13 -1.26 -4.40 120.64 117.89 3cys n GLU 43 Ca 0.00 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.04 3cys n GLU 43 Cb 0.00 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.22 3cys n GLU 43 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3cys h LYS 44 N 0.00 0.38 0.00 5.31 1.79 -1.92 -3.44 116.57 118.69 3cys h LYS 44 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3cys h LYS 44 Cb 0.00 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3cys h LYS 44 CO 0.00 0.25 0.00 0.41 -1.08 0.00 0.00 179.45 179.03 3cys n GLY 45 N -1.49 0.57 1.21 3.86 0.00 -1.26 -5.15 105.19 102.92 3cys n GLY 45 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.18 0.00 1.61 -1.74 -1.26 -4.98 117.46 109.91 3cys n PHE 46 Ca 0.00 -0.69 0.00 0.00 -0.56 0.00 0.00 57.45 56.20 3cys n PHE 46 Cb 0.00 0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.26 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 -0.19 0.93 2.04 4.97 0.00 -1.26 -3.56 105.19 108.12 3cys n GLY 47 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.81 -3.93 1.61 4.02 -1.08 -2.32 117.16 115.16 3cys n TYR 48 Ca 0.00 0.25 -0.24 0.00 -0.01 0.00 0.00 57.90 57.90 3cys n TYR 48 Cb 0.00 1.05 -0.17 0.00 -0.02 0.00 0.00 39.34 40.19 3cys n TYR 48 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3cys s LYS 49 N -1.15 1.09 0.00 -0.72 -2.85 -1.26 -4.62 119.74 110.24 3cys s LYS 49 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 3cys s LYS 49 Cb 0.00 -1.24 0.00 0.00 -2.06 0.00 0.00 37.83 34.53 3cys s LYS 49 CO 0.00 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3cys n GLY 50 N 4.84 0.69 3.54 0.59 0.00 -1.26 -4.99 105.19 108.61 3cys n GLY 50 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3cys n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 51 N 0.00 1.46 -2.01 1.61 3.41 -1.24 -4.04 113.62 112.81 3cys n SER 51 Ca 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3cys n SER 51 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cys s PHE 53 N -0.31 1.43 0.08 0.00 0.40 -1.25 -0.21 117.98 118.13 3cys s PHE 53 Ca 0.00 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.82 3cys s PHE 53 Cb 0.00 -0.97 -0.20 0.00 0.51 0.00 0.00 43.02 42.36 3cys s PHE 53 CO 0.00 -0.12 1.24 0.45 0.70 0.00 0.00 175.22 177.48 3cys h HIS 54 N 6.21 1.05 -2.39 0.36 3.86 -1.88 -3.47 115.15 118.89 3cys h HIS 54 Ca -0.33 -0.52 -0.08 0.00 -1.16 0.00 0.00 60.37 58.27 3cys h HIS 54 Cb 1.17 -0.14 -0.20 0.00 1.06 0.00 0.00 27.41 29.30 3cys h HIS 54 CO 0.43 1.36 -0.00 -0.98 0.86 0.00 0.00 177.93 179.60 3cys s ARG 55 N -3.50 0.85 -0.03 2.45 1.70 -1.26 -4.83 118.95 114.33 3cys s ARG 55 Ca -0.10 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 3cys s ARG 55 Cb 0.07 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3cys s ARG 55 CO 0.91 -0.23 -0.01 0.42 -1.08 0.00 0.00 175.30 175.31 3cys s ILE 56 N -0.88 0.26 -0.08 4.99 1.01 -1.24 -3.86 121.20 121.39 3cys s ILE 56 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3cys s ILE 56 Cb -0.02 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.11 3cys s ILE 56 CO 0.06 0.17 -0.15 -0.63 0.00 0.00 0.00 174.94 174.39 3cys s ILE 57 N 1.03 1.40 0.12 2.92 1.01 -1.22 -3.40 121.20 123.07 3cys s ILE 57 Ca -0.10 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 3cys s ILE 57 Cb -0.14 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 3cys s ILE 57 CO -0.01 0.42 1.14 -2.16 0.00 0.00 0.00 174.94 174.32 3cys s PRO 58 N 0.70 4.52 -0.07 2.79 0.04 -1.17 -3.24 135.00 138.56 3cys s PRO 58 Ca -0.13 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 3cys s PRO 58 Cb -0.16 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3cys s PRO 58 CO 0.03 -0.08 0.03 0.41 0.04 0.00 0.00 177.00 177.44 3cys n GLY 59 N 2.55 0.65 2.05 0.56 0.00 -1.26 -4.88 105.19 104.87 3cys n GLY 59 