#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dms s SER 2 N 0.00 6.29 -0.83 1.61 0.01 -1.26 -5.05 113.70 114.48 2dms s SER 2 Ca 0.00 0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.45 2dms s SER 2 Cb 0.00 -2.06 0.12 0.00 0.21 0.00 0.00 66.02 64.29 2dms s SER 2 CO 0.00 0.34 1.02 -0.55 0.41 0.00 0.00 173.24 174.46 2dms s SER 3 N -0.61 6.49 1.97 2.44 0.15 -1.26 -4.94 113.70 117.94 2dms s SER 3 Ca 0.13 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2dms s SER 3 Cb -0.12 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2dms s SER 3 CO 0.02 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.95 2dms n GLY 4 N 5.35 3.60 3.35 9.45 0.00 -1.26 -4.78 105.19 120.90 2dms n GLY 4 Ca 0.14 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2dms n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dms s SER 5 N -4.00 -0.39 0.21 1.61 0.01 -1.26 -5.17 113.70 104.70 2dms s SER 5 Ca 0.00 0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.82 2dms s SER 5 Cb 0.00 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 2dms s SER 5 CO 0.00 -0.42 0.01 -0.44 0.41 0.00 0.00 173.24 172.81 2dms s SER 6 N -0.88 4.74 -0.21 2.44 0.01 -1.26 -5.12 113.70 113.42 2dms s SER 6 Ca -0.09 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2dms s SER 6 Cb -0.03 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 2dms s SER 6 CO 0.05 0.05 -0.02 -0.83 0.41 0.00 0.00 173.24 172.89 2dms s GLY 7 N -3.28 1.66 -0.14 3.44 0.00 -1.26 -5.08 107.32 102.66 2dms s GLY 7 Ca 0.29 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 2dms s GLY 7 CO 0.19 0.31 -0.05 0.50 0.00 0.00 0.00 173.10 174.06 2dms s ARG 8 N 1.22 1.32 1.09 2.90 0.52 -1.26 -5.13 118.95 119.61 2dms s ARG 8 Ca 0.03 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 2dms s ARG 8 Cb -0.14 -1.77 0.20 0.00 0.52 0.00 0.00 34.95 33.76 2dms s ARG 8 CO -0.00 -0.38 0.78 0.54 0.02 0.00 0.00 175.30 176.26 2dms n ARG 9 N 4.94 -1.66 -0.12 3.54 5.12 -1.26 -4.99 116.66 122.23 2dms n ARG 9 Ca -0.11 -0.45 -0.23 0.00 -1.93 0.00 0.00 57.85 55.13 2dms n ARG 9 Cb 0.49 -2.09 -0.11 0.00 -1.16 0.00 0.00 32.46 29.59 2dms n ARG 9 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dms n GLU 10 N -3.90 0.63 -2.74 5.56 1.02 -1.26 -5.03 120.64 114.92 2dms n GLU 10 Ca 0.05 0.23 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2dms n GLU 10 Cb 0.55 -1.53 0.03 0.00 -0.02 0.00 0.00 31.44 30.47 2dms n GLU 10 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2dms n ARG 11 N -3.74 -2.76 -4.27 3.49 3.00 -1.26 -5.06 116.66 106.06 2dms n ARG 11 Ca -0.48 0.31 -0.21 0.00 -0.00 0.00 0.00 57.85 57.47 2dms n ARG 11 Cb 0.94 -3.76 -0.12 0.00 0.00 0.00 0.00 32.46 29.51 2dms n ARG 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2dms s THR 12 N -3.13 1.58 -0.29 5.15 -1.32 -1.26 -5.03 115.64 111.35 2dms s THR 12 Ca 0.12 -1.64 -0.00 0.00 -1.21 0.00 0.00 61.69 58.96 2dms s THR 12 Cb -0.05 -1.55 0.25 0.00 -1.51 0.00 0.00 72.50 69.63 2dms s THR 12 CO 0.27 -0.22 1.83 0.41 -2.21 0.00 0.00 174.62 174.71 2dms n THR 13 N 0.81 2.55 -3.81 5.08 -1.04 -1.26 -4.75 114.28 111.86 2dms