#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6t n ARG 6 N 0.00 0.25 -3.83 0.54 1.85 -1.26 -4.88 116.66 109.33 1t6t n ARG 6 Ca 0.00 0.13 -0.08 0.00 -1.00 0.00 0.00 57.85 56.89 1t6t n ARG 6 Cb 0.00 -1.71 0.01 0.00 -1.05 0.00 0.00 32.46 29.71 1t6t n ARG 6 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1t6t s ASN 7 N -4.21 -0.08 0.40 2.89 2.20 -1.26 -5.03 114.94 109.85 1t6t s ASN 7 Ca 0.09 -0.97 0.07 0.00 -0.94 0.00 0.00 52.86 51.11 1t6t s ASN 7 Cb 0.13 0.81 0.83 0.00 -2.00 0.00 0.00 41.25 41.03 1t6t s ASN 7 CO 0.66 -1.57 2.03 0.25 -2.94 0.00 0.00 177.10 175.53 1t6t h LEU 8 N 2.00 0.44 -0.51 3.54 5.85 -1.99 -0.82 115.31 123.82 1t6t h LEU 8 Ca -0.28 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1t6t h LEU 8 Cb 1.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1t6t h LEU 8 CO 0.35 0.36 0.18 -1.28 -0.34 0.00 0.00 178.44 177.71 1t6t h SER 9 N 0.50 0.73 0.67 1.25 0.87 -2.00 -0.97 113.55 114.60 1t6t h SER 9 Ca 0.13 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1t6t h SER 9 Cb 0.03 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1t6t h SER 9 CO -0.02 0.72 -0.59 -0.33 -0.53 0.00 0.00 176.83 176.07 1t6t h GLU 10 N 0.69 0.00 -0.39 2.24 5.08 -1.83 -2.07 114.58 118.31 1t6t h GLU 10 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1t6t h GLU 10 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1t6t h GLU 10 CO -0.01 0.59 0.17 2.35 -1.00 0.00 0.00 179.01 181.11 1t6t h TRP 11 N 0.00 0.58 -0.50 4.33 7.01 -0.73 0.11 115.95 126.75 1t6t h TRP 11 Ca -0.01 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 1t6t h TRP 11 Cb 1.09 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 1t6t h TRP 11 CO 0.00 0.51 0.20 0.82 -2.79 0.00 0.00 178.44 177.17 1t6t h ILE 12 N 0.49 1.21 -0.54 2.65 2.04 -1.03 0.89 117.51 123.22 1t6t h ILE 12 Ca 0.13 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1t6t h ILE 12 Cb 0.16 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1t6t h ILE 12 CO -0.01 0.25 0.34 0.50 0.00 0.00 0.00 178.15 179.23 1t6t h LYS 13 N 0.66 0.72 -0.32 2.37 3.64 -1.04 -0.57 116.57 122.04 1t6t h LYS 13 Ca 0.17 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1t6t h LYS 13 Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1t6t h LYS 13 CO -0.01 0.51 -0.35 0.93 -2.27 0.00 0.00 179.45 178.26 1t6t h GLU 14 N 0.73 0.73 -0.61 1.90 4.39 -0.52 -2.27 114.58 118.93 1t6t h GLU 14 Ca 0.20 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1t6t h GLU 14 Cb -0.04 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1t6t h GLU 14 CO -0.04 0.97 0.03 1.25 -1.16 0.00 0.00 179.01 180.06 1t6t h LEU 15 N 0.61 1.01 -0.33 1.33 5.85 -0.52 -0.03 115.31 123.23 1t6t h LEU 15 Ca 0.06 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1t6t h LEU 15 Cb 0.88 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1t6t h LEU 15 CO 0.08 1.05 0.16 0.50 -0.34 0.00 0.00 178.44 179.88 1t6t h LYS 16 N 0.96 0.48 -0.24 1.25 3.64 -0.98 0.12 116.57 121.80 1t6t h LYS 16 Ca 0.18 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1t6t h LYS 16 Cb 0.51 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1t6t h LYS 16 CO 0.02 0.44 0.12 -0.22 -2.27 0.00 0.00 179.45 177.55 1t6t h LYS 17 N 0.39 0.25 0.00 1.90 3.64 -1.16 -2.48 116.57 119.11 1t6t h LYS 17 Ca 0.11 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1t6t h LYS 17 Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1t6t h LYS 17 CO -0.01 0.16 -0.16 0.00 -2.27 0.00 0.00 179.45 177.17 1t6t h ALA 18 N 1.12 1.59 0.00 5.00 0.00 -0.71 -2.61 119.26 123.64 1t6t h ALA 18 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t6t h ALA 18 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1t6t h