#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6p s VAL 2 N 0.00 5.09 0.93 3.15 1.01 -1.25 -1.38 120.40 127.95 1d6p s VAL 2 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1d6p s VAL 2 Cb 0.00 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.39 1d6p s VAL 2 CO 0.00 -0.59 1.12 -0.36 0.00 0.00 0.00 175.10 175.27 1d6p s PHE 3 N 2.07 1.76 0.26 5.22 0.08 0.15 -4.97 117.98 122.55 1d6p s PHE 3 Ca 0.09 1.63 0.04 0.00 0.12 0.00 0.00 56.93 58.81 1d6p s PHE 3 Cb -0.20 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 38.97 1d6p s PHE 3 CO 0.10 -2.81 0.40 -2.00 -0.10 0.00 0.00 175.22 170.82 1d6p s GLU 4 N -4.68 3.45 0.04 0.44 2.56 -1.26 -4.87 118.70 114.39 1d6p s GLU 4 Ca 0.66 -0.63 -0.13 0.00 0.00 0.00 0.00 54.97 54.86 1d6p s GLU 4 Cb -0.22 -2.84 -0.05 0.00 2.00 0.00 0.00 34.13 33.02 1d6p s GLU 4 CO 0.59 0.37 1.22 -0.09 -0.56 0.00 0.00 175.26 176.78 1d6p h ARG 5 N 1.17 -0.24 0.00 4.30 2.43 -1.96 -1.58 114.38 118.50 1d6p h ARG 5 Ca -0.51 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 1d6p h ARG 5 Cb 1.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1d6p h ARG 5 CO 0.62 -0.16 -0.37 0.00 -1.51 0.00 0.00 179.97 178.55 1d6p h GLU 7 N 0.00 0.40 -0.45 0.00 4.81 -1.90 0.11 114.58 117.55 1d6p h GLU 7 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1d6p h GLU 7 Cb 0.67 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1d6p h GLU 7 CO 0.05 0.26 -0.08 1.25 -0.73 0.00 0.00 179.01 179.76 1d6p h LEU 8 N 0.41 0.85 0.20 1.64 5.85 -0.70 -2.69 115.31 120.88 1d6p h LEU 8 Ca 0.18 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1d6p h LEU 8 Cb 0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1d6p h LEU 8 CO -0.13 1.01 -0.28 0.00 -0.34 0.00 0.00 178.44 178.70 1d6p h ALA 9 N 0.88 -0.53 -0.89 1.25 0.00 -0.91 -0.30 119.26 118.76 1d6p h ALA 9 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1d6p h ALA 9 Cb 0.62 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1d6p h ALA 9 CO 0.04 -0.84 0.58 0.00 0.00 0.00 0.00 179.25 179.04 1d6p h ARG 10 N -0.54 1.18 0.05 0.00 3.08 -1.00 -1.89 114.38 115.25 1d6p h ARG 10 Ca 0.01 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1d6p h ARG 10 Cb 0.53 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1d6p h ARG 10 CO -0.11 0.79 -0.02 1.15 -1.07 0.00 0.00 179.97 180.70 1d6p h THR 11 N 1.21 0.98 -0.31 2.04 2.02 -1.11 0.23 112.91 117.97 1d6p h THR 11 Ca 0.33 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 1d6p h THR 11 Cb -0.13 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1d6p h THR 11 CO -0.07 0.02 -0.11 -0.07 0.37 0.00 0.00 175.52 175.67 1d6p h LEU 12 N -0.10 0.50 -0.21 2.58 3.38 -0.84 -0.13 115.31 120.49 1d6p h LEU 12 Ca -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1d6p h LEU 12 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1d6p h LEU 12 CO 0.01 0.65 -0.12 0.50 0.09 0.00 0.00 178.44 179.57 1d6p h LYS 13 N 0.49 0.45 -0.08 1.13 3.64 -1.13 -0.99 116.57 120.07 1d6p h LYS 13 Ca 0.09 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1d6p h LYS 13 Cb 0.48 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1d6p h LYS 13 CO 0.03 0.75 0.08 -0.09 -2.27 0.00 0.00 179.45 177.95 1d6p h ARG 14 N 0.15 0.00 -0.49 1.90 2.43 -0.41 -0.07 114.38 117.90 1d6p h ARG 14 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1d6p h ARG 14 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1d6p h ARG 14 CO 0.03 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 1d6p n LEU 15 N -3.97 2.59 -0.31 3.80 4.77 -0.11 -4.94 117.00 118.84 1d6p n LEU 15 Ca -0.01 -1.30 -0.04 0.00 -0.03 0.00 0.00 56.01 54.63 1d6p n LEU 15 Cb 0.19 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1d6p n LEU 15 CO 0.29 0.60 -0.04 0.61 -1.33 0.00 0.00 177.39 177.52 1d6p n GLY 16 N 1.15 0.68 0.22 -0.72 0.00 -0.04 -4.93 105.19 101.55 1d6p n GLY 16 Ca 0.15 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1d6p n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1d6p h MET 17 N 0.23 0.00 -6.31 1.61 2.86 -1.38 -3.40 114.93 108.54 1d6p h MET 17 Ca -0.08 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.99 1d6p h MET 17 Cb 0.36 