n THR 13 Ca -0.17 -1.42 -0.30 0.00 -2.04 0.00 0.00 64.05 60.12 2dms n THR 13 Cb 0.55 -1.15 -0.15 0.00 -1.82 0.00 0.00 70.33 67.76 2dms n THR 13 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2dms s PHE 14 N -1.75 1.95 0.61 -1.42 0.08 -1.26 -5.07 117.98 111.12 2dms s PHE 14 Ca 0.30 -1.69 -0.07 0.00 0.12 0.00 0.00 56.93 55.60 2dms s PHE 14 Cb 0.24 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 2dms s PHE 14 CO 0.01 -0.80 0.94 -0.08 -0.10 0.00 0.00 175.22 175.19 2dms s THR 15 N 1.54 3.56 0.30 0.64 -1.32 -1.26 -4.81 115.64 114.28 2dms s THR 15 Ca 0.04 0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2dms s THR 15 Cb -0.18 -3.43 0.29 0.00 -1.51 0.00 0.00 72.50 67.67 2dms s THR 15 CO -0.15 -0.47 1.71 -0.09 -2.21 0.00 0.00 174.62 173.42 2dms h ARG 16 N -0.27 0.47 0.14 7.08 9.65 -2.00 0.25 114.38 129.70 2dms h ARG 16 Ca -0.45 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2dms h ARG 16 Cb 1.26 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2dms h ARG 16 CO 0.61 0.31 -0.07 0.00 2.80 0.00 0.00 179.97 183.63 2dms h ALA 17 N 1.70 -0.18 -0.39 2.80 0.00 -1.99 -0.03 119.26 121.15 2dms h ALA 17 Ca 0.57 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.36 2dms h ALA 17 Cb 1.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2dms h ALA 17 CO -0.49 -0.43 0.27 1.96 0.00 0.00 0.00 179.25 180.55 2dms h GLN 18 N -0.53 0.32 0.06 0.00 4.20 -1.54 -2.71 115.11 114.91 2dms h GLN 18 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dms h GLN 18 Cb 0.41 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dms h GLN 18 CO 0.03 0.21 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.31 2dms h LEU 19 N 0.33 -0.07 -1.84 1.46 3.38 -0.44 -2.25 115.31 115.88 2dms h LEU 19 Ca 0.17 -0.57 0.46 0.00 0.09 0.00 0.00 57.88 58.02 2dms h LEU 19 Cb 0.25 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2dms h LEU 19 CO -0.04 0.61 1.09 -0.78 0.09 0.00 0.00 178.44 179.41 2dms h ASP 20 N -0.81 0.07 0.00 -0.43 3.58 -0.68 -0.91 116.42 117.24 2dms h ASP 20 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2dms h ASP 20 Cb 0.64 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2dms h ASP 20 CO 0.01 -0.03 -0.21 0.58 -2.88 0.00 0.00 179.24 176.71 2dms h VAL 21 N 0.04 0.00 -0.91 2.25 2.07 -1.53 -3.02 116.25 115.15 2dms h VAL 21 Ca 0.78 -0.82 0.18 0.00 0.82 0.00 0.00 66.70 67.66 2dms h VAL 21 Cb 2.95 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 32.55 2dms h VAL 21 CO -0.11 0.00 -0.24 0.18 0.02 0.00 0.00 177.57 177.42 2dms n LEU 22 N -4.22 -0.36 0.05 2.57 4.77 -0.67 0.02 117.00 119.16 2dms n LEU 22 Ca -0.03 1.56 -0.13 0.00 -0.03 0.00 0.00 56.01 57.38 2dms n LEU 22 Cb 0.11 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2dms n LEU 22 CO 0.04 -1.49 0.69 -0.33 -1.33 0.00 0.00 177.39 174.98 2dms h GLU 23 N 0.00 -0.11 -0.96 3.23 5.08 -1.39 -1.77 114.58 118.66 2dms h GLU 23 Ca 0.42 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 59.09 2dms h GLU 23 Cb 0.65 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.76 2dms h GLU 23 CO -0.93 0.17 0.35 0.00 -1.00 0.00 0.00 179.01 