ALA 18 CO -0.06 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1t6t n SER 19 N -4.14 0.00 0.02 0.00 3.41 0.00 -1.08 113.62 111.84 1t6t n SER 19 Ca -0.02 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1t6t n SER 19 Cb 0.24 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1t6t n SER 19 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t6t n ARG 20 N -1.33 0.14 -0.00 4.33 3.00 -0.98 -4.18 116.66 117.63 1t6t n ARG 20 Ca 0.05 0.02 0.02 0.00 -0.01 0.00 0.00 57.85 57.93 1t6t n ARG 20 Cb 0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 32.46 30.97 1t6t n ARG 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1t6t n GLU 21 N -1.76 4.70 -3.74 5.56 -0.58 -0.24 -5.05 120.64 119.53 1t6t n GLU 21 Ca 0.04 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1t6t n GLU 21 Cb 0.38 -0.76 -0.07 0.00 -0.57 0.00 0.00 31.44 30.42 1t6t n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1t6t s ALA 22 N -1.55 -0.75 -0.00 0.62 0.00 -0.41 -4.61 121.76 115.06 1t6t s ALA 22 Ca 0.01 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1t6t s ALA 22 Cb 0.03 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 1t6t s ALA 22 CO 0.17 -0.42 0.42 0.08 0.00 0.00 0.00 175.76 176.01 1t6t s VAL 23 N -2.54 5.02 -0.11 0.00 1.01 -0.99 -4.25 120.40 118.54 1t6t s VAL 23 Ca -0.05 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.66 1t6t s VAL 23 Cb -0.01 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1t6t s VAL 23 CO -0.03 0.56 0.34 -0.63 0.00 0.00 0.00 175.10 175.34 1t6t s ILE 24 N -0.95 5.23 -0.14 2.22 1.01 -0.51 -0.02 121.20 128.05 1t6t s ILE 24 Ca 0.24 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1t6t s ILE 24 Cb -0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1t6t s ILE 24 CO 0.14 0.45 -0.11 -0.76 0.00 0.00 0.00 174.94 174.66 1t6t s LEU 25 N -0.07 2.84 0.30 2.97 1.43 0.08 -0.56 118.68 125.67 1t6t s LEU 25 Ca 0.20 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1t6t s LEU 25 Cb -0.14 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1t6t s LEU 25 CO 0.07 0.16 0.06 0.68 0.23 0.00 0.00 176.35 177.56 1t6t s VAL 26 N 0.37 1.03 -0.13 -1.59 -7.23 -0.42 -1.00 120.40 111.43 1t6t s VAL 26 Ca -0.09 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 57.82 1t6t s VAL 26 Cb -0.15 -2.70 -0.23 0.00 0.56 0.00 0.00 36.38 33.86 1t6t s VAL 26 CO 0.05 -0.04 0.69 -0.08 -0.31 0.00 0.00 175.10 175.41 1t6t h GLU 27 N 2.22 -0.00 -5.85 4.82 4.22 -1.85 0.77 114.58 118.90 1t6t h GLU 27 Ca -0.40 0.00 -0.62 0.00 0.08 0.00 0.00 59.36 58.42 1t6t h GLU 27 Cb 1.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 1t6t h GLU 27 CO 0.67 0.87 -0.64 0.20 -2.18 0.00 0.00 179.01 177.93 1t6t s GLY 28 N -4.11 2.30 0.43 1.92 0.00 -1.26 -0.89 107.32 105.70 1t6t s GLY 28 Ca -0.17 -2.15 0.09 0.00 0.00 0.00 0.00 44.72 42.49 1t6t s GLY 28 CO 0.61 -2.04 2.06 1.70 0.00 0.00 0.00 173.10 175.44 1t6t h LYS 29 N 1.89 0.41 0.00 2.90 3.64 -1.94 -1.51 116.57 121.96 1t6t h LYS 29 Ca -0.43 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.80 1t6t h LYS 29 Cb 1.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1t6t h LYS 29 CO 0.74 0.29 -0.56 -0.91 -2.27 0.00 0.00 179.45 176.73 1t6t h ASN 30 N 0.42 0.00 -0.31 4.20 2.35 -1.98 -0.40 115.58 119.86 1t6t h ASN 30 Ca 0.11 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1t6t h ASN 30 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1t6t h ASN 30 CO -0.02 0.56 -0.49 0.44 -1.65 0.00 0.00 177.43 176.27 1t6t h ASP 31 N 0.00 0.98 -0.68 5.81 3.32 -1.70 -1.22 116.42 122.92 1t6t h ASP 31 Ca -0.01 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 1t6t h ASP 31 Cb 1.