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.21 -2.48 -3.75 1.61 7.35 -1.24 -4.91 117.46 110.84 3cys n PHE 60 Ca -0.00 0.41 -0.03 0.00 -0.76 0.00 0.00 57.45 57.07 3cys n PHE 60 Cb 0.51 1.30 -0.01 0.00 0.35 0.00 0.00 39.48 41.63 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 -1.31 1.09 -0.18 -4.13 0.23 -1.20 -2.34 119.30 111.46 3cys s MET 61 Ca 0.00 -0.61 -0.04 0.00 -1.03 0.00 0.00 55.69 54.00 3cys s MET 61 Cb 0.00 0.36 0.06 0.00 -1.53 0.00 0.00 34.83 33.73 3cys s MET 61 CO 0.00 -0.50 0.07 0.00 -2.03 0.00 0.00 175.02 172.56 3cys s GLN 63 N 2.03 1.93 -0.02 0.00 1.03 -1.25 -0.76 119.66 122.61 3cys s GLN 63 Ca 0.01 -1.06 -0.25 0.00 0.04 0.00 0.00 55.36 54.10 3cys s GLN 63 Cb -0.16 -2.12 0.08 0.00 0.03 0.00 0.00 33.01 30.84 3cys s GLN 63 CO -0.09 0.52 1.11 0.41 -2.54 0.00 0.00 175.29 174.70 3cys n GLY 64 N 1.44 0.27 0.00 2.60 0.00 -0.63 -3.78 105.19 105.10 3cys n GLY 64 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.80 -0.27 3.12 -0.02 0.00 0.71 -2.31 105.19 105.63 3cys n GLY 65 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3cys n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cys s ASP 66 N 0.00 -0.09 -0.17 1.61 -1.08 -1.21 -4.39 116.67 111.34 3cys s ASP 66 Ca 0.00 0.72 0.21 0.00 -0.52 0.00 0.00 52.55 52.96 3cys s ASP 66 Cb 0.00 0.79 0.47 0.00 -1.46 0.00 0.00 42.92 42.72 3cys s ASP 66 CO 0.00 -0.21 1.15 2.22 0.52 0.00 0.00 175.17 178.85 3cys n PHE 67 N 4.89 0.92 0.00 -5.34 -1.74 -1.26 -0.27 117.46 114.66 3cys n PHE 67 Ca -0.14 -1.55 0.00 0.00 -0.56 0.00 0.00 57.45 55.19 3cys n PHE 67 Cb 0.51 -0.22 0.00 0.00 1.52 0.00 0.00 39.48 41.30 3cys n PHE 67 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 3cys n THR 68 N -0.30 0.00 0.03 1.97 5.66 -1.26 -4.87 114.28 115.51 3cys n THR 68 Ca 0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.93 3cys n THR 68 Cb 0.93 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.56 3cys n THR 68 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3cys h ARG 69 N 0.00 0.26 -6.14 1.09 9.65 -1.90 -3.49 114.38 113.85 3cys h ARG 69 Ca 0.00 -0.44 -0.41 0.00 -1.10 0.00 0.00 59.98 58.03 3cys h ARG 69 Cb 0.00 0.16 0.08 0.00 -1.39 0.00 0.00 29.97 28.82 3cys h ARG 69 CO 0.00 1.12 -0.91 0.72 2.80 0.00 0.00 179.97 183.70 3cys n HIS 70 N -3.44 -1.95 0.00 2.20 8.25 -1.26 -4.81 115.22 114.21 3cys n HIS 70 Ca -0.25 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 3cys n HIS 70 Cb 1.05 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 28.46 3cys n HIS 70 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3cys n ASN 71 N -2.83 0.00 0.00 0.41 4.13 -1.26 -5.09 115.26 110.61 3cys n ASN 71 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 3cys n ASN 71 Cb 0.62 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cys n GLY 72 N -0.42 -1.44 4.18 7.41 0.00 -1.26 -4.83 105.19 108.82 3cys n GLY 72 Ca 0.00 0.93 -0.35 0.00 0.00 0.00 0.00 46.02 46.60 3cys n GLY 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cys n THR 73 N 0.00 -1.28 0.11 2.61 5.66 -1.26 -4.79 114.28 115.32 3cys n THR 73 Ca 0.00 -0.05 -0.04 0.00 -3.05 0.00 0.00 64.05 60.92 3cys n THR 73 Cb 0.00 -1.87 0.09 0.00 -1.55 0.00 0.00 70.33 67.00 3cys n THR 73 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 3cys h GLY 74 N -1.59 0.05 0.00 1.09 0.00 -1.94 -3.46 103.07 97.23 3cys h GLY 74 Ca -0.59 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3cys h GLY 74 CO 0.76 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.98 3cys n GLY 75 N 0.51 -2.44 3.64 4.60 0.00 -1.26 -4.89 105.19 105.35 3cys n GLY 75 Ca -0.01 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.37 2.01 0.00 1.61 3.01 -1.26 -5.05 119.74 117.68 3cys s LYS 76 Ca 0.00 -2.20 0.00 0.00 -1.01 0.00 0.00 55.97 52.76 3cys s LYS 76 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 37.83 35.39 3cys s LYS 76 CO 