177.61 2dms h ALA 24 N 0.49 1.64 0.01 3.43 0.00 -0.27 1.13 119.26 125.68 2dms h ALA 24 Ca -0.01 0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 2dms h ALA 24 Cb 0.34 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dms h ALA 24 CO 0.02 -0.62 -0.91 1.25 0.00 0.00 0.00 179.25 178.99 2dms h LEU 25 N 0.16 0.05 -0.40 0.00 5.85 -1.11 -3.11 115.31 116.75 2dms h LEU 25 Ca 0.68 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 2dms h LEU 25 Cb 1.54 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 2dms h LEU 25 CO -0.72 0.93 -0.09 0.15 -0.34 0.00 0.00 178.44 178.37 2dms h PHE 26 N 0.02 0.00 0.00 1.25 3.57 0.18 -1.45 116.94 120.50 2dms h PHE 26 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2dms h PHE 26 Cb 1.59 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.33 2dms h PHE 26 CO 0.01 0.09 -0.35 0.00 -2.23 0.00 0.00 178.31 175.82 2dms h ALA 27 N 1.91 0.83 0.04 2.41 0.00 0.62 -3.32 119.26 121.76 2dms h ALA 27 Ca -0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 2dms h ALA 27 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2dms h ALA 27 CO 0.01 0.03 -2.22 0.36 0.00 0.00 0.00 179.25 177.43 2dms n LYS 28 N -2.97 0.67 -3.49 0.00 2.85 -1.16 -4.90 118.16 109.16 2dms n LYS 28 Ca 0.02 0.25 -0.21 0.00 -1.05 0.00 0.00 58.31 57.32 2dms n LYS 28 Cb 0.55 -1.60 -0.13 0.00 -0.65 0.00 0.00 35.03 33.20 2dms n LYS 28 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2dms s THR 29 N -2.51 -0.26 0.40 0.58 -1.32 -0.56 -5.01 115.64 106.96 2dms s THR 29 Ca -0.31 -0.37 0.09 0.00 -1.21 0.00 0.00 61.69 59.89 2dms s THR 29 Cb 0.09 -0.82 0.30 0.00 -1.51 0.00 0.00 72.50 70.56 2dms s THR 29 CO 0.63 -0.40 1.99 0.03 -2.21 0.00 0.00 174.62 174.65 2dms h ARG 30 N 8.33 0.56 -3.20 7.08 3.08 -1.79 -3.25 114.38 125.19 2dms h ARG 30 Ca -0.16 -0.03 -0.66 0.00 0.07 0.00 0.00 59.98 59.19 2dms h ARG 30 Cb 1.10 -0.13 -0.39 0.00 0.08 0.00 0.00 29.97 30.64 2dms h ARG 30 CO 0.33 0.37 -0.35 0.71 -1.07 0.00 0.00 179.97 179.96 2dms s TYR 31 N -5.52 3.72 0.83 3.04 1.51 -1.26 -4.99 117.35 114.67 2dms s TYR 31 Ca -0.09 -3.19 -0.11 0.00 -1.01 0.00 0.00 57.07 52.67 2dms s TYR 31 Cb 0.19 -2.97 0.09 0.00 -0.11 0.00 0.00 41.96 39.16 2dms s TYR 31 CO 0.75 -0.64 1.09 -1.25 -1.11 0.00 0.00 175.55 174.39 2dms s PRO 32 N -1.37 1.79 0.56 -1.71 0.04 -1.23 -5.07 135.00 128.02 2dms s PRO 32 Ca 0.26 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.37 2dms s PRO 32 Cb -0.06 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.69 2dms s PRO 32 CO -0.14 -1.92 0.77 -0.51 0.04 0.00 0.00 177.00 175.24 2dms s ASP 33 N -3.41 5.12 0.32 6.66 1.11 -1.26 -4.88 116.67 120.33 2dms s ASP 33 Ca 0.62 -0.60 0.06 0.00 0.18 0.00 0.00 52.55 52.82 2dms s ASP 33 Cb -0.17 -0.07 0.73 0.00 1.07 0.00 0.00 42.92 44.48 2dms s ASP 33 CO 0.56 -1.28 1.82 -0.29 1.18 0.00 0.00 175.17 177.17 2dms h ILE 34 N 0.16 0.79 0.07 0.77 6.09 -1.99 -0.82 117.51 122.59 2dms h ILE 34 Ca -0.34 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 2dms h ILE 34 Cb 1.28 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2dms h ILE 34 CO 0.43 0.14 -0.03 -0.26 -3.07 