#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c46 s LYS 1 N 0.00 2.26 -0.11 1.61 -2.85 -1.26 -4.85 119.74 114.53 1c46 s LYS 1 Ca 0.00 -1.83 -0.02 0.00 -1.00 0.00 0.00 55.97 53.12 1c46 s LYS 1 Cb 0.00 -2.02 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 1c46 s LYS 1 CO 0.00 -0.15 -0.04 0.08 0.10 0.00 0.00 175.35 175.34 1c46 s VAL 2 N -2.60 3.90 0.35 1.79 1.01 -1.26 -2.17 120.40 121.42 1c46 s VAL 2 Ca 0.41 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1c46 s VAL 2 Cb 0.03 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 1c46 s VAL 2 CO 0.23 0.55 0.74 -0.36 0.00 0.00 0.00 175.10 176.26 1c46 s PHE 3 N -0.30 3.42 0.02 5.22 0.08 -0.28 -4.98 117.98 121.17 1c46 s PHE 3 Ca 0.05 1.10 -0.06 0.00 0.12 0.00 0.00 56.93 58.15 1c46 s PHE 3 Cb -0.12 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 1c46 s PHE 3 CO 0.02 0.02 0.27 -1.21 -0.10 0.00 0.00 175.22 174.22 1c46 s GLU 4 N -3.38 3.57 0.09 0.44 2.02 -1.26 -4.80 118.70 115.39 1c46 s GLU 4 Ca 0.52 -0.10 -0.18 0.00 0.02 0.00 0.00 54.97 55.23 1c46 s GLU 4 Cb -0.10 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1c46 s GLU 4 CO 0.24 0.63 1.22 -2.13 0.02 0.00 0.00 175.26 175.24 1c46 n ARG 5 N 0.96 -0.26 0.25 1.61 0.63 -1.26 0.53 116.66 119.12 1c46 n ARG 5 Ca -0.10 1.21 0.16 0.00 -0.92 0.00 0.00 57.85 58.19 1c46 n ARG 5 Cb 0.53 -1.78 0.57 0.00 0.45 0.00 0.00 32.46 32.22 1c46 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1c46 h GLU 7 N 0.00 0.93 -0.00 0.00 4.81 -0.30 -2.83 114.58 117.19 1c46 h GLU 7 Ca 0.00 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.79 1c46 h GLU 7 Cb 0.60 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1c46 h GLU 7 CO 0.00 0.84 -0.97 1.25 -0.73 0.00 0.00 179.01 179.40 1c46 h LEU 8 N 0.85 0.65 -1.09 1.64 5.85 -0.09 -3.05 115.31 120.08 1c46 h LEU 8 Ca 0.19 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1c46 h LEU 8 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1c46 h LEU 8 CO -0.00 1.32 0.36 0.00 -0.34 0.00 0.00 178.44 179.77 1c46 h ALA 9 N 0.64 1.29 -0.38 1.25 0.00 -1.23 0.14 119.26 120.97 1c46 h ALA 9 Ca -0.09 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1c46 h ALA 9 Cb 1.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1c46 h ALA 9 CO 0.17 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.90 1c46 h ARG 10 N 1.00 0.73 -0.23 0.00 3.08 -1.56 -0.95 114.38 116.43 1c46 h ARG 10 Ca 0.25 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1c46 h ARG 10 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1c46 h ARG 10 CO -0.03 0.86 0.04 1.15 -1.07 0.00 0.00 179.97 180.92 1c46 h THR 11 N 0.53 1.22 -0.60 2.04 2.02 -1.31 -0.56 112.91 116.25 1c46 h THR 11 Ca 0.10 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 1c46 h THR 11 Cb 0.59 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1c46 h THR 11 CO 0.03 0.23 0.06 -0.07 0.37 0.00 0.00 175.52 176.14 1c46 h LEU 12 N 0.19 0.99 -0.02 2.58 3.38 -0.74 -1.28 115.31 120.41 1c46 h LEU 12 Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1c46 h LEU 12 Cb 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1c46 h LEU 12 CO 0.00 1.03 0.01 0.50 0.09 0.00 0.00 178.44 180.07 1c46 h LYS 13 N 0.92 0.03 -1.00 1.13 1.63 -1.17 0.93 116.57 119.06 1c46 h LYS 13 Ca 0.18 -0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.13 1c46 h LYS 13 Cb 0.48 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.02 1c46 h LYS 13 CO 0.02 0.06 0.62 -0.09 -3.45 0.00 0.00 179.45 176.61 1c46 h ARG 14 N -0.00 0.85 -0.44 1.90 2.43 -0.89 0.19 114.38 118.42 1c46 h ARG 14 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1c46 h ARG 14 Cb 0.03 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1c46 h ARG 14 CO -0.00 0.56 0.00 1.28 -1.51 0.00 0.00 179.97 180.30 1c46 n LEU 15 N -4.67 1.97 -1.65 3.80 4.77 -0.50 -4.92 117.00 115.80 1c46 n LEU 15 Ca 0.21 -0.99 -0.11 0.00 -0.03 0.00 0.00 56.01 55.09 1c46 n LEU 15 Cb 0.45 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1c46 n LEU 15 CO 0.25 0.40 0.02 0.61 -1.33 0.00 0.00 177.39 177.35 1c46 n GLY 16 N 0.79 0.13 0.08 -0.72 0.00 0.06 -4.95 105.19 100.58 1c46 n GLY 16 Ca 0.10 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1c46 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1c46 h MET 17 N -0.79 0.00 -6.16 1.61 2.86 -1.00 -3.40 114.93 108.06 1c46 h MET 17 Ca -0.26 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.86 1c46 h MET 17 Cb 1.