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1d6p h MET 17 CO 0.12 0.11 0.95 0.34 1.06 0.00 0.00 176.91 179.48 1d6p s ASP 18 N -6.15 6.75 0.00 1.22 2.15 -1.26 -2.84 116.67 116.53 1d6p s ASP 18 Ca 0.05 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1d6p s ASP 18 Cb 0.07 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1d6p s ASP 18 CO 0.66 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1d6p n GLY 19 N 4.14 0.86 3.66 2.66 0.00 0.21 -4.90 105.19 111.82 1d6p n GLY 19 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1d6p n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d6p s TYR 20 N -3.37 1.46 -1.45 1.61 5.04 -1.13 -0.52 117.35 118.99 1d6p s TYR 20 Ca 0.00 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.32 1d6p s TYR 20 Cb 0.00 -4.17 0.01 0.00 0.35 0.00 0.00 41.96 38.15 1d6p s TYR 20 CO 0.00 -5.17 0.10 -2.13 -1.34 0.00 0.00 175.55 167.02 1d6p n ARG 21 N 7.39 -2.38 -0.08 4.97 0.63 -1.26 -1.01 116.66 124.92 1d6p n ARG 21 Ca 0.19 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1d6p n ARG 21 Cb 0.41 -5.48 0.00 0.00 0.45 0.00 0.00 32.46 27.85 1d6p n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1d6p n GLY 22 N -1.01 1.99 3.63 5.14 0.00 0.32 -5.01 105.19 110.26 1d6p n GLY 22 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1d6p n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d6p s ILE 23 N -2.79 4.43 0.86 -0.61 1.01 -0.18 -4.73 121.20 119.19 1d6p s ILE 23 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.16 1d6p s ILE 23 Cb 0.00 -4.42 0.11 0.00 0.01 0.00 0.00 42.46 38.16 1d6p s ILE 23 CO 0.00 -0.56 1.17 -0.44 0.00 0.00 0.00 174.94 175.11 1d6p s SER 24 N 1.88 3.31 0.18 3.58 0.01 -1.26 0.64 113.70 122.04 1d6p s SER 24 Ca 0.47 2.24 -0.12 0.00 1.31 0.00 0.00 55.95 59.85 1d6p s SER 24 Cb -0.12 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.63 1d6p s SER 24 CO 0.19 -2.85 1.81 0.25 0.41 0.00 0.00 173.24 173.05 1d6p h LEU 25 N -1.40 0.74 -1.67 2.44 5.85 -1.91 -2.35 115.31 117.01 1d6p h LEU 25 Ca -0.44 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1d6p h LEU 25 Cb 1.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1d6p h LEU 25 CO 0.44 0.60 -0.11 0.00 -0.34 0.00 0.00 178.44 179.02 1d6p h ALA 26 N 1.18 1.73 -0.54 1.25 0.00 -1.92 0.61 119.26 121.57 1d6p h ALA 26 Ca 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1d6p h ALA 26 Cb -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1d6p h ALA 26 CO -0.04 0.20 -0.09 -0.91 0.00 0.00 0.00 179.25 178.42 1d6p h ASN 27 N 0.06 1.00 0.26 0.00 2.35 -1.72 0.80 115.58 118.33 1d6p h ASN 27 Ca 0.01 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.30 1d6p h ASN 27 Cb 0.24 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1d6p h ASN 27 CO 0.02 1.11 -0.45 -0.50 -1.65 0.00 0.00 177.43 175.95 1d6p h TRP 28 N 0.88 0.29 -0.20 1.19 4.06 -1.19 -1.58 115.95 119.40 1d6p h TRP 28 Ca 0.14 -0.09 -0.19 0.00 2.06 0.00 0.00 58.89 60.81 1d6p h TRP 28 Cb 0.65 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1d6p h TRP 28 CO 0.05 0.66 -0.63 0.52 -3.56 0.00 0.00 178.44 175.47 1d6p h MET 29 N 0.20 0.73 0.16 0.49 2.86 -0.21 -2.33 114.93 116.83 1d6p h MET 29 Ca 0.01 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1d6p h MET 29 Cb 0.88 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1d6p h MET 29 CO 0.07 1.13 -0.08 0.00 1.06 0.00 0.00 176.91 179.10 1d6p h LEU 31 N -0.35 0.61 -0.70 0.00 8.10 -1.35 -2.28 115.31 119.35 1d6p h LEU 31 Ca -0.02 -0.07 -0.09 0.00 0.11 0.00 0.00 57.88 57.81 1d6p h LEU 31 Cb 0.27 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.31 1d6p h LEU 31 CO 0.04 0.56 0.04 0.00 -4.11 0.00 0.00 178.44 174.96 1d6p h ALA 32 N 1.54 0.91 0.48 0.17 0.00 -1.22 0.29 119.26 121.43 1d6p h ALA 32 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1d6p h ALA 32 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1d6p h ALA 32 CO -0.02 0.66 -0.28 -0.22 0.00 0.00 0.00 179.25 179.39 1d6p h LYS 33 N 0.96 -0.69 0.00 0.00 1.63 -0.86 -1.00 116.57 116.62 1d6p h LYS 33 Ca 0.18 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1d6p h LYS 33 Cb 0.50 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1d6p