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1t6t h ASP 31 CO 0.07 1.30 0.15 0.50 -1.72 0.00 0.00 179.24 179.54 1t6t h LYS 32 N 0.70 1.10 -0.65 3.56 3.64 -1.12 -2.16 116.57 121.64 1t6t h LYS 32 Ca 0.03 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1t6t h LYS 32 Cb 1.10 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1t6t h LYS 32 CO 0.11 0.98 0.19 -0.22 -2.27 0.00 0.00 179.45 178.24 1t6t h LYS 33 N 1.03 1.02 -0.48 1.90 3.64 -0.92 -1.82 116.57 120.93 1t6t h LYS 33 Ca 0.21 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1t6t h LYS 33 Cb 0.39 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1t6t h LYS 33 CO 0.00 0.90 0.31 0.00 -2.27 0.00 0.00 179.45 178.40 1t6t h ALA 34 N 1.07 0.61 -0.33 5.00 0.00 -0.92 -2.32 119.26 122.37 1t6t h ALA 34 Ca 0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1t6t h ALA 34 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1t6t h ALA 34 CO -0.00 0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 179.15 1t6t h LEU 35 N 0.64 0.53 -1.80 0.00 3.38 -1.19 -2.72 115.31 114.14 1t6t h LEU 35 Ca 0.18 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1t6t h LEU 35 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1t6t h LEU 35 CO -0.05 0.65 0.16 -1.28 0.09 0.00 0.00 178.44 178.01 1t6t h SER 36 N 0.52 0.23 0.50 -0.43 0.87 -0.77 -0.76 113.55 113.69 1t6t h SER 36 Ca 0.10 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1t6t h SER 36 Cb 0.44 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1t6t h SER 36 CO 0.02 0.16 -0.04 0.11 -0.53 0.00 0.00 176.83 176.56 1t6t h LYS 37 N 0.27 0.00 -0.66 2.24 1.57 -1.26 -0.40 116.57 118.32 1t6t h LYS 37 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1t6t h LYS 37 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1t6t h LYS 37 CO -0.02 0.04 0.00 1.19 -0.57 0.00 0.00 179.45 180.09 1t6t n PHE 38 N -3.25 1.51 -2.34 -1.35 3.72 -0.34 -4.92 117.46 110.49 1t6t n PHE 38 Ca -0.01 -0.61 -0.15 0.00 -0.05 0.00 0.00 57.45 56.62 1t6t n PHE 38 Cb 0.21 -0.25 -0.00 0.00 -0.94 0.00 0.00 39.48 38.50 1t6t n PHE 38 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1t6t n SER 39 N 1.17 -4.63 -4.28 4.37 7.64 -0.16 -4.98 113.62 112.75 1t6t n SER 39 Ca 0.26 -0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.70 1t6t n SER 39 Cb 0.90 -3.74 -0.10 0.00 -1.01 0.00 0.00 64.21 60.26 1t6t n SER 39 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1t6t s ILE 40 N -2.79 4.28 -0.03 0.44 1.01 -0.91 -4.94 121.20 118.27 1t6t s ILE 40 Ca 0.02 -1.37 0.12 0.00 0.00 0.00 0.00 60.65 59.42 1t6t s ILE 40 Cb -0.01 -3.61 -0.19 0.00 0.01 0.00 0.00 42.46 38.66 1t6t s ILE 40 CO 0.03 -0.50 0.25 0.29 0.00 0.00 0.00 174.94 175.00 1t6t n LYS 41 N 4.93 0.62 -1.85 2.79 4.76 -1.26 -3.11 118.16 125.04 1t6t n LYS 41 Ca -0.10 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.82 1t6t n LYS 41 Cb 0.43 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1t6t n LYS 41 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1t6t n ASN 42 N -2.01 3.96 -4.00 4.39 5.15 -1.26 -4.86 115.26 116.63 1t6t n ASN 42 Ca -0.05 -2.84 -0.18 0.00 -0.60 0.00 0.00 54.58 50.91 1t6t n ASN 42 Cb 0.41 -1.64 -0.15 0.00 -0.53 0.00 0.00 39.78 37.87 1t6t n ASN 42 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1t6t s VAL 43 N 3.64 0.64 -0.11 3.44 1.01 -1.26 -1.43 120.40 126.33 1t6t s VAL 43 Ca 0.49 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1t6t s VAL 43 Cb 0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1t6t s VAL 43 CO -0.04 0.19 -0.20 -0.63 0.00 0.00 0.00 175.10 174.42 1t6t s ILE 44 N -0.10 2.44 -0.15 2.22 1.01 0.28 -4.96 121.20 121.94 1t6t s ILE 44 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 1t6t s ILE 44 Cb -0.04 