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1c46 h MET 17 CO 0.27 0.00 1.24 0.34 1.06 0.00 0.00 176.91 179.83 1c46 s ASP 18 N -4.46 5.66 0.00 1.22 -1.08 -1.26 -2.82 116.67 113.93 1c46 s ASP 18 Ca 0.07 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1c46 s ASP 18 Cb 0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1c46 s ASP 18 CO 0.70 -2.08 0.00 0.61 0.52 0.00 0.00 175.17 174.91 1c46 n GLY 19 N 5.53 0.66 3.67 2.66 0.00 0.12 -4.90 105.19 112.93 1c46 n GLY 19 Ca 0.16 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1c46 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c46 s TYR 20 N -2.00 2.69 -1.34 1.61 5.04 -1.13 -1.64 117.35 120.58 1c46 s TYR 20 Ca 0.00 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1c46 s TYR 20 Cb 0.00 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1c46 s TYR 20 CO 0.00 -2.44 0.00 0.54 -1.34 0.00 0.00 175.55 172.31 1c46 n ARG 21 N 6.08 -1.92 0.00 4.97 5.12 -1.26 -1.27 116.66 128.38 1c46 n ARG 21 Ca 0.14 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 1c46 n ARG 21 Cb 0.44 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 1c46 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c46 n GLY 22 N -0.76 3.12 3.72 -0.13 0.00 -0.65 -5.01 105.19 105.48 1c46 n GLY 22 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1c46 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c46 s ILE 23 N -1.74 3.17 0.42 -0.61 -1.09 -0.40 -4.63 121.20 116.31 1c46 s ILE 23 Ca 0.00 0.85 -0.13 0.00 -2.23 0.00 0.00 60.65 59.14 1c46 s ILE 23 Cb 0.00 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.27 1c46 s ILE 23 CO 0.00 0.07 0.82 -0.94 -1.23 0.00 0.00 174.94 173.66 1c46 s SER 24 N 1.05 6.59 0.36 3.58 1.04 -1.26 0.15 113.70 125.21 1c46 s SER 24 Ca 0.65 1.27 0.16 0.00 0.48 0.00 0.00 55.95 58.51 1c46 s SER 24 Cb -0.38 -2.38 1.08 0.00 0.10 0.00 0.00 66.02 64.45 1c46 s SER 24 CO 0.31 -0.41 1.70 0.25 0.98 0.00 0.00 173.24 176.07 1c46 h LEU 25 N 1.34 0.50 -1.25 2.42 5.85 -1.91 0.97 115.31 123.24 1c46 h LEU 25 Ca -0.47 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1c46 h LEU 25 Cb 1.18 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1c46 h LEU 25 CO 0.63 -0.02 -0.10 0.00 -0.34 0.00 0.00 178.44 178.61 1c46 h ALA 26 N 1.72 1.38 0.00 1.25 0.00 -1.92 0.07 119.26 121.77 1c46 h ALA 26 Ca 0.69 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 1c46 h ALA 26 Cb 1.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1c46 h ALA 26 CO -0.46 0.42 -0.83 -0.91 0.00 0.00 0.00 179.25 177.47 1c46 h ASN 27 N 0.36 0.00 -0.36 0.00 2.35 -1.12 -0.10 115.58 116.72 1c46 h ASN 27 Ca 0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1c46 h ASN 27 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1c46 h ASN 27 CO 0.02 0.78 -0.41 -0.50 -1.65 0.00 0.00 177.43 175.67 1c46 h TRP 28 N 0.00 1.11 -0.39 1.19 -0.00 -1.03 -1.23 115.95 115.60 1c46 h TRP 28 Ca -0.02 -0.35 -0.10 0.00 -0.00 0.00 0.00 58.89 58.42 1c46 h TRP 28 Cb 1.62 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 30.53 1c46 h TRP 28 CO 0.00 1.18 -0.18 0.52 -0.00 0.00 0.00 178.44 179.96 1c46 h MET 29 N 0.73 0.73 -0.39 0.49 2.86 -0.88 0.13 114.93 118.60 1c46 h MET 29 Ca 0.05 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 1c46 h MET 29 Cb 1.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1c46 h MET 29 CO 0.10 0.86 -0.27 0.00 1.06 0.00 0.00 176.91 178.66 1c46 h LEU 31 N 0.68 -0.81 0.00 0.00 5.85 -0.83 -2.51 115.31 117.69 1c46 h LEU 31 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1c46 h LEU 31 Cb 0.84 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1c46 h LEU 31 CO 0.07 -0.51 0.00 0.00 -0.34 0.00 0.00 178.44 177.67 1c46 n ALA 32 N -2.54 1.25 -0.09 1.25 0.00 0.43 -2.01 120.51 118.79 1c46 n ALA 32 Ca -0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1c46 n ALA 32 Cb 0.35 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1c46 n ALA 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c46 