h LYS 33 CO 0.02 -0.46 0.00 -1.49 -3.45 0.00 0.00 179.45 174.07 1d6p h TRP 34 N -0.71 0.00 0.09 1.91 4.06 -1.28 0.12 115.95 120.14 1d6p h TRP 34 Ca -0.06 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.64 1d6p h TRP 34 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1d6p h TRP 34 CO -0.08 0.00 -1.32 0.93 -3.56 0.00 0.00 178.44 174.41 1d6p h GLU 35 N 0.00 0.20 0.00 0.49 4.39 -0.34 -3.44 114.58 115.87 1d6p h GLU 35 Ca 0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1d6p h GLU 35 Cb 0.76 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1d6p h GLU 35 CO 0.00 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 1d6p n SER 36 N -4.02 0.23 -3.64 1.42 3.41 -0.44 -4.82 113.62 105.77 1d6p n SER 36 Ca -0.25 -0.98 -0.27 0.00 -0.26 0.00 0.00 58.87 57.12 1d6p n SER 36 Cb 0.85 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.85 1d6p n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d6p n GLY 37 N 0.01 -0.52 2.94 5.00 0.00 0.41 -1.54 105.19 111.50 1d6p n GLY 37 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1d6p n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1d6p n TYR 38 N -4.70 -1.70 -3.92 1.61 0.53 -1.21 -4.83 117.16 102.95 1d6p n TYR 38 Ca 0.01 0.34 -0.35 0.00 -1.02 0.00 0.00 57.90 56.88 1d6p n TYR 38 Cb 0.55 -3.62 -0.14 0.00 -1.03 0.00 0.00 39.34 35.10 1d6p n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1d6p s ASN 39 N -2.50 4.53 0.55 7.72 2.47 -0.59 0.34 114.94 127.45 1d6p s ASN 39 Ca 0.24 -0.89 0.32 0.00 0.42 0.00 0.00 52.86 52.95 1d6p s ASN 39 Cb -0.12 -1.71 1.51 0.00 -1.45 0.00 0.00 41.25 39.48 1d6p s ASN 39 CO 0.30 -0.16 2.05 0.71 -3.72 0.00 0.00 177.10 176.28 1d6p h THR 40 N 6.13 0.26 -0.60 -5.21 1.35 -1.55 -2.88 112.91 110.41 1d6p h THR 40 Ca -0.31 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1d6p h THR 40 Cb 1.10 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1d6p h THR 40 CO 0.57 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 176.46 1d6p n ARG 41 N -3.30 3.45 -2.49 4.72 5.12 -1.26 -4.09 116.66 118.80 1d6p n ARG 41 Ca -0.01 -2.61 -0.42 0.00 -1.93 0.00 0.00 57.85 52.88 1d6p n ARG 41 Cb 0.26 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.71 1d6p n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d6p s ALA 42 N -1.78 3.34 -0.02 7.54 0.00 -1.09 -4.81 121.76 124.95 1d6p s ALA 42 Ca 0.47 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 1d6p s ALA 42 Cb 0.30 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1d6p s ALA 42 CO 0.23 -0.40 0.05 0.95 0.00 0.00 0.00 175.76 176.59 1d6p s THR 43 N 1.09 -0.01 -0.07 0.00 -4.23 -1.26 0.20 115.64 111.36 1d6p s THR 43 Ca 0.57 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1d6p s THR 43 Cb -0.27 -0.08 0.02 0.00 1.34 0.00 0.00 72.50 73.50 1d6p s THR 43 CO 0.29 0.02 -0.06 0.20 -0.54 0.00 0.00 174.62 174.53 1d6p s ASN 44 N 0.29 1.48 -0.19 3.99 -0.87 0.70 -4.94 114.94 115.40 1d6p s ASN 44 Ca -0.02 -0.19 -0.08 0.00 -1.57 0.00 0.00 52.86 51.00 1d6p s ASN 44 Cb -0.03 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.25 40.55 1d6p s ASN 44 CO -0.01 -0.08 0.08 -0.47 -2.57 0.00 0.00 177.10 174.05 1d6p s TYR 45 N 1.23 3.27 -0.52 2.20 6.14 -1.26 0.19 117.35 128.60 1d6p s TYR 45 Ca -0.05 0.10 -0.18 0.00 0.64 0.00 0.00 57.07 57.58 1d6p s TYR 45 Cb -0.14 -2.11 0.08 0.00 0.42 0.00 0.00 41.96 40.21 1d6p s TYR 45 CO -0.02 0.15 0.56 1.21 0.64 0.00 0.00 175.55 178.09 1d6p s ASN 46 N 0.47 6.19 0.60 4.32 3.84 -0.11 -4.93 114.94 125.32 1d6p s ASN 46 Ca 0.04 -1.24 0.37 0.00 0.21 0.00 0.00 52.86 52.24 1d6p s ASN 46 Cb -0.12 -2.25 1.88 0.00 -0.55 0.00 0.00 41.25 40.20 1d6p s ASN 46 CO 0.00 -0.87 2.19 0.00 -2.79 0.00 0.00 177.10 175.64 1d6p h ALA 47 N 8.96 1.11 0.45 1.71 0.00 -1.96 0.08 119.26 129.60 1d6p h ALA 47 Ca -0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1d6p h ALA 47 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1d6p h ALA 47 CO 0.98 0.04 -0.22 0.78 0.00 0.00 0.00 179.25 180.83 1d6p h GLY 48 N 0.74 -0.64 -1.20 0.00 0.00 -1.95 -3.29 103.07 96.74 1d6p h GLY 48 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1d6p h GLY 48 CO 0.00 -0.23 0.00 2.09 0.00 0.00 