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1t6t s ILE 44 CO -0.00 0.55 0.29 1.51 0.00 0.00 0.00 174.94 177.28 1t6t s ASP 45 N 0.33 6.45 0.13 3.58 -4.77 -1.26 -1.30 116.67 119.83 1t6t s ASP 45 Ca -0.16 0.52 -0.04 0.00 -3.30 0.00 0.00 52.55 49.57 1t6t s ASP 45 Cb -0.17 -2.18 -0.10 0.00 -1.09 0.00 0.00 42.92 39.38 1t6t s ASP 45 CO 0.08 0.12 1.30 0.25 0.70 0.00 0.00 175.17 177.62 1t6t h LEU 46 N 6.53 0.53 -9.49 2.11 5.85 -0.65 -3.45 115.31 116.74 1t6t h LEU 46 Ca -0.42 -0.43 -0.58 0.00 0.84 0.00 0.00 57.88 57.29 1t6t h LEU 46 Cb 1.17 -0.16 0.05 0.00 0.37 0.00 0.00 40.66 42.09 1t6t h LEU 46 CO 0.74 1.23 0.88 -0.24 -0.34 0.00 0.00 178.44 180.71 1t6t n SER 47 N -3.75 3.29 0.00 1.25 2.88 -0.07 -1.18 113.62 116.04 1t6t n SER 47 Ca -0.07 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1t6t n SER 47 Cb 0.83 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1t6t n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t6t n GLY 48 N 3.65 0.69 3.26 0.46 0.00 -1.26 -4.94 105.19 107.05 1t6t n GLY 48 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1t6t n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t6t s LYS 49 N -0.73 1.06 0.40 1.61 1.02 -0.32 -5.13 119.74 117.65 1t6t s LYS 49 Ca 0.00 -1.17 -0.22 0.00 0.02 0.00 0.00 55.97 54.60 1t6t s LYS 49 Cb 0.00 -1.17 -0.11 0.00 -0.52 0.00 0.00 37.83 36.04 1t6t s LYS 49 CO 0.00 0.26 0.94 1.03 -0.92 0.00 0.00 175.35 176.65 1t6t s ARG 50 N -2.16 4.28 0.33 1.68 0.52 -1.26 -4.93 118.95 117.42 1t6t s ARG 50 Ca 0.06 1.13 0.05 0.00 -0.52 0.00 0.00 55.73 56.46 1t6t s ARG 50 Cb -0.08 -2.31 0.70 0.00 0.52 0.00 0.00 34.95 33.77 1t6t s ARG 50 CO 0.04 0.04 1.88 1.88 0.02 0.00 0.00 175.30 179.16 1t6t h TYR 51 N 2.17 0.92 0.00 -0.53 0.05 -2.00 0.21 116.97 117.80 1t6t h TYR 51 Ca -0.49 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 1t6t h TYR 51 Cb 1.18 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.63 1t6t h TYR 51 CO 0.62 0.39 -0.02 0.00 -1.05 0.00 0.00 178.16 178.10 1t6t h ALA 52 N 1.57 1.02 -0.29 3.88 0.00 -2.01 -2.45 119.26 120.98 1t6t h ALA 52 Ca 0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1t6t h ALA 52 Cb 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1t6t h ALA 52 CO -0.20 0.03 -0.14 -0.44 0.00 0.00 0.00 179.25 178.50 1t6t h ASP 53 N 0.00 0.48 -0.46 0.00 3.32 -0.93 -1.25 116.42 117.59 1t6t h ASP 53 Ca -0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1t6t h ASP 53 Cb 0.43 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1t6t h ASP 53 CO 0.00 0.65 -0.08 0.58 -1.72 0.00 0.00 179.24 178.67 1t6t h VAL 54 N 0.45 1.27 -0.10 -1.35 2.07 -1.44 -3.03 116.25 114.12 1t6t h VAL 54 Ca 0.08 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1t6t h VAL 54 Cb 0.52 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1t6t h VAL 54 CO 0.03 0.41 0.06 0.58 0.02 0.00 0.00 177.57 178.67 1t6t h VAL 55 N 0.70 1.05 0.00 2.57 2.07 -1.46 -2.22 116.25 118.96 1t6t h VAL 55 Ca 0.12 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1t6t h VAL 55 Cb 0.61 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1t6t h VAL 55 CO 0.04 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.15 1t6t n ASP 56 N -5.00 0.36 0.00 0.57 8.00 -0.51 -1.01 116.55 118.96 1t6t n ASP 56 Ca -0.05 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1t6t n ASP 56 Cb 0.05 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1t6t n ASP 56 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t6t n LEU 58 N 1.14 0.00 -4.66 0.64 4.77 -0.84 -4.96 117.00 113.09 1t6t n LEU 58 Ca 0.00 0.00 -0.56 0.00 -0.03 0.00 0.00 56.01 55.42 1t6t n LEU 58 Cb 0.05 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1t6t n LEU 58 CO 0.00 0.00 1.13 1.21 -1.33 0.00 0.00 177.39 178.40 1t6t n GLU 59 N 0.00 1.03 -0.61 3.23 2.13 -0.18 -0.74 120.64 125.51 1t6t n GLU 59 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1t6t n GLU 59 Cb 0.00 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1t6t n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1t6t n GLY 60 N 3.47 1.29 0.29 8.31 0.00 -1.26 -4.76 105.19 112.53 1t6t n GLY 60 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1t6t n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t6t n LYS 61 N -2.00 0.19 -4.54 1.61 5.02 0.08 -5.05 118.16 113.47 1t6t n LYS 61 Ca 0.00 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 1t6t n LYS 61 Cb 0.00 -1.03 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1t6t n LYS 61 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1t6t s TRP 62 N -2.16 1.22 -0.09 2.13 0.52 -0.47 -5.03 118.94 115.05 1t6t s TRP 62 Ca -0.11 -0.26 0.17 0.00 0.02 0.00 0.00 56.10 55.92 1t6t s TRP 62 Cb 0.03 -0.77 -0.25 0.00 -1.15 0.00 0.00 33.47 31.33 1t6t s TRP 62 CO 0.17 -0.00 0.25 0.39 0.02 0.00 0.00 176.95 177.77 1t6t n GLU 63 N 2.51 0.85 -4.75 4.98 1.02 -1.26 -4.68 120.64 119.32 1t6t n GLU 63 Ca -0.15 -0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 56.60 1t6t n GLU 63 Cb 0.55 -1.44 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 1t6t n GLU 63 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1t6t s LYS 64 N -2.89 1.63 -0.03 3.49 2.20 -1.26 -0.47 119.74 122.41 1t6t s LYS 64 Ca -0.08 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 54.44 1t6t s LYS 64 Cb 0.09 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1t6t s LYS 64 CO 0.74 0.47 -0.10 0.08 -0.36 0.00 0.00 175.35 176.19 1t6t s VAL 65 N -0.86 0.83 -0.29 4.02 1.01 0.00 -2.33 120.40 122.78 1t6t s VAL 65 Ca 0.11 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1t6t s VAL 65 Cb -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1t6t s VAL 65 CO 0.03 0.26 0.18 -0.63 0.00 0.00 0.00 175.10 174.94 1t6t s ILE 66 N 0.19 5.19 -0.20 2.22 1.01 0.98 -0.25 121.20 130.35 1t6t s ILE 66 Ca -0.03 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 1t6t s ILE 66 Cb -0.09 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1t6t s ILE 66 CO 0.01 0.22 0.70 -0.76 0.00 0.00 0.00 174.94 175.10 1t6t s LEU 67 N 1.74 4.14 -0.44 2.97 1.43 -0.51 -0.74 118.68 127.27 1t6t s LEU 67 Ca 0.07 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.20 1t6t s LEU 67 Cb -0.16 -3.00 0.37 0.00 0.03 0.00 0.00 46.19 43.42 1t6t s LEU 67 CO 0.10 -0.33 0.86 0.18 0.23 0.00 0.00 176.35 177.39 1t6t n LEU 68 N 5.22 2.40 -4.88 1.79 4.77 -0.17 -4.20 117.00 121.92 1t6t n LEU 68 Ca 0.01 -5.09 -0.30 0.00 -0.03 0.00 0.00 56.01 50.59 1t6t n LEU 68 Cb 0.49 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1t6t n LEU 68 CO 0.45 2.22 0.30 -0.36 -1.33 0.00 0.00 177.39 178.67 1t6t s PHE 69 N -2.94 3.45 0.93 -1.77 0.08 -1.26 -4.54 117.98 111.93 1t6t s PHE 69 Ca 0.42 0.88 -0.11 0.00 0.12 0.00 0.00 56.93 58.23 1t6t s PHE 69 Cb 0.34 -2.29 0.11 0.00 -0.57 0.00 0.00 43.02 40.62 1t6t s PHE 69 CO -0.09 0.11 0.87 -0.25 -0.10 0.00 0.00 175.22 175.75 1t6t n ASP 70 N -0.78 -0.58 -0.32 1.36 8.00 -1.26 -4.90 116.55 118.07 1t6t n ASP 70 Ca 0.01 0.39 0.15 0.00 0.71 0.00 0.00 54.79 56.04 1t6t n ASP 70 Cb 0.53 -1.38 0.65 0.00 -0.02 0.00 0.00 41.12 40.91 1t6t n ASP 70 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t6t n LEU 71 N -3.14 1.01 -4.63 0.64 4.77 0.15 -3.51 117.00 112.29 1t6t n LEU 71 Ca 0.10 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.45 1t6t n LEU 71 Cb 0.53 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.85 1t6t n LEU 71 CO 0.50 0.17 0.66 1.51 -1.33 0.00 0.00 177.39 178.89 1t6t