n LYS 33 N -1.42 0.52 0.00 0.00 4.81 -1.04 -2.09 118.16 118.95 1c46 n LYS 33 Ca 0.01 0.31 0.03 0.00 -0.87 0.00 0.00 58.31 57.80 1c46 n LYS 33 Cb 0.04 -1.52 0.21 0.00 0.02 0.00 0.00 35.03 33.78 1c46 n LYS 33 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1c46 n TRP 34 N -4.46 0.00 -0.01 5.64 7.02 -0.97 -0.04 117.44 124.62 1c46 n TRP 34 Ca -0.20 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1c46 n TRP 34 Cb 0.53 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.41 1c46 n TRP 34 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1c46 n GLU 35 N -0.75 2.41 0.00 -0.99 -0.58 -0.85 -4.87 120.64 115.01 1c46 n GLU 35 Ca 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1c46 n GLU 35 Cb 0.02 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1c46 n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1c46 n SER 36 N -1.92 0.00 -1.53 1.62 3.41 -0.85 -4.81 113.62 109.55 1c46 n SER 36 Ca -0.03 -0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.18 1c46 n SER 36 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1c46 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c46 n GLY 37 N 0.00 -0.17 2.60 5.00 0.00 0.94 -1.32 105.19 112.24 1c46 n GLY 37 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1c46 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c46 n TYR 38 N -4.01 0.00 -2.69 1.61 0.53 -0.89 -4.65 117.16 107.05 1c46 n TYR 38 Ca -0.15 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.30 1c46 n TYR 38 Cb 0.62 -1.86 -0.03 0.00 -1.03 0.00 0.00 39.34 37.04 1c46 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1c46 s ASN 39 N -2.31 6.59 0.44 7.72 3.84 -0.43 -1.12 114.94 129.66 1c46 s ASN 39 Ca 0.00 0.36 0.16 0.00 0.21 0.00 0.00 52.86 53.59 1c46 s ASN 39 Cb 0.00 -2.51 0.99 0.00 -0.55 0.00 0.00 41.25 39.18 1c46 s ASN 39 CO 0.00 -1.16 1.96 0.71 -2.79 0.00 0.00 177.10 175.82 1c46 h THR 40 N 6.15 1.08 -0.09 -5.21 1.35 -1.76 -2.42 112.91 112.02 1c46 h THR 40 Ca -0.23 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1c46 h THR 40 Cb 1.07 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1c46 h THR 40 CO 1.08 0.22 0.00 -2.11 -0.25 0.00 0.00 175.52 174.47 1c46 n ARG 41 N -4.15 1.54 -1.63 4.72 1.85 -1.26 -3.39 116.66 114.34 1c46 n ARG 41 Ca -0.02 -0.80 -0.41 0.00 -1.00 0.00 0.00 57.85 55.61 1c46 n ARG 41 Cb 0.29 -1.40 0.01 0.00 -1.05 0.00 0.00 32.46 30.31 1c46 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c46 n ALA 42 N 0.01 0.42 -3.16 2.89 0.00 -0.91 -4.73 120.51 115.04 1c46 n ALA 42 Ca 0.17 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 1c46 n ALA 42 Cb 0.27 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 1c46 n ALA 42 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1c46 s THR 43 N -1.25 0.04 -0.10 0.00 -1.32 -1.26 -1.22 115.64 110.53 1c46 s THR 43 Ca 0.63 -0.33 -0.04 0.00 -1.21 0.00 0.00 61.69 60.73 1c46 s THR 43 Cb -0.55 -0.45 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1c46 s THR 43 CO 0.57 -0.18 0.20 0.21 -2.21 0.00 0.00 174.62 173.21 1c46 s ASN 44 N -0.71 0.39 0.09 8.08 2.47 -0.71 -4.96 114.94 119.58 1c46 s ASN 44 Ca -0.08 0.44 -0.16 0.00 0.42 0.00 0.00 52.86 53.48 1c46 s ASN 44 Cb -0.04 0.43 -0.07 0.00 -1.45 0.00 0.00 41.25 40.12 1c46 s ASN 44 CO 0.02 -0.22 0.53 -0.47 -3.72 0.00 0.00 177.10 173.23 1c46 s TYR 45 N 2.09 3.71 -0.72 0.43 6.14 -1.26 -0.28 117.35 127.47 1c46 s TYR 45 Ca -0.00 1.13 0.03 0.00 0.64 0.00 0.00 57.07 58.87 1c46 s TYR 45 Cb -0.12 -2.40 0.17 0.00 0.42 0.00 0.00 41.96 40.04 1c46 s TYR 45 CO -0.07 0.54 0.52 -0.80 0.64 0.00 0.00 175.55 176.38 1c46 s ASN 46 N -1.34 4.99 0.63 4.32 0.01 0.11 -4.95 114.94 118.71 1c46 s ASN 46 Ca 0.31 -3.72 0.19 0.00 -0.71 0.00 0.00 52.86 48.93 1c46 s ASN 46 Cb -0.17 -1.69 0.77 0.00 0.41 0.00 0.00 41.25 40.57 1c46 s ASN 46 CO 0.18 -0.12 1.34 0.00 -1.51 0.00 0.00 177.10 176.99 1c46 h ALA 47 N 5.67 2.42 -0.23 0.60 0.00 -1.93 0.63 119.26 126.42 1c46 h ALA 47 Ca 0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1c46 h ALA 47 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1c46 h ALA 47 CO 0.74 -1.25 -0.60 0.78 0.00 0.00 0.00 179.25 178.92 1c46 h GLY 48 N 0.00 0.82 0.00 0.00 0.00 -1.94 -3.35 103.07 98.61 1c46 h GLY 48 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1c46 h GLY 48 CO -0.00 0.90 0.00 2.09 0.00 0.00 0.00 176.54 179.53 1c46 n ASP 49 N -3.97 0.97 -0.96 0.19 5.75 -0.25 -4.99 116.55 113.28 1c46 n ASP 49 Ca -0.05 -1.23 -0.13 0.00 -0.01 0.00 0.00 54.79 53.38 1c46 n ASP 49 Cb 0.65 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.68 1c46 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1c46 n ARG 50 N -0.11 -1.02 -2.57 0.11 1.74 0.20 -4.29 116.66 110.72 1c46 n ARG 50 Ca 0.00 0.92 -0.24 0.00 -0.77 0.00 0.00 57.85 57.77 1c46 n ARG 50 Cb 0.14 -5.01 0.11 0.00 -1.02 0.00 0.00 32.46 26.68 1c46 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1c46 s SER 51 N -2.76 4.31 -0.14 0.55 1.04 -1.18 -4.55 113.70 110.98 1c46 s SER 51 Ca 0.00 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1c46 s SER 51 Cb 0.00 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1c46 s SER 51 CO 0.00 -1.89 0.36 -0.89 0.98 0.00 0.00 173.24 171.80 1c46 s THR 52 N -3.16 -0.01 -0.11 2.02 2.01 -1.26 0.10 115.64 115.23 1c46 s THR 52 Ca 0.66 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 1c46 s THR 52 Cb -0.05 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1c46 s THR 52 CO 0.45 0.01 0.51 -1.81 -0.69 0.00 0.00 174.62 173.09 1c46 s ASP 53 N 0.40 6.73 0.17 3.53 1.01 0.62 -1.86 116.67 127.27 1c46 s ASP 53 Ca -0.02 0.87 0.10 0.00 0.71 0.00 0.00 52.55 54.21 1c46 s ASP 53 Cb -0.04 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1c46 s ASP 53 CO -0.02 -0.02 -0.20 -0.31 0.21 0.00 0.00 175.17 174.83 1c46 s TYR 54 N 0.69 2.42 0.10 4.23 2.02 -0.22 -1.75 117.35 124.84 1c46 s TYR 54 Ca 0.28 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1c46 s TYR 54 Cb -0.15 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1c46 s TYR 54 CO 0.11 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.97 1c46 n GLY 55 N 0.36 -1.18 0.39 0.71 0.00 -0.36 -0.75 105.19 104.36 1c46 n GLY 55 Ca -0.13 -1.02 0.20 0.00 0.00 0.00 0.00 46.02 45.07 1c46 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c46 h ILE 56 N -0.39 0.56 -0.45 -0.61 2.10 -1.62 0.05 117.51 117.16 1c46 h ILE 56 Ca 0.01 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1c46 h ILE 56 Cb 0.38 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.15 1c46 h ILE 56 CO 0.00 0.09 0.00 0.49 -1.08 0.00 0.00 178.15 177.65 1c46 n PHE 57 N -4.68 1.01 -3.91 2.19 3.01 -1.26 -4.40 117.46 109.42 1c46 n PHE 57 Ca 0.25 -0.65 -0.33 0.00 1.01 0.00 0.00 57.45 57.73 1c46 n PHE 57 Cb 0.80 -0.20 0.01 0.00 -0.01 0.00 0.00 39.48 40.08 1c46 n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1c46 n GLN 58 N 0.47 -1.02 -2.41 -1.08 1.13 0.00 -4.89 117.38 109.58 1c46 n GLN 58 Ca 0.20 0.47 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1c46 n GLN 58 Cb 0.75 -2.26 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 1c46 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1c46 s ILE 59 N -3.19 4.17 0.15 5.09 -1.09 0.07 -4.42 121.20 121.97 1c46 s ILE 59 Ca 0.19 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.80 1c46 s ILE 59 Cb -0.10 -3.96 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1c46 s ILE 59 CO 0.92 -0.02 1.12 0.21 -1.23 0.00 0.00 174.94 175.94 1c46 s ASN 60 N 1.64 7.21 0.47 3.58 3.84 -1.26 -1.06 114.94 129.36 1c46 s ASN 60 Ca 0.57 2.07 0.27 0.00 0.21 0.00 0.00 52.86 55.98 1c46 s ASN 60 Cb -0.25 -2.60 1.03 0.00 -0.55 0.00 0.00 41.25 38.88 1c46 s ASN 60 CO 0.22 -0.29 1.86 0.77 -2.79 0.00 0.00 177.10 176.87 1c46 h SER 61 N 5.51 0.00 -0.19 -4.21 4.64 -1.58 -1.96 113.55 115.77 1c46 h SER 61 Ca -0.44 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 1c46 h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1c46 h SER 61 CO 0.74 0.16 -0.08 -0.09 -0.87 0.00 0.00 176.83 176.69 1c46 h ARG 62 N 0.00 0.53 0.00 4.77 9.65 -1.85 -3.39 114.38 124.08 1c46 h ARG 62 Ca -0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1c46 h ARG 62 Cb 0.69 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1c46 h ARG 62 CO 0.02 0.61 -0.54 0.66 2.80 0.00 0.00 179.97 183.52 1c46 n TYR 63 N -4.23 0.00 -0.07 2.20 4.02 -1.23 -0.40 117.16 117.45 1c46 n TYR 63 