0.00 -0.21 0.00 0.45 0.51 0.00 0.00 175.35 176.10 3cys n SER 77 N -1.07 0.00 -0.01 2.83 2.88 0.16 -4.93 113.62 113.48 3cys n SER 77 Ca -0.10 -0.51 -0.02 0.00 -1.33 0.00 0.00 58.87 56.92 3cys n SER 77 Cb 0.67 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.01 3cys n SER 77 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3cys n ILE 78 N -0.64 1.13 0.95 2.46 2.08 -1.26 -4.03 119.36 120.05 3cys n ILE 78 Ca 0.00 -0.72 0.10 0.00 0.56 0.00 0.00 62.75 62.70 3cys n ILE 78 Cb 0.00 -0.62 -0.04 0.00 -0.75 0.00 0.00 39.64 38.23 3cys n ILE 78 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3cys n TYR 79 N -2.79 0.00 0.00 1.39 4.01 -1.26 -5.06 117.16 113.44 3cys n TYR 79 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3cys n TYR 79 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 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 1.40 -0.14 0.08 2.72 0.00 -1.26 -4.90 105.19 103.10 3cys n GLY 80 Ca 0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -2.46 1.61 4.22 -1.95 0.47 114.58 116.47 3cys h GLU 81 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.60 3cys h GLU 81 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3cys h GLU 81 CO 0.00 0.84 0.49 -1.59 -2.18 0.00 0.00 179.01 176.57 3cys s LYS 82 N -2.74 1.32 0.01 1.92 -2.85 -1.26 -4.14 119.74 112.01 3cys s LYS 82 Ca 0.01 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 3cys s LYS 82 Cb 0.09 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 3cys s LYS 82 CO 0.81 -0.61 -0.02 0.12 0.10 0.00 0.00 175.35 175.75 3cys s PHE 83 N -2.88 0.17 1.17 1.78 5.36 0.74 -4.85 117.98 119.47 3cys s PHE 83 Ca 0.15 -0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 55.71 3cys s PHE 83 Cb -0.02 -0.12 0.27 0.00 -0.34 0.00 0.00 43.02 42.81 3cys s PHE 83 CO 0.04 -0.09 1.04 -1.83 -1.46 0.00 0.00 175.22 172.92 3cys s GLU 84 N -0.73 -0.92 -0.15 10.12 -1.05 -1.26 -3.57 118.70 121.14 3cys s GLU 84 Ca -0.08 0.55 -0.07 0.00 -0.15 0.00 0.00 54.97 55.22 3cys s GLU 84 Cb -0.05 -1.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.02 3cys s GLU 84 CO -0.00 -3.64 0.11 -0.51 0.95 0.00 0.00 175.26 172.16 3cys s ASP 85 N -2.98 6.07 0.00 0.83 1.01 -1.26 -4.86 116.67 115.48 3cys s ASP 85 Ca 0.68 0.29 0.00 0.00 0.71 0.00 0.00 52.55 54.23 3cys s ASP 85 Cb -0.20 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.73 3cys s ASP 85 CO 0.61 0.29 0.00 -1.84 0.21 0.00 0.00 175.17 174.45 3cys n GLU 86 N 2.74 0.00 -3.74 8.23 0.00 -1.26 -5.04 120.64 121.57 3cys n GLU 86 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.88 3cys n GLU 86 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.92 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 -1.49 -0.09 -0.58 -1.84 4.22 -1.26 -5.05 114.94 108.86 3cys s ASN 87 Ca 0.00 -0.49 -0.02 0.00 -2.14 0.00 0.00 52.86 50.21 3cys s ASN 87 Cb 0.00 0.43 0.25 0.00 1.28 0.00 0.00 41.25 43.22 3cys s ASN 87 CO 0.00 -0.83 2.26 0.49 -2.04 0.00 0.00 177.10 176.99 3cys n PHE 88 N -0.18 2.30 0.20 1.54 3.72 -1.26 -4.40 117.46 119.38 3cys n PHE 88 Ca -0.15 -2.29 0.05 0.00 -0.05 0.00 0.00 57.45 55.01 3cys n PHE 88 Cb 0.63 -1.26 0.42 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.57 1.11 -3.77 4.37 2.04 -1.96 -3.43 117.51 117.44 3cys h ILE 89 Ca 0.47 -1.14 -0.46 0.00 1.00 0.00 0.00 64.86 64.73 3cys h ILE 89 Cb 0.60 1.63 0.10 0.00 -0.74 0.00 0.00 36.82 38.41 3cys h ILE 89 CO 1.16 0.31 0.29 -0.76 0.00 0.00 0.00 178.15 179.15 3cys s LEU 90 N -7.98 2.76 0.33 1.44 2.01 -1.26 -5.11 118.68 110.87 3cys s LEU 90 Ca -0.03 0.36 0.03 0.00 0.01 0.00 0.00 54.13 54.50 3cys s LEU 90 Cb 0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 46.19 43.53 3cys s LEU 90 CO 0.70 -1.96 0.36 -0.54 1.01 0.00 0.00 176.35 175.91 3cys s LYS 91 N -5.45 1.81 -0.35 1.70 1.02 -1.26 -4.91 119.74 112.30 3cys s LYS 91 Ca 0.65 -1.90 -0.03 