0.00 176.54 178.40 1d6p n ASP 49 N -5.18 2.06 -3.76 0.19 5.68 -1.22 -4.97 116.55 109.35 1d6p n ASP 49 Ca -0.08 -1.82 -0.27 0.00 -0.50 0.00 0.00 54.79 52.12 1d6p n ASP 49 Cb 0.25 -0.16 0.05 0.00 -1.14 0.00 0.00 41.12 40.12 1d6p n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1d6p n ARG 50 N 0.59 -6.66 -4.35 0.11 1.74 0.01 -4.88 116.66 103.21 1d6p n ARG 50 Ca 0.16 0.71 -0.18 0.00 -0.77 0.00 0.00 57.85 57.77 1d6p n ARG 50 Cb 0.38 -5.67 -0.10 0.00 -1.02 0.00 0.00 32.46 26.04 1d6p n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1d6p s SER 51 N -3.37 2.04 0.22 0.55 1.04 -1.19 -4.40 113.70 108.58 1d6p s SER 51 Ca 0.59 -1.21 0.11 0.00 0.48 0.00 0.00 55.95 55.92 1d6p s SER 51 Cb -0.28 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 1d6p s SER 51 CO 0.78 -0.48 -0.20 -0.89 0.98 0.00 0.00 173.24 173.44 1d6p s THR 52 N -3.33 2.56 -0.22 2.02 2.01 -1.26 -0.93 115.64 116.48 1d6p s THR 52 Ca 0.29 -2.08 -0.04 0.00 0.31 0.00 0.00 61.69 60.17 1d6p s THR 52 Cb 0.05 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1d6p s THR 52 CO 0.09 -0.21 -0.04 -1.81 -0.69 0.00 0.00 174.62 171.97 1d6p s ASP 53 N -2.97 4.33 -0.08 3.53 -0.00 0.13 -0.47 116.67 121.14 1d6p s ASP 53 Ca 0.24 -0.41 -0.02 0.00 -0.00 0.00 0.00 52.55 52.36 1d6p s ASP 53 Cb -0.07 -1.74 -0.03 0.00 -0.00 0.00 0.00 42.92 41.07 1d6p s ASP 53 CO 0.12 -0.03 0.01 -0.31 -0.00 0.00 0.00 175.17 174.96 1d6p s TYR 54 N 1.48 3.17 0.00 4.23 2.02 -0.56 -0.22 117.35 127.47 1d6p s TYR 54 Ca 0.06 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1d6p s TYR 54 Cb -0.14 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1d6p s TYR 54 CO -0.03 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 1d6p n GLY 55 N 2.09 -0.22 0.24 0.71 0.00 0.54 -1.25 105.19 107.30 1d6p n GLY 55 Ca -0.18 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.84 1d6p n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1d6p h ILE 56 N 0.00 0.70 -0.65 -0.61 2.10 -1.71 -0.38 117.51 116.96 1d6p h ILE 56 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1d6p h ILE 56 Cb 0.00 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.03 1d6p h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1d6p n PHE 57 N -5.04 0.91 -3.43 2.19 3.01 -1.26 -3.80 117.46 110.05 1d6p n PHE 57 Ca 0.10 -0.45 -0.23 0.00 1.01 0.00 0.00 57.45 57.88 1d6p n PHE 57 Cb 0.32 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 1d6p n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d6p n GLN 58 N 1.38 -1.33 -3.34 -1.08 1.13 -0.15 -4.89 117.38 109.10 1d6p n GLN 58 Ca 0.22 0.73 -0.38 0.00 -1.94 0.00 0.00 57.00 55.63 1d6p n GLN 58 Cb 0.57 -1.74 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 1d6p n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1d6p s ILE 59 N -2.40 5.19 0.26 5.09 1.01 -0.38 -4.62 121.20 125.34 1d6p s ILE 59 Ca 0.08 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1d6p s ILE 59 Cb -0.01 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 1d6p s ILE 59 CO 0.72 0.29 1.36 0.21 0.00 0.00 0.00 174.94 177.52 1d6p s ASN 60 N 0.80 6.76 0.00 3.58 3.84 -1.26 -1.50 114.94 127.16 1d6p s ASN 60 Ca 0.23 2.59 0.30 0.00 0.21 0.00 0.00 52.86 56.19 1d6p s ASN 60 Cb -0.15 -2.63 1.63 0.00 -0.55 0.00 0.00 41.25 39.55 1d6p s ASN 60 CO 0.09 -0.60 2.08 -1.54 -2.79 0.00 0.00 177.10 174.34 1d6p n SER 61 N 2.02 0.00 0.02 -4.21 3.41 0.38 -2.50 113.62 112.74 1d6p n SER 61 Ca 0.05 -0.47 -0.20 0.00 -0.26 0.00 0.00 58.87 57.98 1d6p n SER 61 Cb 0.41 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 1d6p n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1d6p h ARG 62 N 0.00 0.27 0.00 4.33 2.43 -1.83 -3.43 114.38 116.15 1d6p h ARG 62 Ca 0.00 -0.46 -0.43 0.00 -0.81 0.00 0.00 59.98 58.28 1d6p h ARG 62 Cb 0.16 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 1d6p h ARG 62 CO 0.00 1.17 -2.47 1.28 -1.51 0.00 0.00 179.97 178.44 1d6p n LEU 63 N -3.47 2.33 -0.14 3.80 7.99 -1.24 0.23 117.00 126.51 1d6p n LEU 63 Ca -0.29 0.17 -0.28 0.00 -0.01 0.00 0.00 56.01 55.61 1d6p n LEU 63 Cb 1.05 -0.86 -0.10 0.00 -0.11 0.00 0.00 43.42 43.40 1d6p n LEU 63 CO 0.45 0.70 -1.43 0.79 -1.51 0.00 0.00 177.39 176.39 