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1c46 n TYR 63 Cb 0.30 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1c46 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1c46 n TRP 64 N -0.87 0.24 -4.42 -0.72 7.02 -0.74 -1.74 117.44 116.22 1c46 n TRP 64 Ca 0.00 0.11 -0.25 0.00 -1.02 0.00 0.00 57.50 56.33 1c46 n TRP 64 Cb 0.00 -0.51 -0.10 0.00 -2.42 0.00 0.00 31.31 28.28 1c46 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c46 s ASN 66 N -3.13 6.21 0.00 0.00 2.47 -0.37 -4.42 114.94 115.70 1c46 s ASN 66 Ca 0.26 0.06 0.17 0.00 0.42 0.00 0.00 52.86 53.76 1c46 s ASN 66 Cb -0.07 -2.20 0.40 0.00 -1.45 0.00 0.00 41.25 37.94 1c46 s ASN 66 CO 0.13 -0.24 1.32 -0.90 -3.72 0.00 0.00 177.10 173.69 1c46 n ASP 67 N 5.35 3.23 -0.52 -4.21 5.75 -1.26 -2.08 116.55 122.80 1c46 n ASP 67 Ca -0.09 -1.94 -0.07 0.00 -0.01 0.00 0.00 54.79 52.68 1c46 n ASP 67 Cb 0.50 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 1c46 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c46 n GLY 68 N 1.06 0.86 0.04 6.12 0.00 -1.26 -4.80 105.19 107.20 1c46 n GLY 68 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1c46 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c46 n LYS 69 N -2.14 0.00 -3.70 1.61 0.00 -1.26 -5.10 118.16 107.57 1c46 n LYS 69 Ca -0.07 -0.28 -0.36 0.00 -0.00 0.00 0.00 58.31 57.60 1c46 n LYS 69 Cb 0.30 -0.26 -0.07 0.00 -0.00 0.00 0.00 35.03 35.00 1c46 n LYS 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1c46 s THR 70 N 0.00 5.39 0.29 0.58 2.01 -1.26 -4.93 115.64 117.72 1c46 s THR 70 Ca 0.00 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1c46 s THR 70 Cb 0.00 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 1c46 s THR 70 CO 0.00 0.47 1.37 -2.84 -0.69 0.00 0.00 174.62 172.93 1c46 s PRO 71 N 0.05 4.31 -1.35 4.92 0.02 -1.26 -3.02 135.00 138.66 1c46 s PRO 71 Ca 0.12 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 1c46 s PRO 71 Cb -0.12 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.39 1c46 s PRO 71 CO 0.01 -0.30 0.56 0.41 -0.33 0.00 0.00 177.00 177.35 1c46 n GLY 72 N 1.46 -0.48 3.73 0.52 0.00 -1.26 -4.87 105.19 104.28 1c46 n GLY 72 Ca 0.03 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1c46 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c46 s ALA 73 N -3.00 3.57 -0.11 4.61 0.00 -1.17 -4.91 121.76 120.75 1c46 s ALA 73 Ca 0.45 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.49 1c46 s ALA 73 Cb -0.23 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1c46 s ALA 73 CO 0.55 -0.59 0.08 0.08 0.00 0.00 0.00 175.76 175.88 1c46 s VAL 74 N 0.60 4.99 -0.88 0.00 1.01 0.46 -4.99 120.40 121.59 1c46 s VAL 74 Ca 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 1c46 s VAL 74 Cb -0.37 -3.15 0.26 0.00 0.00 0.00 0.00 36.38 33.12 1c46 s VAL 74 CO 0.35 0.61 1.01 -3.20 0.00 0.00 0.00 175.10 173.86 1c46 n ASN 75 N 2.11 4.82 0.00 3.32 5.15 -1.26 -3.52 115.26 125.88 1c46 n ASN 75 Ca -0.19 -3.33 0.00 0.00 -0.60 0.00 0.00 54.58 50.46 1c46 n ASN 75 Cb 0.54 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 1c46 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c46 n ALA 76 N 1.51 -0.21 0.00 5.20 0.00 -0.70 -1.50 120.51 124.81 1c46 n ALA 76 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1c46 n ALA 76 Cb 0.37 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1c46 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c46 n HIS 78 N -1.23 -1.73 -3.77 0.00 -0.00 -0.57 -4.99 115.22 102.95 1c46 n HIS 78 Ca 0.00 0.77 -0.11 0.00 0.46 0.00 0.00 57.72 58.84 1c46 n HIS 78 Cb 0.02 -3.93 -0.07 0.00 -0.12 0.00 0.00 29.99 25.89 1c46 n HIS 78 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1c46 s LEU 79 N -6.87 0.98 0.35 0.27 0.05 -1.26 -5.05 118.68 107.15 1c46 s LEU 79 Ca 0.01 -0.35 -0.27 0.00 0.05 0.00 0.00 54.13 53.57 1c46 s LEU 79 Cb -0.00 1.32 -0.09 0.00 -2.05 0.00 0.00 46.19 45.37 1c46 s LEU 79 CO 0.87 -0.68 1.20 -0.55 -0.55 0.00 0.00 176.35 176.63 1c46 s SER 80 N -2.41 6.76 0.56 1.48 0.15 -1.26 -1.24 113.70 117.75 1c46 s SER 80 Ca -0.01 2.45 0.36 0.00 0.70 0.00 0.00 55.95 59.45 1c46 s SER 80 Cb 0.01 -2.63 1.71 0.00 -1.71 0.00 0.00 66.02 63.40 1c46 s SER 80 CO -0.07 -0.52 2.09 0.00 1.20 0.00 