0.00 0.00 178.15 175.36 2dms h PHE 35 N 0.79 -0.09 0.21 2.19 0.04 -1.99 -1.34 116.94 116.76 2dms h PHE 35 Ca 0.52 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 2dms h PHE 35 Cb 0.77 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 2dms h PHE 35 CO -0.00 0.05 -0.17 0.52 -0.60 0.00 0.00 178.31 178.10 2dms h MET 36 N -0.20 -0.38 -0.82 1.51 2.86 -1.69 -1.09 114.93 115.12 2dms h MET 36 Ca -0.01 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 2dms h MET 36 Cb 0.17 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 2dms h MET 36 CO 0.02 -0.25 0.43 0.00 1.06 0.00 0.00 176.91 178.16 2dms h ARG 37 N -0.40 0.62 0.10 1.72 3.08 -1.16 -1.91 114.38 116.43 2dms h ARG 37 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dms h ARG 37 Cb 0.36 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2dms h ARG 37 CO -0.02 0.41 -0.05 0.93 -1.07 0.00 0.00 179.97 180.18 2dms h GLU 38 N 0.64 -0.13 -0.01 0.04 5.08 -0.84 -1.16 114.58 118.20 2dms h GLU 38 Ca 0.44 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2dms h GLU 38 Cb 0.57 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2dms h GLU 38 CO -0.33 0.01 -0.25 0.93 -1.00 0.00 0.00 179.01 178.37 2dms h GLU 39 N -0.24 -0.29 0.10 2.33 4.39 -0.45 0.51 114.58 120.93 2dms h GLU 39 Ca -0.01 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dms h GLU 39 Cb 0.19 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2dms h GLU 39 CO 0.02 -0.19 -0.50 0.28 -1.16 0.00 0.00 179.01 177.45 2dms h VAL 40 N -0.30 0.00 -0.57 3.13 2.07 -1.45 0.49 116.25 119.62 2dms h VAL 40 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.69 2dms h VAL 40 Cb 0.33 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2dms h VAL 40 CO -0.17 0.00 0.74 0.00 0.02 0.00 0.00 177.57 178.16 2dms h ALA 41 N -0.58 2.33 0.00 1.67 0.00 -1.06 1.30 119.26 122.92 2dms h ALA 41 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2dms h ALA 41 Cb 0.71 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2dms h ALA 41 CO -0.28 -1.03 -1.58 1.28 0.00 0.00 0.00 179.25 177.64 2dms n LEU 42 N -3.39 0.52 -0.04 0.00 4.77 0.32 -1.25 117.00 117.95 2dms n LEU 42 Ca 0.12 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 2dms n LEU 42 Cb 0.94 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 42.09 2dms n LEU 42 CO 0.23 0.06 -0.10 0.50 -1.33 0.00 0.00 177.39 176.75 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.61 -3.34 116.57 120.71 2dms h LYS 43 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2dms h LYS 43 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2dms h LYS 43 CO 0.02 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.64 2dms n ILE 44 N -3.64 1.58 -2.91 2.00 -5.35 0.46 -4.81 119.36 106.68 2dms n ILE 44 Ca -0.02 0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 62.75 2dms n ILE 44 Cb 0.07 -1.36 0.04 0.00 -1.74 0.00 0.00 39.64 36.66 2dms n ILE 44 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2dms n ASN 45 N -1.43 -3.15 -4.25 7.28 5.15 -1.24 -4.79 115.26 112.84 2dms n ASN 45 Ca 0.01 -0.30 -0.18 0.00 -0.60 0.00 0.00 54.58 53.51 2dms n ASN 45 