0.00 0.02 0.00 0.00 55.97 54.71 3cys s LYS 91 Cb -0.08 0.37 0.07 0.00 -0.52 0.00 0.00 37.83 37.67 3cys s LYS 91 CO 0.47 -0.70 0.10 -1.01 -0.92 0.00 0.00 175.35 173.29 3cys s HIS 92 N -3.30 3.39 0.08 3.18 3.76 -1.26 -4.88 115.29 116.26 3cys s HIS 92 Ca 0.36 -2.01 -0.11 0.00 -0.15 0.00 0.00 55.06 53.15 3cys s HIS 92 Cb 0.01 -2.57 -0.23 0.00 1.11 0.00 0.00 32.58 30.90 3cys s HIS 92 CO 0.24 -0.86 1.17 1.79 -0.85 0.00 0.00 174.74 176.23 3cys h THR 93 N 6.38 1.34 0.00 1.30 1.35 -1.97 -3.46 112.91 117.84 3cys h THR 93 Ca -0.18 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 3cys h THR 93 Cb 1.06 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3cys h THR 93 CO 0.61 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 177.24 3cys n GLY 94 N 1.25 -0.76 3.79 5.82 0.00 -1.26 -4.91 105.19 109.12 3cys n GLY 94 Ca -0.11 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.04 3.96 0.00 1.61 0.04 -1.24 -4.17 135.00 134.16 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 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3cys s PRO 95 CO 0.00 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.14 3cys n GLY 96 N 0.02 0.78 2.96 0.56 0.00 0.15 -4.86 105.19 104.80 3cys n GLY 96 Ca 0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.57 1.33 -0.21 -0.61 -1.09 -0.94 -1.79 121.20 115.33 3cys s ILE 97 Ca 0.00 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.59 3cys s ILE 97 Cb 0.00 -1.34 -0.01 0.00 -1.58 0.00 0.00 42.46 39.53 3cys s ILE 97 CO 0.00 0.34 0.88 -0.22 -1.23 0.00 0.00 174.94 174.71 3cys s LEU 98 N 1.57 4.12 0.17 2.97 2.96 -1.15 -0.87 118.68 128.46 3cys s LEU 98 Ca 0.03 1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 3cys s LEU 98 Cb -0.14 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3cys s LEU 98 CO -0.09 -0.51 0.15 -0.94 -1.32 0.00 0.00 176.35 173.64 3cys s SER 99 N 1.24 0.18 -0.07 3.68 1.04 -0.73 -2.79 113.70 116.25 3cys s SER 99 Ca 0.39 -1.22 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3cys s SER 99 Cb -0.16 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 3cys s SER 99 CO 0.09 -0.83 -0.08 -0.04 0.98 0.00 0.00 173.24 173.36 3cys s MET 100 N -4.08 2.72 0.11 4.02 -1.94 0.80 -0.85 119.30 120.07 3cys s MET 100 Ca 0.30 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 3cys s MET 100 Cb 0.06 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 3cys s MET 100 CO 0.07 0.66 0.02 0.00 -0.01 0.00 0.00 175.02 175.76 3cys s ALA 101 N -0.79 3.35 0.17 3.03 0.00 -0.07 -3.65 121.76 123.79 3cys s ALA 101 Ca 0.12 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 3cys s ALA 101 Cb -0.11 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.86 3cys s ALA 101 CO 0.01 0.66 0.60 0.54 0.00 0.00 0.00 175.76 177.57 3cys s ASN 102 N -2.50 -0.53 -0.27 0.00 2.20 -1.26 -4.61 114.94 107.96 3cys s ASN 102 Ca 0.27 -0.07 0.11 0.00 -0.94 0.00 0.00 52.86 52.23 3cys s ASN 102 Cb -0.11 0.60 0.54 0.00 -2.00 0.00 0.00 41.25 40.28 3cys s ASN 102 CO 0.19 -0.99 1.51 0.00 -2.94 0.00 0.00 177.10 174.87 3cys n ALA 103 N -0.38 4.06 0.00 3.54 0.00 -1.26 -5.04 120.51 121.43 3cys n ALA 103 Ca -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.44 3cys n ALA 103 Cb 0.64 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.91 -0.05 3.71 0.00 0.00 -1.26 -5.04 105.19 101.64 3cys n GLY 104 Ca 0.33 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.84 4.45 -0.83 1.61 0.04 -1.26 -3.79 135.00 133.38 3cys s PRO 105 Ca 0.00 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 3cys s PRO 105 Cb 0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3cys s PRO 105 CO 0.00 -0.23 0.71 -1.71 0.04 0.00 0.00 177.00 175.81 3cys n ASN 106 N 3.97 -3.66 0.00 6.66 4.05 -1.26 -4.89 115.26 120.12 3cys n ASN 106 Ca 0.09 -0.37 0.00 0.00 0.45 0.00 0.00 54.58 54.75 3cys n ASN 106 Cb 0.47 -3.43 0.00 0.00 1.23 0.00 0.00 39.78 38.05 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3cys n THR 107 N -3.65 0.00 -3.08 -0.44 -2.24 -1.25 -4.44 114.28 99.18 3cys n THR 107 Ca -0.07 -0.48 -0.39 0.00 -2.27 0.00 0.00 64.05 60.83 3cys n THR 107 Cb 0.57 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 3cys n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3cys s ASN 108 N -0.31 7.19 0.00 3.42 0.02 -1.23 -4.74 114.94 119.29 3cys s ASN 108 Ca 0.00 1.42 0.00 0.00 -1.02 0.00 0.00 52.86 53.26 3cys s ASN 108 Cb 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.83 3cys s ASN 108 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.10 177.87 3cys n GLY 109 N 2.03 0.00 0.00 0.66 0.00 -1.26 -0.18 105.19 106.43 3cys n GLY 109 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3cys n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 110 N 0.00 0.00 -4.55 1.61 3.41 -1.26 -4.08 113.62 108.75 3cys n SER 110 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3cys n SER 110 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3cys n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cys s GLN 111 N 0.00 3.30 0.37 4.33 -1.52 -1.26 -4.53 119.66 120.35 3cys s GLN 111 Ca 0.00 -0.55 0.08 0.00 -1.95 0.00 0.00 55.36 52.94 3cys s GLN 111 Cb 0.00 -4.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.08 3cys s GLN 111 CO 0.00 -2.23 0.16 -0.59 -0.25 0.00 0.00 175.29 172.38 3cys s PHE 112 N 5.70 2.65 -0.06 0.91 -0.12 -0.98 -0.89 117.98 125.20 3cys s PHE 112 Ca 0.42 -0.47 -0.18 0.00 -0.05 0.00 0.00 56.93 56.64 3cys s PHE 112 Cb -0.05 -1.78 0.04 0.00 -0.63 0.00 0.00 43.02 40.60 3cys s PHE 112 CO 0.05 0.27 0.42 -0.59 -0.05 0.00 0.00 175.22 175.32 3cys s PHE 113 N -2.50 -0.36 -0.28 3.49 -0.71 -0.03 -1.60 117.98 115.98 3cys s PHE 113 Ca 0.39 0.70 -0.15 0.00 -1.04 0.00 0.00 56.93 56.84 3cys s PHE 113 Cb -0.00 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 3cys s PHE 113 CO 0.23 -0.39 0.35 0.42 -1.34 0.00 0.00 175.22 174.49 3cys s ILE 114 N -0.86 5.19 -0.34 -4.49 1.01 0.06 -1.78 121.20 119.99 3cys s ILE 114 Ca -0.09 0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.75 3cys s ILE 114 Cb -0.04 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3cys s ILE 114 CO 0.04 0.13 0.98 0.00 0.00 0.00 0.00 174.94 176.10 3cys n THR 116 N 5.89 2.88 -3.76 0.00 -1.04 -0.99 0.33 114.28 117.59 3cys n THR 116 Ca 0.09 -2.54 -0.02 0.00 -2.04 0.00 0.00 64.05 59.54 3cys n THR 116 Cb 0.48 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -3.33 -1.81 -0.75 2.41 0.00 -1.24 -4.54 121.76 112.50 3cys s ALA 117 Ca 0.51 0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 3cys s ALA 117 Cb 0.44 0.61 0.07 0.00 0.00 0.00 0.00 23.12 24.25 3cys s ALA 117 CO 0.04 -1.06 1.10 0.21 0.00 0.00 0.00 175.76 176.05 3cys s LYS 118 N -2.77 3.25 -0.85 0.00 2.20 -1.26 -3.61 119.74 116.70 3cys s LYS 118 Ca 0.16 -0.89 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 3cys s LYS 118 Cb -0.00 -4.43 0.21 0.00 -1.51 0.00 0.00 37.83 32.10 3cys s LYS 118 CO 0.01 -1.91 0.73 0.95 -0.36 0.00 0.00 175.35 174.78 3cys s THR 119 N 4.26 4.50 -1.16 3.43 -4.23 -1.26 -4.86 115.64 116.31 3cys s THR 119 Ca 0.28 -3.47 0.27 0.00 -1.18 0.00 0.00 61.69 57.59 3cys s THR 119 Cb -0.12 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.24 3cys s THR 119 CO 0.06 -1.04 1.90 -0.62 -0.54 0.00 0.00 174.62 174.37 3cys n GLU 120 N 2.80 0.15 0.00 3.99 -0.58 -1.26 -2.01 120.64 123.73 3cys n GLU 120 Ca 0.18 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 57.08 3cys n GLU 120 Cb 0.38 -1.50 0.39 0.00 -0.57 0.00 0.00 31.44 30.14 3cys n GLU 120 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3cys n TRP 121 N -1.42 0.00 0.53 -0.32 2.14 -1.26 -3.04 117.44 114.07 3cys n TRP 121 Ca 0.09 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.71 