0.00 173.24 175.94 1c46 h SER 82 N 0.00 0.72 -0.08 0.00 4.64 -1.91 -1.00 113.55 115.92 1c46 h SER 82 Ca 0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1c46 h SER 82 Cb 0.30 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1c46 h SER 82 CO 0.00 0.60 0.12 0.00 -0.87 0.00 0.00 176.83 176.68 1c46 h ALA 83 N 1.52 1.54 -0.22 5.18 0.00 -1.88 -0.60 119.26 124.80 1c46 h ALA 83 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1c46 h ALA 83 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1c46 h ALA 83 CO -0.03 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1c46 n LEU 84 N -3.60 2.64 -2.65 0.00 4.77 -0.38 -3.90 117.00 113.87 1c46 n LEU 84 Ca -0.01 -1.34 -0.15 0.00 -0.03 0.00 0.00 56.01 54.48 1c46 n LEU 84 Cb 0.22 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1c46 n LEU 84 CO 0.25 0.39 -0.03 0.18 -1.33 0.00 0.00 177.39 176.85 1c46 n LEU 85 N 0.24 2.43 -4.55 2.23 4.77 -0.23 -2.85 117.00 119.04 1c46 n LEU 85 Ca 0.10 -4.30 -0.26 0.00 -0.03 0.00 0.00 56.01 51.53 1c46 n LEU 85 Cb 0.57 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 1c46 n LEU 85 CO 0.12 1.83 -0.36 -1.10 -1.33 0.00 0.00 177.39 176.55 1c46 s GLN 86 N -3.20 1.83 0.20 3.23 -0.21 -1.25 -4.31 119.66 115.95 1c46 s GLN 86 Ca 0.35 -1.97 -0.04 0.00 0.02 0.00 0.00 55.36 53.72 1c46 s GLN 86 Cb 0.43 -1.63 0.16 0.00 1.00 0.00 0.00 33.01 32.96 1c46 s GLN 86 CO -0.04 0.08 1.58 -0.44 -2.12 0.00 0.00 175.29 174.35 1c46 h ASP 87 N 1.98 0.72 -3.37 5.90 5.19 -1.94 -3.39 116.42 121.51 1c46 h ASP 87 Ca -0.42 -0.31 -0.58 0.00 -0.62 0.00 0.00 57.03 55.10 1c46 h ASP 87 Cb 1.25 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.48 1c46 h ASP 87 CO 0.73 1.01 0.75 0.21 -3.12 0.00 0.00 179.24 178.82 1c46 s ASN 88 N -6.83 6.85 0.00 6.45 3.84 -1.26 -4.90 114.94 119.08 1c46 s ASN 88 Ca -0.09 0.91 0.24 0.00 0.21 0.00 0.00 52.86 54.13 1c46 s ASN 88 Cb 0.12 -2.51 1.00 0.00 -0.55 0.00 0.00 41.25 39.31 1c46 s ASN 88 CO 0.84 -0.85 1.70 2.30 -2.79 0.00 0.00 177.10 178.29 1c46 n ILE 89 N 5.87 0.10 -0.31 -5.21 -5.35 -1.26 -4.33 119.36 108.86 1c46 n ILE 89 Ca 0.10 -0.24 0.07 0.00 -0.27 0.00 0.00 62.75 62.42 1c46 n ILE 89 Cb 0.47 0.24 0.18 0.00 -1.74 0.00 0.00 39.64 38.79 1c46 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c46 h ALA 90 N 4.08 0.81 -0.67 -1.28 0.00 -1.95 0.33 119.26 120.57 1c46 h ALA 90 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1c46 h ALA 90 Cb 0.38 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1c46 h ALA 90 CO 0.00 -0.45 0.22 -0.44 0.00 0.00 0.00 179.25 178.58 1c46 h ASP 91 N 0.03 0.95 -0.09 0.00 3.45 -1.89 -2.31 116.42 116.56 1c46 h ASP 91 Ca 0.48 -0.16 -0.16 0.00 0.43 0.00 0.00 57.03 57.61 1c46 h ASP 91 Cb 0.84 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1c46 h ASP 91 CO -0.86 0.88 -0.52 0.00 -1.57 0.00 0.00 179.24 177.17 1c46 h ALA 92 N 1.25 0.64 -0.78 3.45 0.00 -0.75 -3.05 119.26 120.02 1c46 h ALA 92 Ca 0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1c46 h ALA 92 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1c46 h ALA 92 CO -0.01 0.68 0.35 0.28 0.00 0.00 0.00 179.25 180.55 1c46 h VAL 93 N 0.52 1.25 -0.52 0.00 2.07 -0.57 -1.11 116.25 117.89 1c46 h VAL 93 Ca 0.02 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1c46 h VAL 93 Cb 1.08 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1c46 h VAL 93 CO 0.11 0.31 -0.08 0.00 0.02 0.00 0.00 177.57 177.92 1c46 h ALA 94 N 1.26 0.88 -0.12 1.67 0.00 -1.40 0.18 119.26 121.73 1c46 h ALA 94 Ca 0.27 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1c46 h ALA 94 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c46 h ALA 94 CO -0.03 0.64 -0.67 0.00 0.00 0.00 0.00 179.25 179.19 1c46 h ALA 96 N 0.90 0.71 -0.49 0.00 0.00 -0.61 0.19 119.26 119.96 1c46 h ALA 96 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1c46 h ALA 96 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1c46 h ALA 96 CO 0.12 0.22 0.32 0.87 0.00 0.00 0.00 179.25 180.77 1c46 h LYS 97 N 0.74 0.66 -0.15 0.00 1.57 -0.58 -2.74 116.57 116.07 1c46 h LYS 97 Ca 0.20 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1c46 h LYS 97 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1c46 h LYS 