s ASP 72 N -2.03 0.94 0.18 -1.43 1.47 -1.26 -4.64 116.67 109.88 1t6t s ASP 72 Ca 0.40 0.49 -0.13 0.00 1.18 0.00 0.00 52.55 54.49 1t6t s ASP 72 Cb 0.21 -0.63 0.08 0.00 -0.34 0.00 0.00 42.92 42.24 1t6t s ASP 72 CO 0.36 -4.10 1.81 0.74 0.68 0.00 0.00 175.17 174.66 1t6t h THR 73 N -2.57 1.17 -0.38 2.11 2.02 -1.99 -0.51 112.91 112.75 1t6t h THR 73 Ca -0.43 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1t6t h THR 73 Cb 1.28 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1t6t h THR 73 CO 0.30 0.17 0.20 -0.74 0.37 0.00 0.00 175.52 175.82 1t6t h HIS 74 N 0.76 0.37 -0.63 3.16 -0.00 -1.92 -2.17 115.15 114.72 1t6t h HIS 74 Ca 0.20 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.52 1t6t h HIS 74 Cb -0.02 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1t6t h HIS 74 CO -0.02 0.20 0.13 0.78 -0.00 0.00 0.00 177.93 179.02 1t6t h GLY 75 N 0.41 1.10 1.23 5.26 0.00 -1.62 -2.64 103.07 106.80 1t6t h GLY 75 Ca 0.16 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1t6t h GLY 75 CO -0.10 0.66 0.12 -2.09 0.00 0.00 0.00 176.54 175.13 1t6t h GLU 76 N 0.93 0.95 -0.45 4.80 4.57 -0.90 0.66 114.58 125.14 1t6t h GLU 76 Ca 0.19 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1t6t h GLU 76 Cb 0.39 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1t6t h GLU 76 CO 0.01 0.86 0.05 0.00 -1.18 0.00 0.00 179.01 178.74 1t6t h ARG 77 N 0.90 0.77 -0.39 1.92 3.08 -1.29 -1.25 114.38 118.13 1t6t h ARG 77 Ca 0.19 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1t6t h ARG 77 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1t6t h ARG 77 CO 0.00 0.81 -0.26 0.82 -1.07 0.00 0.00 179.97 180.27 1t6t h ILE 78 N 0.63 1.27 -0.29 2.04 2.04 -1.22 -1.89 117.51 120.09 1t6t h ILE 78 Ca 0.13 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1t6t h ILE 78 Cb 0.43 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1t6t h ILE 78 CO 0.01 0.47 0.16 -1.13 0.00 0.00 0.00 178.15 177.66 1t6t h ASN 79 N 0.69 0.24 -0.68 1.72 -0.73 -0.63 -2.63 115.58 113.56 1t6t h ASN 79 Ca 0.09 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.19 1t6t h ASN 79 Cb 0.79 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.31 1t6t h ASN 79 CO 0.07 0.18 0.16 1.56 -0.37 0.00 0.00 177.43 179.03 1t6t h GLN 80 N 0.33 1.10 -0.12 6.67 1.08 -1.09 -0.14 115.11 122.94 1t6t h GLN 80 Ca 0.12 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1t6t h GLN 80 Cb 0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1t6t h GLN 80 CO -0.07 0.98 0.00 1.17 -0.95 0.00 0.00 178.83 179.96 1t6t n LYS 81 N -4.23 0.17 0.00 1.46 3.00 -0.72 -1.61 118.16 116.22 1t6t n LYS 81 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1t6t n LYS 81 Cb 0.26 -1.06 0.00 0.00 0.00 0.00 0.00 35.03 34.23 1t6t n LYS 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1t6t n LYS 83 N 0.15 0.00 -0.15 1.64 4.81 -0.06 -1.21 118.16 123.34 1t6t n LYS 83 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1t6t n LYS 83 Cb 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.08 1t6t n LYS 83 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1t6t h GLU 84 N 0.00 0.64 0.12 1.64 4.57 -1.55 -1.63 114.58 118.36 1t6t h GLU 84 Ca 0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1t6t h GLU 84 Cb 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1t6t h GLU 84 CO 0.00 0.59 -0.06 1.25 -1.18 0.00 0.00 179.01 179.62 1t6t h LEU 85 N 0.55 -0.14 -0.87 1.64 5.85 -1.42 -1.76 115.31 119.17 1t6t h LEU 85 Ca 0.14 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1t6t h LEU 85 Cb 0.19 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1t6t h LEU 85 CO -0.01 0.17 0.46 -0.07 -0.34 0.00 0.00 178.44 178.65 1t6t h LEU 86 N -0.45 1.09 -0.71 2.25 3.38 -1.81 -1.97 115.31 117.10 1t6t h LEU 86 Ca -0.02 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1t6t h LEU 86 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1t6t h LEU 86 CO 0.03 0.89 -0.20 0.77 0.09 0.00 0.00 178.44 180.02 1t6t h SER 87 N 1.22 0.79 0.33 -0.43 4.64 -1.31 -1.26 113.55 117.51 1t6t h SER 87 Ca 0.30 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1t6t h SER 87 Cb 0.05 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1t6t h SER 87 CO -0.05 0.97 -0.12 0.77 -0.87 0.00 0.00 176.83 177.54 1t6t h SER 88 N 0.69 0.00 -0.21 4.97 4.64 -0.74 -2.01 113.55 120.88 1t6t h SER 88 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1t6t h SER 88 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1t6t h SER 88 CO 0.05 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 1t6t n GLN 89 N -3.73 2.00 -0.18 4.77 1.13 -0.79 -4.94 117.38 115.63 1t6t n GLN 89 Ca -0.02 -1.50 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 1t6t n GLN 89 Cb 0.23 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1t6t n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t6t n GLY 90 N 1.26 0.76 3.87 1.08 0.00 -0.76 -5.08 105.19 106.32 1t6t n GLY 90 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1t6t n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t6t s PHE 91 N -2.17 3.42 -0.08 1.61 0.08 -0.52 -5.01 117.98 115.31 1t6t s PHE 91 Ca 0.00 1.06 -0.21 0.00 0.12 0.00 0.00 56.93 57.90 1t6t s PHE 91 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1t6t s PHE 91 CO 0.00 0.06 0.58 -0.51 -0.10 0.00 0.00 175.22 175.26 1t6t s LEU 92 N -3.28 4.31 -0.18 -0.37 1.43 0.38 -4.21 118.68 116.77 1t6t s LEU 92 Ca 0.51 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 1t6t s LEU 92 Cb -0.10 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1t6t s LEU 92 CO 0.23 -0.03 -0.02 -0.69 0.23 0.00 0.00 176.35 176.07 1t6t s VAL 93 N 0.56 3.90 -0.25 -1.59 1.01 -1.26 -0.81 120.40 121.96 1t6t s VAL 93 Ca 0.31 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1t6t s VAL 93 Cb -0.17 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1t6t s VAL 93 CO 0.15 0.46 0.07 -0.62 0.00 0.00 0.00 175.10 175.16 1t6t s ASP 94 N 0.65 5.12 0.00 3.32 -1.08 0.66 -4.94 116.67 120.41 1t6t s ASP 94 Ca -0.01 -0.23 0.07 0.00 -0.52 0.00 0.00 52.55 51.85 1t6t s ASP 94 Cb -0.14 -1.92 0.08 0.00 -1.46 0.00 0.00 42.92 39.47 1t6t s ASP 94 CO 0.02 -0.04 0.79 -0.62 0.52 0.00 0.00 175.17 175.84 1t6t n GLU 95 N 4.92 0.44 -0.23 4.34 1.02 -1.26 -1.43 120.64 128.44 1t6t n GLU 95 Ca -0.16 -1.06 -0.03 0.00 -0.02 0.00 0.00 57.16 55.88 1t6t n GLU 95 Cb 0.51 -1.14 0.08 0.00 -0.02 0.00 0.00 31.44 30.87 1t6t n GLU 95 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1t6t h ASN 96 N 1.34 0.63 -0.31 1.62 2.35 -1.91 -0.08 115.58 119.21 1t6t h ASN 96 Ca 0.00 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1t6t h ASN 96 Cb 0.35 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1t6t h ASN 96 CO 0.00 0.43 0.07 -0.26 -1.65 0.00 0.00 177.43 176.02 1t6t h PHE 97 N 0.76 0.52 -0.74 1.19 0.04 -1.89 -2.33 116.94 114.49 1t6t h PHE 97 Ca 0.27 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1t6t h PHE 97 Cb 0.07 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 1t6t h PHE 97 CO -0.06 0.56 0.42 -0.09 -0.60 0.00 0.00 178.31 178.54 1t6t h ARG 98 N 0.34 1.02 0.00 1.51 2.43 -1.67 -2.28 114.38 115.72 1t6t h ARG 98 Ca 0.10 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1t6t h ARG 98 Cb 0.30 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1t6t h ARG 98 CO 0.00 0.74 -0.12 -0.91 -1.51 0.00 0.00 179.97 178.17 1t6t h ASN 99 N 1.01 0.00 0.32 -3.80 2.35 -0.82 -0.98 115.58 113.67 