3cys n TRP 121 Cb 0.28 -0.17 -0.05 0.00 -0.81 0.00 0.00 31.31 30.56 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 -0.91 0.70 -0.31 5.67 4.77 -0.85 -4.61 117.00 121.46 3cys n LEU 122 Ca 0.11 -0.56 0.01 0.00 -0.03 0.00 0.00 56.01 55.54 3cys n LEU 122 Cb 0.33 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.62 3cys n LEU 122 CO 0.28 0.16 1.26 -0.78 -1.33 0.00 0.00 177.39 176.98 3cys h ASP 123 N 0.28 0.99 -0.98 -1.43 3.58 -1.42 0.14 116.42 117.58 3cys h ASP 123 Ca 0.00 -0.01 -0.59 0.00 0.42 0.00 0.00 57.03 56.85 3cys h ASP 123 Cb 0.29 -0.23 -0.30 0.00 1.72 0.00 0.00 39.33 40.82 3cys h ASP 123 CO 0.00 0.68 0.72 0.61 -2.88 0.00 0.00 179.24 178.37 3cys n GLY 124 N -1.39 5.22 1.94 -0.78 0.00 -1.26 -4.35 105.19 104.56 3cys n GLY 124 Ca 0.12 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.03 0.00 -2.97 1.61 5.02 -0.33 -5.12 118.16 115.33 3cys n LYS 125 Ca 0.60 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.65 3cys n LYS 125 Cb 1.15 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 36.13 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 126 N -2.00 3.39 -0.02 2.13 3.76 -0.11 -5.04 115.29 117.40 3cys s HIS 126 Ca 0.00 0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 3cys s HIS 126 Cb 0.00 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 3cys s HIS 126 CO 0.00 -0.24 0.15 0.08 -0.85 0.00 0.00 174.74 173.89 3cys s VAL 127 N -2.56 5.27 -0.15 -0.90 1.01 -1.24 -4.85 120.40 116.97 3cys s VAL 127 Ca 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3cys s VAL 127 Cb -0.10 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3cys s VAL 127 CO 0.40 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 175.02 3cys s VAL 128 N -1.27 2.91 -0.00 2.92 1.01 -1.26 -0.14 120.40 124.56 3cys s VAL 128 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3cys s VAL 128 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3cys s VAL 128 CO 0.17 0.51 0.73 2.22 0.00 0.00 0.00 175.10 178.73 3cys n PHE 129 N 3.85 0.00 -3.88 5.22 -1.74 -1.12 -4.78 117.46 115.01 3cys n PHE 129 Ca -0.18 -0.01 -0.00 0.00 -0.56 0.00 0.00 57.45 56.69 3cys n PHE 129 Cb 0.52 -0.02 0.01 0.00 1.52 0.00 0.00 39.48 41.51 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 -0.02 0.54 3.42 4.97 0.00 -1.20 -1.10 105.19 111.81 3cys n GLY 130 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 3cys n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 131 N -2.03 0.62 -0.08 1.61 2.20 0.43 -2.92 119.74 119.58 3cys s LYS 131 Ca 0.21 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 3cys s LYS 131 Cb -0.01 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3cys s LYS 131 CO 0.02 -0.08 1.53 0.08 -0.36 0.00 0.00 175.35 176.54 3cys s VAL 132 N 0.21 3.77 0.00 4.02 1.01 -0.74 -1.74 120.40 126.93 3cys s VAL 132 Ca -0.00 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3cys s VAL 132 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3cys s VAL 132 CO 0.01 -0.08 0.00 1.17 0.00 0.00 0.00 175.10 176.20 3cys n LYS 133 N 6.84 0.00 -3.90 2.72 0.00 -1.02 -4.93 118.16 117.87 3cys n LYS 133 Ca 0.16 0.27 -0.10 0.00 0.00 0.00 0.00 58.31 58.64 3cys n LYS 133 Cb 0.43 -0.76 -0.09 0.00 0.00 0.00 0.00 35.03 34.61 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 -0.94 0.57 0.00 1.64 2.02 -1.15 -4.91 118.70 115.93 3cys s GLU 134 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3cys s GLU 134 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 3cys s GLU 134 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3cys n GLY 135 N 0.93 1.46 0.15 -1.39 0.00 -1.26 -0.82 105.19 104.27 3cys n GLY 135 Ca -0.20 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.00 0.00 1.61 -0.00 -1.91 -2.79 114.93 111.84 3cys h MET 136 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 3cys h MET 136 