97 CO -0.03 0.46 0.07 -0.09 -0.57 0.00 0.00 179.45 179.28 1c46 h ARG 98 N 0.67 0.15 -0.94 3.15 9.65 -0.72 -2.51 114.38 123.82 1c46 h ARG 98 Ca 0.18 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.22 1c46 h ARG 98 Cb -0.05 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.42 1c46 h ARG 98 CO -0.04 0.10 0.60 0.28 2.80 0.00 0.00 179.97 183.71 1c46 h VAL 99 N 0.15 0.78 -0.01 0.20 2.07 -0.37 0.11 116.25 119.18 1c46 h VAL 99 Ca 0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1c46 h VAL 99 Cb 0.02 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1c46 h VAL 99 CO -0.05 0.13 -0.14 1.33 0.02 0.00 0.00 177.57 178.86 1c46 n VAL 100 N -4.61 0.00 0.49 2.57 0.24 -0.99 -3.21 118.33 112.83 1c46 n VAL 100 Ca 0.19 -0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 1c46 n VAL 100 Cb 0.53 0.35 0.45 0.00 -1.47 0.00 0.00 33.84 33.69 1c46 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1c46 h ARG 101 N 1.51 0.00 -7.51 7.34 3.08 -0.36 -3.37 114.38 115.05 1c46 h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1c46 h ARG 101 Cb 0.47 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.61 1c46 h ARG 101 CO 0.00 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.77 1c46 s ASP 102 N -4.58 4.93 0.26 7.04 -0.00 -1.20 -4.97 116.67 118.15 1c46 s ASP 102 Ca 0.07 0.87 -0.02 0.00 -0.00 0.00 0.00 52.55 53.48 1c46 s ASP 102 Cb 0.10 -1.52 0.53 0.00 -0.00 0.00 0.00 42.92 42.04 1c46 s ASP 102 CO 0.51 -1.63 1.74 -0.65 -0.00 0.00 0.00 175.17 175.14 1c46 h PRO 103 N -0.83 0.51 0.00 8.23 0.11 -1.88 -2.47 132.00 135.67 1c46 h PRO 103 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1c46 h PRO 103 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1c46 h PRO 103 CO 0.64 0.34 -0.31 1.96 -0.21 0.00 0.00 178.00 180.42 1c46 h GLN 104 N 0.52 0.00 0.00 1.05 4.20 -1.90 -3.48 115.11 115.50 1c46 h GLN 104 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1c46 h GLN 104 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1c46 h GLN 104 CO -0.40 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.48 1c46 n GLY 105 N -0.47 2.19 0.34 3.46 0.00 -0.93 -2.01 105.19 107.77 1c46 n GLY 105 Ca -0.02 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 45.73 1c46 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c46 h ILE 106 N 0.00 0.38 0.00 -0.61 6.09 -1.87 -2.32 117.51 119.18 1c46 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1c46 h ILE 106 Cb 0.00 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.10 1c46 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1c46 n ARG 107 N -3.66 0.65 0.13 2.19 1.74 -0.85 -2.67 116.66 114.18 1c46 n ARG 107 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1c46 n ARG 107 Cb 0.34 -1.36 0.09 0.00 -1.02 0.00 0.00 32.46 30.51 1c46 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c46 h ALA 108 N 3.01 0.71 -1.98 7.54 0.00 -1.56 -3.42 119.26 123.56 1c46 h ALA 108 Ca 0.00 -0.57 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 1c46 h ALA 108 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1c46 h ALA 108 CO 0.00 0.78 0.66 -1.58 0.00 0.00 0.00 179.25 179.11 1c46 s TRP 109 N -3.15 3.03 0.35 0.00 0.51 -1.09 -4.93 118.94 113.66 1c46 s TRP 109 Ca 0.01 0.75 0.08 0.00 -2.12 0.00 0.00 56.10 54.83 1c46 s TRP 109 Cb 0.10 -3.79 0.80 0.00 -0.81 0.00 0.00 33.47 29.76 1c46 s TRP 109 CO 0.75 -0.91 1.87 0.28 -0.51 0.00 0.00 176.95 178.43 1c46 h VAL 110 N 5.90 0.84 0.00 4.03 2.07 -1.90 -1.73 116.25 125.46 1c46 h VAL 110 Ca -0.23 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1c46 h VAL 110 Cb 1.07 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1c46 h VAL 110 CO 1.01 0.13 -0.34 0.00 0.02 0.00 0.00 177.57 178.39 1c46 h ALA 111 N 1.59 1.29 -0.08 1.67 0.00 -1.91 -2.90 119.26 118.92 1c46 h ALA 111 Ca 0.45 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1c46 h ALA 111 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1c46 h ALA 111 CO -0.21 0.43 -0.15 2.35 0.00 0.00 0.00 179.25 181.66 1c46 h TRP 112 N 0.00 0.30 -0.03 0.00 7.01 -1.65 -1.49 115.95 120.08 1c46 h TRP 112 Ca -0.00 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1c46 h TRP 112 Cb 0.66 