Cb 0.02 -2.89 -0.11 0.00 -0.53 0.00 0.00 39.78 36.27 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dms s LEU 46 N -4.28 2.41 0.16 1.20 1.43 -0.38 -5.02 118.68 114.19 2dms s LEU 46 Ca 0.15 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.12 2dms s LEU 46 Cb -0.07 -0.55 -0.08 0.00 0.03 0.00 0.00 46.19 45.52 2dms s LEU 46 CO 0.38 -0.15 1.33 -2.16 0.23 0.00 0.00 176.35 175.98 2dms s PRO 47 N -2.74 4.37 0.50 1.29 0.04 -1.26 -4.26 135.00 132.94 2dms s PRO 47 Ca 0.10 2.04 0.40 0.00 0.04 0.00 0.00 61.00 63.58 2dms s PRO 47 Cb -0.04 -3.23 1.59 0.00 0.04 0.00 0.00 34.50 32.86 2dms s PRO 47 CO 0.03 -0.32 1.62 1.49 0.04 0.00 0.00 177.00 179.85 2dms h GLU 48 N 6.04 0.03 0.20 4.56 4.22 -1.88 0.46 114.58 128.21 2dms h GLU 48 Ca -0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.99 2dms h GLU 48 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dms h GLU 48 CO 0.81 0.02 -0.09 0.77 -2.18 0.00 0.00 179.01 178.34 2dms h SER 49 N 0.03 -0.22 -0.93 1.04 0.02 -1.97 -1.87 113.55 109.65 2dms h SER 49 Ca 0.85 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.82 2dms h SER 49 Cb 3.10 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 65.64 2dms h SER 49 CO -0.19 -0.10 0.59 0.03 -1.14 0.00 0.00 176.83 176.01 2dms h ARG 50 N -0.33 1.05 0.20 3.45 2.47 -0.45 -2.38 114.38 118.40 2dms h ARG 50 Ca -0.03 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2dms h ARG 50 Cb 0.25 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2dms h ARG 50 CO 0.04 0.70 -0.14 0.28 0.56 0.00 0.00 179.97 181.41 2dms h VAL 51 N 1.09 0.70 0.19 2.04 2.07 -1.23 -1.73 116.25 119.37 2dms h VAL 51 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 2dms h VAL 51 Cb 0.14 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2dms h VAL 51 CO -0.16 0.00 -0.39 -0.61 0.02 0.00 0.00 177.57 176.43 2dms h GLN 52 N -0.34 -0.60 -0.67 1.57 4.15 -0.98 -2.67 115.11 115.58 2dms h GLN 52 Ca -0.01 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.57 2dms h GLN 52 Cb 0.30 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 28.00 2dms h GLN 52 CO 0.01 -0.40 -0.28 0.28 -1.93 0.00 0.00 178.83 176.51 2dms h VAL 53 N -0.62 0.20 -1.00 2.39 2.07 -1.43 0.24 116.25 118.10 2dms h VAL 53 Ca -0.02 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.90 2dms h VAL 53 Cb 0.59 0.20 -0.18 0.00 -1.52 0.00 0.00 31.29 30.38 2dms h VAL 53 CO -0.16 0.00 0.51 -0.25 0.02 0.00 0.00 177.57 177.69 2dms h TRP 54 N -0.09 0.78 0.01 1.57 7.01 -0.96 1.98 115.95 126.24 2dms h TRP 54 Ca 0.28 0.04 -0.19 0.00 2.11 0.00 0.00 58.89 61.13 2dms h TRP 54 Cb 0.55 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2dms h TRP 54 CO -0.63 -0.45 -0.92 0.74 -2.79 0.00 0.00 178.44 174.39 2dms h PHE 55 N 0.03 0.05 0.00 2.65 -1.00 -0.41 -2.83 116.94 115.42 2dms h PHE 55 Ca 0.82 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 61.47 2dms h PHE 55 Cb 2.13 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.67 2dms h PHE 55 CO -0.04 0.93 -0.50 -0.22 -1.61 0.00 0.00 178.31 176.86 2dms h LYS 56 N 0.01 0.00 0.08 1.51 3.64 0.36 -1.00 116.57 121.17 2dms h LYS 56 Ca -0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 2dms h LYS 56 Cb 1.61 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.44 2dms h LYS 56 CO 0.12 0.50 -0.62 -0.91 -2.27 0.00 0.00 179.45 176.28 2dms h ASN 57 N 0.00 0.41 0.07 4.20 2.35 -0.43 -2.89 115.58 119.30 2dms h ASN 57 Ca -0.01 -0.89 -0.00 0.00 -0.55 0.00 0.00 56.30 54.85 2dms h ASN 57 Cb 1.