1d6p n TRP 64 N -3.89 0.00 -3.88 -1.77 7.02 -1.04 -0.50 117.44 113.38 1d6p n TRP 64 Ca -0.50 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 55.72 1d6p n TRP 64 Cb 0.92 -0.99 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 1d6p n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1d6p s ASN 66 N -4.20 2.06 0.00 0.00 2.47 -0.11 -4.41 114.94 110.74 1d6p s ASN 66 Ca 0.37 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 53.37 1d6p s ASN 66 Cb -0.02 -0.89 0.01 0.00 -1.45 0.00 0.00 41.25 38.91 1d6p s ASN 66 CO 0.22 -0.02 0.52 -0.90 -3.72 0.00 0.00 177.10 173.20 1d6p n ASP 67 N 4.30 1.07 0.00 -4.21 5.68 -1.26 0.08 116.55 122.21 1d6p n ASP 67 Ca -0.19 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1d6p n ASP 67 Cb 0.51 0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1d6p n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d6p n GLY 68 N 0.56 2.73 1.26 6.12 0.00 -1.26 -4.77 105.19 109.84 1d6p n GLY 68 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1d6p n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1d6p n LYS 69 N -0.78 2.79 -3.70 1.61 2.85 -1.26 -4.94 118.16 114.73 1d6p n LYS 69 Ca 0.00 -2.59 -0.37 0.00 -1.05 0.00 0.00 58.31 54.30 1d6p n LYS 69 Cb 0.00 -1.54 -0.12 0.00 -0.65 0.00 0.00 35.03 32.72 1d6p n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1d6p s THR 70 N -1.04 4.60 -0.13 0.58 2.01 -1.26 -5.00 115.64 115.40 1d6p s THR 70 Ca 0.46 -0.11 -0.35 0.00 0.31 0.00 0.00 61.69 61.99 1d6p s THR 70 Cb 0.24 -3.18 -0.12 0.00 0.01 0.00 0.00 72.50 69.44 1d6p s THR 70 CO 0.31 0.29 1.86 -2.65 -0.69 0.00 0.00 174.62 173.74 1d6p n PRO 71 N 4.97 1.96 -2.79 4.92 -0.02 -1.26 -2.96 135.00 139.82 1d6p n PRO 71 Ca -0.15 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1d6p n PRO 71 Cb 0.51 -2.54 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1d6p n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d6p n GLY 72 N 4.40 0.00 3.77 -1.23 0.00 -1.26 -4.96 105.19 105.91 1d6p n GLY 72 Ca 0.24 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1d6p n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d6p s ALA 73 N -2.96 3.16 -0.14 4.61 0.00 -1.16 -4.87 121.76 120.40 1d6p s ALA 73 Ca 0.21 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.21 1d6p s ALA 73 Cb -0.09 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1d6p s ALA 73 CO 0.26 -0.48 0.03 0.28 0.00 0.00 0.00 175.76 175.85 1d6p n VAL 74 N 0.10 0.92 -3.50 0.00 0.31 0.14 -5.01 118.33 111.30 1d6p n VAL 74 Ca 0.04 -0.55 -0.21 0.00 -0.01 0.00 0.00 64.34 63.62 1d6p n VAL 74 Cb 0.47 -0.69 0.03 0.00 -0.91 0.00 0.00 33.84 32.74 1d6p n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1d6p n ASN 75 N -2.54 -6.03 0.15 4.52 5.15 -0.88 -4.89 115.26 110.73 1d6p n ASN 75 Ca -0.22 -0.74 0.02 0.00 -0.60 0.00 0.00 54.58 53.04 1d6p n ASN 75 Cb 0.92 -3.78 0.13 0.00 -0.53 0.00 0.00 39.78 36.52 1d6p n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d6p h ALA 76 N 0.71 0.76 0.00 5.20 0.00 -0.54 -3.06 119.26 122.33 1d6p h ALA 76 Ca -0.49 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1d6p h ALA 76 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1d6p h ALA 76 CO 0.41 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 180.20 1d6p n HIS 78 N -1.52 -2.31 -4.39 0.00 -0.00 -1.16 -4.96 115.22 100.88 1d6p n HIS 78 Ca 0.07 0.91 -0.20 0.00 -0.00 0.00 0.00 57.72 58.50 1d6p n HIS 78 Cb 0.34 -4.19 -0.10 0.00 -0.00 0.00 0.00 29.99 26.04 1d6p n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1d6p s LEU 79 N -7.18 2.47 -0.04 2.41 1.43 -1.26 -5.07 118.68 111.45 1d6p s LEU 79 Ca 0.53 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1d6p s LEU 79 Cb -0.26 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 1d6p s LEU 79 CO 0.81 -0.31 0.30 -0.55 0.23 0.00 0.00 176.35 176.83 1d6p s SER 80 N -3.38 6.63 0.11 2.29 0.15 -1.26 -0.94 113.70 117.30 1d6p s SER 80 Ca 0.27 0.75 0.11 0.00 0.70 0.00 0.00 55.95 57.79 1d6p s SER 80 Cb 0.03 -2.17 0.55 0.00 -1.71 0.00 0.00 66.02 62.71 1d6p s SER 80 CO 0.10 0.34 1.36 0.00 1.20 0.00 0.00 173.24 176.24 1d6p h SER 82 N 0.00 0.01 0.53 0.00 4.64 -1.93 -2.46 113.55 114.34 1d6p