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1c46 h TRP 112 CO 0.00 0.75 0.04 0.00 -2.79 0.00 0.00 178.44 176.45 1c46 h ARG 113 N -0.24 0.00 0.06 2.65 3.08 -1.42 0.18 114.38 118.70 1c46 h ARG 113 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1c46 h ARG 113 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1c46 h ARG 113 CO 0.03 0.00 -2.14 0.09 -1.07 0.00 0.00 179.97 176.88 1c46 n ASN 114 N -3.74 1.76 -0.01 7.04 3.02 -1.11 -4.35 115.26 117.87 1c46 n ASN 114 Ca -0.02 0.11 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 1c46 n ASN 114 Cb 0.13 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 1c46 n ASN 114 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1c46 n ARG 115 N -3.30 0.45 -0.06 3.52 5.12 -0.57 -4.81 116.66 117.01 1c46 n ARG 115 Ca -0.34 -0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.37 1c46 n ARG 115 Cb 1.04 -1.28 -0.05 0.00 -1.16 0.00 0.00 32.46 31.01 1c46 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c46 n GLN 117 N -3.14 1.87 -2.30 0.00 7.27 0.32 -2.26 117.38 119.15 1c46 n GLN 117 Ca -0.22 0.66 -0.17 0.00 0.07 0.00 0.00 57.00 57.33 1c46 n GLN 117 Cb 0.70 -2.20 -0.01 0.00 2.41 0.00 0.00 30.24 31.14 1c46 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1c46 n ASN 118 N 1.20 -5.09 -4.09 1.69 5.03 -1.26 -4.86 115.26 107.88 1c46 n ASN 118 Ca 0.08 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.43 1c46 n ASN 118 Cb 0.34 -4.18 -0.09 0.00 -1.02 0.00 0.00 39.78 34.83 1c46 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c46 s ARG 119 N -4.81 1.06 -0.04 3.52 0.52 -0.96 -5.13 118.95 113.11 1c46 s ARG 119 Ca 0.00 -1.38 -0.20 0.00 -0.52 0.00 0.00 55.73 53.63 1c46 s ARG 119 Cb 0.00 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 1c46 s ARG 119 CO 0.00 -0.34 0.56 0.34 0.02 0.00 0.00 175.30 175.88 1c46 s ASP 120 N -3.04 6.88 -0.07 0.23 2.15 -1.26 -4.95 116.67 116.61 1c46 s ASP 120 Ca 0.24 1.05 0.10 0.00 0.43 0.00 0.00 52.55 54.37 1c46 s ASP 120 Cb 0.06 -2.34 0.16 0.00 -0.30 0.00 0.00 42.92 40.50 1c46 s ASP 120 CO 0.03 0.07 1.08 1.33 -0.17 0.00 0.00 175.17 177.51 1c46 n VAL 121 N 3.04 1.47 0.29 1.11 0.24 -1.26 -4.72 118.33 118.49 1c46 n VAL 121 Ca -0.07 -1.66 0.16 0.00 -2.04 0.00 0.00 64.34 60.74 1c46 n VAL 121 Cb 0.51 0.11 0.87 0.00 -1.47 0.00 0.00 33.84 33.87 1c46 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1c46 h ARG 122 N 0.04 0.00 0.03 7.34 3.08 -1.92 -2.93 114.38 120.01 1c46 h ARG 122 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1c46 h ARG 122 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1c46 h ARG 122 CO 0.00 0.06 -0.16 -0.56 -1.07 0.00 0.00 179.97 178.23 1c46 h GLN 123 N 0.00 -0.27 -0.49 0.04 -0.00 -1.96 -1.50 115.11 110.93 1c46 h GLN 123 Ca -0.00 0.02 0.14 0.00 -0.00 0.00 0.00 58.65 58.81 1c46 h GLN 123 Cb 0.25 0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.77 1c46 h GLN 123 CO 0.01 -0.18 0.88 1.88 -0.00 0.00 0.00 178.83 181.42 1c46 h TYR 124 N -0.28 0.00 0.00 0.06 0.05 -1.85 0.79 116.97 115.74 1c46 h TYR 124 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1c46 h TYR 124 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1c46 h TYR 124 CO -0.20 0.00 -0.68 1.33 -1.05 0.00 0.00 178.16 177.55 1c46 n VAL 125 N -3.09 0.00 -1.68 -2.88 0.24 -0.95 -4.84 118.33 105.12 1c46 n VAL 125 Ca 0.10 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.71 1c46 n VAL 125 Cb 1.05 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 34.13 1c46 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c46 n GLN 126 N -1.37 2.01 0.00 7.34 6.02 0.27 -2.00 117.38 129.66 1c46 n GLN 126 Ca 0.00 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1c46 n GLN 126 Cb 0.10 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.10 1c46 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1c46 n GLY 127 N 0.87 2.57 0.17 1.08 0.00 -1.26 -4.87 105.19 103.75 1c46 n GLY 127 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1c46 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c46 n GLY 129 N 1.17 0.33 0.43 0.00 0.00 -1.26 -4.98 105.19 100.88 1c46 n GLY 129 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1c46 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65