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.71 3cys h MET 136 CO 0.00 0.00 -0.24 -0.97 -0.00 0.00 0.00 176.91 175.70 3cys h ASN 137 N 0.00 0.00 0.68 -0.10 -1.24 -1.96 0.13 115.58 113.09 3cys h ASN 137 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 3cys h ASN 137 Cb 0.69 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 3cys h ASN 137 CO 0.00 0.24 -0.96 0.40 -1.29 0.00 0.00 177.43 175.81 3cys h ILE 138 N 0.00 1.54 -0.22 2.57 5.03 -1.85 -1.39 117.51 123.18 3cys h ILE 138 Ca -0.00 -2.86 -0.14 0.00 -0.12 0.00 0.00 64.86 61.74 3cys h ILE 138 Cb 0.69 2.63 -0.01 0.00 -3.03 0.00 0.00 36.82 37.09 3cys h ILE 138 CO 0.03 0.83 -0.46 0.58 -0.68 0.00 0.00 178.15 178.45 3cys h VAL 139 N 0.08 1.31 -0.68 1.67 2.07 -1.38 -2.02 116.25 117.30 3cys h VAL 139 Ca -0.05 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 3cys h VAL 139 Cb 1.64 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 3cys h VAL 139 CO 0.14 0.52 0.25 -0.08 0.02 0.00 0.00 177.57 178.43 3cys h GLU 140 N 0.46 1.02 0.60 1.57 4.22 -0.68 -1.58 114.58 120.19 3cys h GLU 140 Ca 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 59.36 59.24 3cys h GLU 140 Cb 0.98 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3cys h GLU 140 CO 0.09 0.86 -0.30 0.00 -2.18 0.00 0.00 179.01 177.48 3cys h ALA 141 N 1.11 -0.83 0.00 2.92 0.00 -1.00 -2.41 119.26 119.05 3cys h ALA 141 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3cys h ALA 141 Cb 0.24 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3cys h ALA 141 CO -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 179.25 178.21 3cys h MET 142 N -0.83 0.00 -0.36 0.00 -0.00 -1.35 -1.31 114.93 111.09 3cys h MET 142 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.52 3cys h MET 142 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.23 3cys h MET 142 CO 0.12 0.06 -0.20 0.93 -0.00 0.00 0.00 176.91 177.82 3cys h GLU 143 N 0.00 0.69 0.00 -0.10 5.08 -0.80 -2.63 114.58 116.82 3cys h GLU 143 Ca -0.00 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3cys h GLU 143 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3cys h GLU 143 CO 0.01 0.84 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.52 3cys h ARG 144 N 0.61 0.00 0.00 2.33 9.65 -0.89 -2.91 114.38 123.18 3cys h ARG 144 Ca 0.09 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.86 3cys h ARG 144 Cb 0.68 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 3cys h ARG 144 CO 0.05 0.25 -0.51 0.35 2.80 0.00 0.00 179.97 182.90 3cys h PHE 145 N 0.00 0.00 -0.22 2.20 3.04 -1.41 -2.83 116.94 117.72 3cys h PHE 145 Ca -0.00 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 3cys h PHE 145 Cb 0.73 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 3cys h PHE 145 CO 0.00 0.51 -0.54 0.78 -2.02 0.00 0.00 178.31 177.04 3cys h GLY 146 N 2.13 0.84 -1.24 2.40 0.00 -1.49 -3.34 103.07 102.37 3cys h GLY 146 Ca -0.01 -1.03 0.15 0.00 0.00 0.00 0.00 47.33 46.44 3cys h GLY 146 CO 0.07 0.93 -0.20 1.44 0.00 0.00 0.00 176.54 178.77 3cys n SER 147 N -4.08 -3.89 0.16 0.19 7.64 -1.07 -1.66 113.62 110.91 3cys n SER 147 Ca -0.06 0.60 0.04 0.00 1.01 0.00 0.00 58.87 60.46 3cys n SER 147 Cb 0.62 -1.69 0.44 0.00 -1.01 0.00 0.00 64.21 62.57 3cys n SER 147 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3cys h ARG 148 N 0.00 0.14 0.00 1.43 0.11 -1.90 0.89 114.38 115.05 3cys h ARG 148 Ca 0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3cys h ARG 148 Cb 0.51 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3cys h ARG 148 CO 0.00 0.30 0.00 -2.95 0.10 0.00 0.00 179.97 177.42 3cys h ASN 149 N 0.14 0.00 -2.41 0.08 -1.07 -1.93 -3.46 115.58 106.93 3cys h ASN 149 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.31 3cys h ASN 149 Cb 0.35 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 36.64 3cys h ASN 149 CO 0.02 0.00 -0.17 