1t6t h ASN 99 Ca 0.26 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.88 1t6t h ASN 99 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1t6t h ASN 99 CO -0.04 0.12 -0.55 -0.26 -1.65 0.00 0.00 177.43 175.05 1t6t h PHE 100 N 0.00 0.31 -0.32 1.19 -1.00 -0.86 -2.47 116.94 113.79 1t6t h PHE 100 Ca -0.00 -0.11 -0.14 0.00 2.81 0.00 0.00 57.97 60.53 1t6t h PHE 100 Cb 0.26 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1t6t h PHE 100 CO 0.00 0.74 -0.36 -0.07 -1.61 0.00 0.00 178.31 177.01 1t6t h LEU 101 N 0.19 0.78 -0.53 1.54 3.38 -1.02 -2.34 115.31 117.32 1t6t h LEU 101 Ca 0.00 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1t6t h LEU 101 Cb 1.03 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1t6t h LEU 101 CO 0.09 1.06 0.24 0.11 0.09 0.00 0.00 178.44 180.03 1t6t h LYS 102 N 0.62 0.44 -0.89 1.13 1.57 -1.08 -0.11 116.57 118.24 1t6t h LYS 102 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1t6t h LYS 102 Cb 0.90 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1t6t h LYS 102 CO 0.08 0.29 0.56 -0.22 -0.57 0.00 0.00 179.45 179.59 1t6t h LYS 103 N 0.45 1.19 -0.42 3.15 3.64 -1.14 -2.16 116.57 121.28 1t6t h LYS 103 Ca 0.24 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1t6t h LYS 103 Cb 0.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1t6t h LYS 103 CO -0.21 0.81 0.00 0.91 -2.27 0.00 0.00 179.45 178.69 1t6t n TRP 104 N -4.38 0.56 -3.53 1.91 8.01 -0.76 -4.93 117.44 114.30 1t6t n TRP 104 Ca 0.10 -0.28 -0.25 0.00 -1.31 0.00 0.00 57.50 55.77 1t6t n TRP 104 Cb 0.04 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.40 1t6t n TRP 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1t6t n ASN 105 N 0.80 -6.06 -4.33 -0.99 3.02 -0.21 -4.94 115.26 102.56 1t6t n ASN 105 Ca 0.15 -0.53 -0.46 0.00 -0.03 0.00 0.00 54.58 53.72 1t6t n ASN 105 Cb 0.39 -4.80 -0.04 0.00 -0.61 0.00 0.00 39.78 34.71 1t6t n ASN 105 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1t6t s ILE 106 N -3.28 5.20 0.10 2.41 1.01 -0.33 -4.93 121.20 121.39 1t6t s ILE 106 Ca 0.54 -1.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 1t6t s ILE 106 Cb -0.25 -4.40 -0.13 0.00 0.01 0.00 0.00 42.46 37.69 1t6t s ILE 106 CO 0.67 -0.96 1.34 0.40 0.00 0.00 0.00 174.94 176.39 1t6t h ILE 107 N 5.69 1.29 -3.81 2.92 2.04 -1.92 -3.42 117.51 120.29 1t6t h ILE 107 Ca -0.21 -1.82 -0.68 0.00 1.00 0.00 0.00 64.86 63.15 1t6t h ILE 107 Cb 1.08 1.84 -0.28 0.00 -0.74 0.00 0.00 36.82 38.72 1t6t h ILE 107 CO 1.00 0.58 -0.82 -1.00 0.00 0.00 0.00 178.15 177.91 1t6t s HIS 108 N -3.94 2.61 0.32 1.37 3.76 -1.26 -0.68 115.29 117.48 1t6t s HIS 108 Ca -0.11 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1t6t s HIS 108 Cb 0.09 -1.68 0.54 0.00 1.11 0.00 0.00 32.58 32.64 1t6t s HIS 108 CO 0.88 -0.12 1.96 0.82 -0.85 0.00 0.00 174.74 177.44 1t6t h ILE 109 N 4.99 1.19 0.00 0.60 1.08 -1.91 -0.59 117.51 122.87 1t6t h ILE 109 Ca -0.34 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1t6t h ILE 109 Cb 1.18 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1t6t h ILE 109 CO 0.50 0.20 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.83 1t6t h GLU 110 N 0.92 0.00 0.00 2.37 5.08 -1.89 -0.38 114.58 120.67 1t6t h GLU 110 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1t6t h GLU 110 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1t6t h GLU 110 CO -0.04 0.00 -0.15 0.93 -1.00 0.00 0.00 179.01 178.74 1t6t h GLU 111 N 0.00 0.00 -0.00 2.33 5.08 -1.52 -3.50 114.58 116.97 1t6t h GLU 111 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t6t h GLU 111 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1t6t h GLU 111 CO 0.00 0.15 0.00 -0.89 -1.00 0.00 0.00 179.01 177.27