h SER 82 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d6p h SER 82 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1d6p h SER 82 CO 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 1d6p h ALA 83 N 1.39 1.00 -0.39 5.18 0.00 -1.22 -1.05 119.26 124.17 1d6p h ALA 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d6p h ALA 83 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1d6p h ALA 83 CO 0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1d6p n LEU 84 N -2.34 2.89 -0.30 0.00 4.77 -0.93 -4.00 117.00 117.09 1d6p n LEU 84 Ca 0.01 -1.31 0.03 0.00 -0.03 0.00 0.00 56.01 54.71 1d6p n LEU 84 Cb 0.18 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1d6p n LEU 84 CO 0.18 0.65 0.41 0.18 -1.33 0.00 0.00 177.39 177.48 1d6p n LEU 85 N 1.11 1.82 -4.79 2.23 4.77 -0.40 -3.83 117.00 117.92 1d6p n LEU 85 Ca 0.19 -1.26 -0.34 0.00 -0.03 0.00 0.00 56.01 54.56 1d6p n LEU 85 Cb 0.50 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1d6p n LEU 85 CO 0.14 0.40 0.74 -1.10 -1.33 0.00 0.00 177.39 176.25 1d6p s GLN 86 N -0.68 3.37 0.42 3.23 -0.21 -1.24 -4.52 119.66 120.04 1d6p s GLN 86 Ca 0.09 1.41 0.29 0.00 0.02 0.00 0.00 55.36 57.18 1d6p s GLN 86 Cb 0.06 -2.03 1.25 0.00 1.00 0.00 0.00 33.01 33.30 1d6p s GLN 86 CO 0.09 -0.80 1.88 -0.44 -2.12 0.00 0.00 175.29 173.89 1d6p h ASP 87 N 0.92 0.00 -3.38 5.90 5.19 -1.95 -3.39 116.42 119.71 1d6p h ASP 87 Ca -0.49 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.33 1d6p h ASP 87 Cb 1.24 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.65 1d6p h ASP 87 CO 0.57 0.00 0.28 0.21 -3.12 0.00 0.00 179.24 177.18 1d6p s ASN 88 N -4.97 6.74 0.00 6.45 3.84 -1.26 -4.95 114.94 120.78 1d6p s ASN 88 Ca 0.02 0.91 0.20 0.00 0.21 0.00 0.00 52.86 54.20 1d6p s ASN 88 Cb 0.09 -2.39 0.60 0.00 -0.55 0.00 0.00 41.25 39.00 1d6p s ASN 88 CO 0.46 -0.39 1.47 2.30 -2.79 0.00 0.00 177.10 178.14 1d6p n ILE 89 N 5.01 0.35 -0.19 -5.21 -5.35 -1.26 -4.40 119.36 108.31 1d6p n ILE 89 Ca 0.02 -0.49 -0.01 0.00 -0.27 0.00 0.00 62.75 62.00 1d6p n ILE 89 Cb 0.49 0.52 0.09 0.00 -1.74 0.00 0.00 39.64 39.00 1d6p n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d6p h ALA 90 N 4.13 0.70 -0.32 -1.28 0.00 -1.94 0.10 119.26 120.65 1d6p h ALA 90 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1d6p h ALA 90 Cb 0.63 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1d6p h ALA 90 CO 0.00 -0.25 -0.35 -0.44 0.00 0.00 0.00 179.25 178.22 1d6p h ASP 91 N 0.33 0.76 -0.29 0.00 3.45 -1.84 -2.81 116.42 116.02 1d6p h ASP 91 Ca 0.29 -0.32 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 1d6p h ASP 91 Cb 0.37 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1d6p h ASP 91 CO -0.32 1.04 -0.14 0.00 -1.57 0.00 0.00 179.24 178.25 1d6p h ALA 92 N 1.00 1.02 -0.25 3.45 0.00 -1.55 -2.80 119.26 120.13 1d6p h ALA 92 Ca 0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1d6p h ALA 92 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1d6p h ALA 92 CO 0.08 0.59 -0.33 0.28 0.00 0.00 0.00 179.25 179.86 1d6p h VAL 93 N 0.65 1.29 -0.16 0.00 2.07 -0.77 0.19 116.25 119.52 1d6p h VAL 93 Ca 0.11 -1.45 -0.18 0.00 0.82 0.00 0.00 66.70 66.01 1d6p h VAL 93 Cb 0.60 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1d6p h VAL 93 CO 0.04 0.46 -0.59 0.00 0.02 0.00 0.00 177.57 177.50 1d6p h ALA 94 N 1.18 0.28 -0.28 1.67 0.00 -1.42 -1.73 119.26 118.96 1d6p h ALA 94 Ca 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1d6p h ALA 94 Cb 0.80 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1d6p h ALA 94 CO 0.07 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.85 1d6p h ALA 96 N 0.84 2.10 -0.40 0.00 0.00 -0.91 0.56 119.26 121.45 1d6p h ALA 96 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1d6p h ALA 96 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1d6p h ALA 96 CO 0.01 -0.22 -0.28 0.87 0.00 0.00 0.00 179.25 179.64 1d6p h LYS 97 N 0.27 0.86 -0.54 0.00 1.57 -0.35 -2.67 116.57 115.71 1d6p h LYS 97 Ca 0.23 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1d6p h LYS 97 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1d6p h LYS 97 CO -0.05 1.03 0.28 -0.09 -0.57 0.00 0.00 179.45 