0.61 0.07 0.00 0.00 177.43 177.96 3cys n GLY 150 N -0.28 0.48 3.62 9.14 0.00 0.31 -5.04 105.19 113.42 3cys n GLY 150 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.01 0.64 0.65 1.61 2.20 -0.66 -3.67 119.74 115.51 3cys s LYS 151 Ca 0.10 0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 56.16 3cys s LYS 151 Cb -0.04 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3cys s LYS 151 CO 0.18 -0.10 1.17 0.95 -0.36 0.00 0.00 175.35 177.18 3cys s THR 152 N 0.01 2.80 -0.94 3.43 -4.23 -1.26 -4.40 115.64 111.04 3cys s THR 152 Ca 0.01 0.42 0.23 0.00 -1.18 0.00 0.00 61.69 61.17 3cys s THR 152 Cb -0.04 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 3cys s THR 152 CO -0.02 -0.18 1.19 -1.54 -0.54 0.00 0.00 174.62 173.53 3cys n SER 153 N -2.18 0.68 0.00 3.99 3.41 -1.25 -4.89 113.62 113.38 3cys n SER 153 Ca 0.12 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 3cys n SER 153 Cb 0.51 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 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 -1.58 0.00 -3.68 4.33 5.02 -1.26 -5.16 118.16 115.83 3cys n LYS 154 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 3cys n LYS 154 Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.26 3cys n LYS 154 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3cys s LYS 155 N 1.35 0.49 -0.09 1.97 -2.85 -1.26 -5.06 119.74 114.29 3cys s LYS 155 Ca 0.00 0.90 -0.00 0.00 -1.00 0.00 0.00 55.97 55.86 3cys s LYS 155 Cb 0.00 0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.84 3cys s LYS 155 CO 0.00 -0.15 -0.05 0.42 0.10 0.00 0.00 175.35 175.67 3cys s ILE 156 N 1.36 0.81 0.29 3.79 1.01 -1.26 -0.56 121.20 126.64 3cys s ILE 156 Ca -0.09 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3cys s ILE 156 Cb -0.07 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3cys s ILE 156 CO -0.13 0.33 0.24 0.42 0.00 0.00 0.00 174.94 175.79 3cys s THR 157 N 1.65 0.00 0.49 2.92 -4.23 -0.62 -3.86 115.64 111.99 3cys s THR 157 Ca 0.02 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.31 3cys s THR 157 Cb -0.13 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.14 3cys s THR 157 CO -0.06 0.00 1.15 -0.38 -0.54 0.00 0.00 174.62 174.79 3cys n ILE 158 N -0.52 3.09 -0.10 2.99 5.41 -1.26 -0.54 119.36 128.44 3cys n ILE 158 Ca 0.06 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 63.14 3cys n ILE 158 Cb 0.63 -1.38 -0.08 0.00 -0.71 0.00 0.00 39.64 38.10 3cys n ILE 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cys n ALA 159 N -0.84 0.74 -3.82 -1.39 0.00 0.29 -4.45 120.51 111.04 3cys n ALA 159 Ca 0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 3cys n ALA 159 Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3cys n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cys s ASP 160 N -6.55 -0.10 0.35 0.00 1.01 -1.23 -5.01 116.67 105.14 3cys s ASP 160 Ca -0.26 -0.68 -0.16 0.00 0.71 0.00 0.00 52.55 52.16 3cys s ASP 160 Cb 0.06 0.61 0.04 0.00 1.01 0.00 0.00 42.92 44.64 3cys s ASP 160 CO 0.46 -1.18 0.74 0.00 0.21 0.00 0.00 175.17 175.40 3cys n GLY 162 N -0.51 -0.58 2.81 0.00 0.00 -1.20 -4.93 105.19 100.78 3cys n GLY 162 Ca -0.06 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 3cys n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cys s GLN 163 N -0.34 0.84 0.48 1.61 2.00 -1.26 -1.00 119.66 122.00 3cys s GLN 163 Ca 0.00 0.01 0.01 0.00 -2.00 0.00 0.00 55.36 53.38 3cys s GLN 163 Cb 0.00 -1.12 0.01 0.00 0.80 0.00 0.00 33.01 32.70 3cys s GLN 163 CO 0.00 -0.28 0.70 -0.51 -0.50 0.00 0.00 175.29 174.70 3cys s LEU 164 N 1.85 3.54 0.00 3.68 1.43 0.60 -4.88 118.68 124.90 3cys s LEU 164 Ca 0.04 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3cys s LEU 164 Cb -0.12 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.03 3cys s LEU 164 CO -0.06 -0.83 0.44 -1.84 0.23 0.00 0.00 176.35 174.28