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2dms h ASN 57 CO 0.07 1.26 -0.03 0.03 -1.65 0.00 0.00 177.43 177.11 2dms h ARG 58 N -0.38 -0.09 0.01 0.81 2.47 -1.53 -3.22 114.38 112.46 2dms h ARG 58 Ca -0.10 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2dms h ARG 58 Cb 1.43 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.72 2dms h ARG 58 CO 0.12 0.35 -0.33 0.00 0.56 0.00 0.00 179.97 180.67 2dms h ARG 59 N -0.56 -0.47 -0.96 0.04 3.08 -1.33 -2.53 114.38 111.65 2dms h ARG 59 Ca -0.01 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2dms h ARG 59 Cb 0.48 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.49 2dms h ARG 59 CO 0.02 -0.31 -0.41 0.00 -1.07 0.00 0.00 179.97 178.19 2dms n ALA 60 N -2.77 -0.22 -0.11 0.04 0.00 -1.09 -0.08 120.51 116.28 2dms n ALA 60 Ca -0.05 0.92 -0.06 0.00 0.00 0.00 0.00 53.44 54.25 2dms n ALA 60 Cb 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2dms n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dms h LYS 61 N 0.00 -0.17 -0.63 0.00 3.64 -1.46 -0.89 116.57 117.06 2dms h LYS 61 Ca 0.29 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 2dms h LYS 61 Cb 0.53 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2dms h LYS 61 CO -0.94 -0.11 0.21 0.00 -2.27 0.00 0.00 179.45 176.34 2dms h ARG 63 N 0.37 0.31 0.28 0.00 1.12 0.09 -2.29 114.38 114.25 2dms h ARG 63 Ca 0.33 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.18 2dms h ARG 63 Cb 0.44 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 2dms h ARG 63 CO -0.35 0.21 -0.36 0.37 -3.11 0.00 0.00 179.97 176.73 2dms h GLN 64 N 0.32 -0.67 -7.50 0.20 5.75 -0.79 -3.43 115.11 109.00 2dms h GLN 64 Ca 0.35 0.05 -0.46 0.00 -0.15 0.00 0.00 58.65 58.44 2dms h GLN 64 Cb 0.53 0.15 0.13 0.00 1.07 0.00 0.00 27.48 29.36 2dms h GLN 64 CO -0.41 -0.44 0.31 1.14 -2.65 0.00 0.00 178.83 176.78 2dms s GLN 65 N -5.99 1.25 -0.02 1.69 -2.07 -0.86 -5.08 119.66 108.59 2dms s GLN 65 Ca -0.17 0.28 0.06 0.00 -1.82 0.00 0.00 55.36 53.72 2dms s GLN 65 Cb 0.06 -1.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.12 2dms s GLN 65 CO 0.63 -2.12 -0.21 -1.14 -1.32 0.00 0.00 175.29 171.13 2dms s GLN 66 N -5.31 1.78 -0.04 9.60 0.74 -1.26 -4.89 119.66 120.28 2dms s GLN 66 Ca 0.64 -0.77 -0.05 0.00 0.05 0.00 0.00 55.36 55.23 2dms s GLN 66 Cb -0.14 -1.70 -0.03 0.00 1.10 0.00 0.00 33.01 32.24 2dms s GLN 66 CO 0.53 0.45 -0.11 0.94 -0.55 0.00 0.00 175.29 176.54 2dms n GLN 67 N 2.59 0.18 -4.20 1.67 0.00 -1.26 -5.07 117.38 111.29 2dms n GLN 67 Ca -0.16 0.08 -0.16 0.00 -0.00 0.00 0.00 57.00 56.76 2dms n GLN 67 Cb 0.53 -0.81 -0.13 0.00 0.00 0.00 0.00 30.24 29.82 2dms n GLN 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2dms s GLN 68 N -2.24 0.61 -0.55 3.69 -0.21 -1.26 -5.10 119.66 114.61 2dms s GLN 68 Ca -0.11 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.48 2dms s GLN 68 Cb 0.03 -0.53 0.01 0.00 1.00 0.00 0.00 33.01 33.52 2dms s GLN 68 CO 0.15 0.13 1.50 1.14 -2.12 0.00 0.00 175.29 176.09 2dms s GLN 69 N -0.84 3.22 -0.00 2.91 -2.07 -1.26 -4.97 119.66 116.65 2dms s GLN 69 Ca -0.02 0.55 -0.04 0.00 -1.82 0.00 0.00 55.36 54.03 2dms s GLN 69 Cb -0.06 -4.16 -0.00 0.00 -1.09 0.00 0.00 33.01 27.69 2dms s GLN 69 CO 0.00 -2.03 0.07 -1.14 -1.32 0.00 0.00 175.29 170.88 2dms s GLN 70 N 5.71 0.31 0.18 9.60 0.74 -1.26 -5.17 119.66 129.76 2dms s GLN 70 Ca 0.56 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.63 2dms s GLN 70 Cb -0.12 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 2dms s GLN 70 CO 0.25 -0.06 0.20 1.21 -0.55 0.00 0.00 175.29 176.34 2dms s ASN 71 N -0.94 0.13 0.00 6.67 2.47 -1.26 -5.17 114.94 116.84 2dms s ASN 71 Ca -0.10 -1.11 0.00 0.00 0.42 0.00 0.00 52.86 52.06 2dms s ASN 71 Cb -0.06 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2dms s ASN 71 CO 0.00 -0.87 0.00 0.61 -3.72 0.00 0.00 177.10 173.13 2dms n GLY 72 N -0.22 3.70 3.63 1.21 0.00 -1.26 -5.19 105.19 107.05 2dms n GLY 72 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 2dms n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dms s GLY 73 N 0.00 -0.35 -0.12 -0.02 0.00 -1.26 -5.16 107.32 100.41 2dms s GLY 73 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.52 2dms s GLY 73 CO 0.00 0.23 0.03 1.62 0.00 0.00 0.00 173.10 174.98 2dms s GLN 74 N -2.74 3.35 0.21 2.90 2.00 -1.26 -5.11 119.66 119.02 2dms s GLN 74 Ca 0.11 -0.37 -0.00 0.00 -2.00 0.00 0.00 55.36 53.10 2dms s GLN 74 Cb 0.01 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.83 2dms s GLN 74 CO -0.03 0.56 0.14 -1.54 -0.50 0.00 0.00 175.29 173.92 2dms s SER 75 N -0.47 0.33 -0.38 6.67 1.04 -1.26 -5.13 113.70 114.49 2dms s SER 75 Ca 0.09 -1.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 2dms s SER 75 Cb -0.12 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.58 2dms s SER 75 CO 0.02 -0.85 0.96 -0.83 0.98 0.00 0.00 173.24 173.52 2dms s GLY 76 N -3.19 -1.62 1.17 7.32 0.00 -1.26 -5.17 107.32 104.57 2dms s GLY 76 Ca 0.39 0.50 -0.20 0.00 0.00 0.00 0.00 44.72 45.41 2dms s GLY 76 CO 0.13 4.10 1.04 -1.55 0.00 0.00 0.00 173.10 176.83 2dms n PRO 77 N 3.12 -3.05 -4.27 2.90 -0.04 -1.26 -5.09 135.00 127.31 2dms n PRO 77 Ca 0.11 -1.67 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 2dms n PRO 77 Cb 0.62 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2dms n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dms n SER 78 N -4.79 3.10 0.01 3.54 7.64 -1.26 -5.10 113.62 116.76 2dms n SER 78 Ca 0.14 -3.05 -0.02 0.00 1.01 0.00 0.00 58.87 56.95 2dms n SER 78 Cb 0.56 0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 2dms n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dms n SER 79 N -1.54 1.30 0.00 6.43 3.41 -1.26 -5.36 113.62 116.59 2dms n SER 79 Ca -0.12 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dms n SER 79 Cb 0.63 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49