180.05 1d6p h ARG 98 N 0.73 0.77 -0.22 3.15 9.65 0.14 -3.00 114.38 125.61 1d6p h ARG 98 Ca 0.09 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1d6p h ARG 98 Cb 0.83 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.22 1d6p h ARG 98 CO 0.07 0.62 -0.05 0.28 2.80 0.00 0.00 179.97 183.69 1d6p h VAL 99 N 0.73 0.79 0.00 0.20 2.07 -0.67 -2.08 116.25 117.28 1d6p h VAL 99 Ca 0.19 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1d6p h VAL 99 Cb 0.09 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1d6p h VAL 99 CO -0.03 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.19 1d6p h VAL 100 N 0.00 0.00 0.00 2.57 -1.51 -1.40 -2.14 116.25 113.77 1d6p h VAL 100 Ca 0.10 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1d6p h VAL 100 Cb 0.16 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1d6p h VAL 100 CO -0.22 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.66 1d6p n ARG 101 N -2.70 0.19 -1.47 5.19 1.74 -0.78 -3.94 116.66 114.89 1d6p n ARG 101 Ca -0.01 0.16 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 1d6p n ARG 101 Cb 0.12 -1.73 0.07 0.00 -1.02 0.00 0.00 32.46 29.90 1d6p n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1d6p s ASP 102 N -4.13 4.98 0.18 0.55 1.11 -0.81 -4.90 116.67 113.66 1d6p s ASP 102 Ca 0.11 1.63 -0.05 0.00 0.18 0.00 0.00 52.55 54.42 1d6p s ASP 102 Cb 0.14 -2.43 0.30 0.00 1.07 0.00 0.00 42.92 41.99 1d6p s ASP 102 CO 0.57 -1.70 1.03 -2.65 1.18 0.00 0.00 175.17 173.60 1d6p n PRO 103 N -3.30 -0.06 -0.04 8.23 -0.02 -1.26 -1.32 135.00 137.23 1d6p n PRO 103 Ca 0.08 1.03 0.10 0.00 -2.02 0.00 0.00 63.50 62.69 1d6p n PRO 103 Cb 0.54 -1.54 0.47 0.00 -0.02 0.00 0.00 33.50 32.95 1d6p n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d6p n GLN 104 N -5.08 1.43 0.00 -0.52 10.64 -1.26 -5.01 117.38 117.58 1d6p n GLN 104 Ca 0.10 -0.64 0.00 0.00 -1.83 0.00 0.00 57.00 54.63 1d6p n GLN 104 Cb 0.33 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1d6p n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1d6p n GLY 105 N 1.00 3.00 0.00 2.61 0.00 -0.43 -1.80 105.19 109.57 1d6p n GLY 105 Ca 0.16 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1d6p n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1d6p n ILE 106 N 0.00 0.46 0.36 -0.61 3.06 -1.26 -2.62 119.36 118.75 1d6p n ILE 106 Ca 0.00 0.11 0.05 0.00 -2.50 0.00 0.00 62.75 60.42 1d6p n ILE 106 Cb 0.00 -0.74 0.24 0.00 0.54 0.00 0.00 39.64 39.68 1d6p n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1d6p n ARG 107 N -1.45 0.01 0.18 9.51 3.00 -0.75 -2.33 116.66 124.83 1d6p n ARG 107 Ca 0.06 0.33 0.13 0.00 -0.01 0.00 0.00 57.85 58.37 1d6p n ARG 107 Cb 0.24 -1.53 0.61 0.00 0.00 0.00 0.00 32.46 31.78 1d6p n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d6p h ALA 108 N 2.35 1.00 -2.95 7.54 0.00 -1.65 -3.39 119.26 122.17 1d6p h ALA 108 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1d6p h ALA 108 Cb 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.69 1d6p h ALA 108 CO 0.00 0.00 -0.52 -1.58 0.00 0.00 0.00 179.25 177.15 1d6p s TRP 109 N -3.51 3.33 0.22 0.00 0.51 -0.98 -4.98 118.94 113.53 1d6p s TRP 109 Ca 0.01 -1.57 -0.08 0.00 -2.12 0.00 0.00 56.10 52.34 1d6p s TRP 109 Cb 0.09 -2.74 0.33 0.00 -0.81 0.00 0.00 33.47 30.33 1d6p s TRP 109 CO 0.35 -0.82 1.72 0.28 -0.51 0.00 0.00 176.95 177.98 1d6p h VAL 110 N 6.13 0.68 0.00 4.03 2.07 -1.88 0.37 116.25 127.66 1d6p h VAL 110 Ca -0.22 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1d6p h VAL 110 Cb 1.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1d6p h VAL 110 CO 0.70 0.06 -0.17 0.00 0.02 0.00 0.00 177.57 178.18 1d6p h ALA 111 N 1.48 1.41 -0.14 1.67 0.00 -1.93 -0.36 119.26 121.38 1d6p h ALA 111 Ca 0.34 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1d6p h ALA 111 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d6p h ALA 111 CO -0.37 0.22 -0.66 2.35 0.00 0.00 0.00 179.25 180.78 1d6p h TRP 112 N 0.00 0.70 -0.08 0.00 7.01 -1.26 -1.25 115.95 121.07 1d6p h TRP 112 Ca -0.00 -0.28 -0.12 0.00 2.11 0.00 0.00 58.89 60.60 1d6p h TRP 112 Cb 0.38 -0.12 0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1d6p h TRP 112 CO 0.00 1.04 -0.41 0.00 -2.79 0.00 0.00 178.44 176.28 1d6p h ARG 113 N 0.39 0.41 -0.24 2.65 3.08 -0.88 -1.64 114.38 118.15 1d6p h ARG 113 Ca -0.02 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.60 1d6p h ARG 113 Cb 1.23 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1d6p h ARG 113 CO 0.12 0.98 -0.25 -0.91 -1.07 0.00 0.00 179.97 178.84 1d6p h ASN 114 N -0.05 0.46 0.00 7.04 2.35 -1.06 -3.33 115.58 120.98 1d6p h ASN 114 Ca -0.03 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1d6p h ASN 114 Cb 1.06 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1d6p h ASN 114 CO 0.08 0.70 -0.26 0.54 -1.65 0.00 0.00 177.43 176.85 1d6p n ARG 115 N -4.13 5.29 0.00 0.81 5.12 -0.48 -4.88 116.66 118.39 1d6p n ARG 115 Ca -0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1d6p n ARG 115 Cb 0.40 -0.69 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1d6p n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d6p n GLN 117 N -1.94 1.96 -2.16 0.00 7.27 -0.66 -1.45 117.38 120.41 1d6p n GLN 117 Ca 0.00 0.71 -0.19 0.00 0.07 0.00 0.00 57.00 57.59 1d6p n GLN 117 Cb 0.45 -2.44 -0.03 0.00 2.41 0.00 0.00 30.24 30.63 1d6p n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1d6p n ASN 118 N 3.11 -5.26 -4.62 1.69 5.03 -1.26 -4.96 115.26 108.98 1d6p n ASN 118 Ca 0.17 0.16 -0.26 0.00 0.87 0.00 0.00 54.58 55.51 1d6p n ASN 118 Cb 0.27 -4.48 -0.10 0.00 -1.02 0.00 0.00 39.78 34.45 1d6p n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1d6p s ARG 119 N -4.62 1.99 -0.15 3.52 0.52 -0.53 -5.09 118.95 114.59 1d6p s ARG 119 Ca 0.00 -1.96 -0.24 0.00 -0.52 0.00 0.00 55.73 53.00 1d6p s ARG 119 Cb 0.00 -1.76 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 1d6p s ARG 119 CO 0.00 0.02 0.78 0.34 0.02 0.00 0.00 175.30 176.46 1d6p s ASP 120 N -3.72 6.93 -0.08 0.23 -1.08 -1.26 -4.91 116.67 112.79 1d6p s ASP 120 Ca 0.35 1.14 0.11 0.00 -0.52 0.00 0.00 52.55 53.63 1d6p s ASP 120 Cb 0.05 -2.43 0.17 0.00 -1.46 0.00 0.00 42.92 39.25 1d6p s ASP 120 CO 0.19 -0.33 1.06 1.33 0.52 0.00 0.00 175.17 177.94 1d6p n VAL 121 N 4.55 1.32 0.04 1.11 0.24 -1.26 -4.82 118.33 119.51 1d6p n VAL 121 Ca 0.03 -1.54 0.01 0.00 -2.04 0.00 0.00 64.34 60.79 1d6p n VAL 121 Cb 0.49 0.09 0.32 0.00 -1.47 0.00 0.00 33.84 33.28 1d6p n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1d6p h ARG 122 N 0.00 0.43 0.00 7.34 3.08 -1.91 -3.08 114.38 120.24 1d6p h ARG 122 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1d6p h ARG 122 Cb 0.95 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1d6p h ARG 122 CO 0.00 0.50 0.21 -0.56 -1.07 0.00 0.00 179.97 179.05 1d6p h GLN 123 N 0.42 0.00 0.00 0.04 3.07 -1.96 -0.80 115.11 115.87 1d6p h GLN 123 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1d6p h GLN 123 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1d6p h GLN 123 CO 0.01 0.00 0.00 1.88 0.09 0.00 0.00 178.83 180.81 1d6p h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.89 -3.30 116.97 111.89 1d6p h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1d6p h TYR 124 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1d6p h TYR 124 CO 0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1d6p n VAL 125 N -2.44 0.78 -2.83 -2.88 0.24 -0.33 -4.79 118.33 106.07 1d6p n VAL 125 Ca 0.05 -0.85 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1d6p n VAL 125 Cb 0.45 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.41 1d6p n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1d6p s GLN 126 N -0.78 4.13 0.00 7.34 1.11 -1.06 -2.98 119.66 127.43 1d6p s GLN 126 Ca 0.00 0.95 0.00 0.00 0.01 0.00 0.00 55.36 56.32 1d6p s GLN 126 Cb 0.00 -3.68 0.00 0.00 -1.01 0.00 0.00 33.01 28.32 1d6p s GLN 126 CO 0.00 -0.63 0.00 0.41 0.01 0.00 0.00 175.29 175.08 1d6p n GLY 127 N 3.79 0.26 0.19 3.09 0.00 -1.26 -4.95 105.19 106.31 1d6p n GLY 127 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1d6p n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d6p n GLY 129 N 0.69 2.82 0.00 0.00 0.00 -1.26 -4.80 105.19 102.65 1d6p n GLY 129 Ca 0.03 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1d6p n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65