#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 6.53 -0.42 1.61 1.04 -1.26 -5.03 113.70 116.18 2dms s SER 2 Ca 0.00 -2.42 -0.29 0.00 0.48 0.00 0.00 55.95 53.72 2dms s SER 2 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 2dms s SER 2 CO 0.00 -0.65 1.31 -0.44 0.98 0.00 0.00 173.24 174.43 2dms s SER 3 N 2.54 6.48 -0.94 7.02 0.01 -1.26 -4.96 113.70 122.60 2dms s SER 3 Ca 0.13 0.76 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 2dms s SER 3 Cb -0.16 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 63.76 2dms s SER 3 CO -0.05 -1.33 0.85 -0.83 0.41 0.00 0.00 173.24 172.30 2dms s GLY 4 N 3.29 3.06 -0.04 3.44 0.00 -1.26 -5.02 107.32 110.78 2dms s GLY 4 Ca 0.56 -3.77 0.04 0.00 0.00 0.00 0.00 44.72 41.56 2dms s GLY 4 CO 0.31 1.23 -0.17 -0.56 0.00 0.00 0.00 173.10 173.91 2dms s SER 5 N 0.51 2.19 -0.15 1.64 0.01 -1.26 -5.12 113.70 111.52 2dms s SER 5 Ca 0.27 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 2dms s SER 5 Cb -0.09 -0.62 0.07 0.00 0.21 0.00 0.00 66.02 65.59 2dms s SER 5 CO -0.10 0.15 0.24 -0.55 0.41 0.00 0.00 173.24 173.39 2dms s SER 6 N 0.05 0.71 0.17 2.44 0.15 -1.26 -5.13 113.70 110.83 2dms s SER 6 Ca -0.04 0.30 -0.33 0.00 0.70 0.00 0.00 55.95 56.58 2dms s SER 6 Cb -0.12 0.55 -0.13 0.00 -1.71 0.00 0.00 66.02 64.61 2dms s SER 6 CO 0.02 -0.27 1.62 0.61 1.20 0.00 0.00 173.24 176.43 2dms n GLY 7 N 5.34 1.23 3.37 9.45 0.00 -1.26 -4.98 105.19 118.34 2dms n GLY 7 Ca -0.06 0.65 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 2dms n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dms s ARG 8 N 1.04 1.49 0.16 1.61 0.52 -1.26 -5.06 118.95 117.45 2dms s ARG 8 Ca 0.78 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 2dms s ARG 8 Cb -0.64 0.36 -0.06 0.00 0.52 0.00 0.00 34.95 35.14 2dms s ARG 8 CO 0.37 -0.56 1.51 0.54 0.02 0.00 0.00 175.30 177.17 2dms n ARG 9 N -0.39 -0.43 -4.06 3.54 1.74 -1.26 -4.50 116.66 111.30 2dms n ARG 9 Ca 0.01 1.48 -0.16 0.00 -0.77 0.00 0.00 57.85 58.41 2dms n ARG 9 Cb 0.64 -2.17 -0.15 0.00 -1.02 0.00 0.00 32.46 29.75 2dms n ARG 9 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2dms s GLU 10 N -5.50 0.36 0.24 5.56 1.03 -1.26 -5.04 118.70 114.09 2dms s GLU 10 Ca -0.12 -0.09 -0.07 0.00 0.03 0.00 0.00 54.97 54.72 2dms s GLU 10 Cb 0.11 -0.40 0.23 0.00 -0.80 0.00 0.00 34.13 33.27 2dms s GLU 10 CO 0.61 0.02 1.90 0.00 -1.33 0.00 0.00 175.26 176.46 2dms h ARG 11 N 6.43 1.26 -5.37 -4.83 -0.00 -1.98 -3.41 114.38 106.48 2dms h ARG 11 Ca -0.32 -0.09 -0.68 0.00 -0.50 0.00 0.00 59.98 58.39 2dms h ARG 11 Cb 1.18 -0.27 -0.32 0.00 0.00 0.00 0.00 29.97 30.55 2dms h ARG 11 CO 0.50 0.85 -0.87 0.99 0.00 0.00 0.00 179.97 181.44 2dms s THR 12 N -6.05 2.18 -0.09 2.04 2.01 -1.26 -4.99 115.64 109.46 2dms s THR 12 Ca -0.13 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 60.97 2dms s THR 12 Cb 0.17 -1.84 -0.11 0.00 0.01 0.00 0.00 72.50 70.73 2dms s THR 12 CO 0.82 0.56 0.03 1.07 -0.69 0.00 0.00 174.62 176.40 2dms n THR 13 N 3.49 0.65 -2.59 -0.82 5.66 -1.26 -4.97 114.28 114.44 2dms n THR 13 Ca -0.19 -0.39 -0.43 0.00 -3.05 0.00 0.00 64.05 59.99 2dms n THR 13 Cb 0.53 -0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 68.53 2dms n THR 13 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2dms s PHE 14 N -2.23 3.29 0.57 1.09 0.40 -1.26 -5.03 117.98 114.81 2dms s PHE 14 Ca -0.05 1.39 -0.05 0.00 -0.60 0.00 0.00 56.93 57.62 2dms s PHE 14 Cb 0.03 -3.31 0.01 0.00 0.51 0.00 0.00 43.02 40.26 2dms s PHE 14 CO 0.38 -0.74 0.87 0.95 0.70 0.00 0.00 175.22 177.38 2dms s THR 15 N 2.66 3.75 0.28 0.64 -4.23 -1.26 -4.85 115.64 112.62 2dms s THR 15 Ca 0.49 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 2dms s THR 15 Cb -0.19 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.44 2dms s THR 15 CO 0.14 -0.47 1.73 0.03 -0.54 0.00 0.00 174.62 175.52 2dms h ARG 16 N -0.09 0.49 0.42 3.99 2.47 -1.98 0.11 114.38 119.80 2dms h ARG 16 Ca -0.45 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.21 2dms h ARG 16 Cb 1.25 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2dms h ARG 16 CO 0.60 0.33 -0.20 0.00 0.56 0.00 0.00 179.97 181.25 2dms h ALA 17 N 1.63 -0.57 -0.94 0.04 0.00 -1.99 0.84 119.26 118.28 2dms h ALA 17 Ca 0.51 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.39 2dms h ALA 17 Cb 0.85 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2dms h ALA 17 CO -0.45 -0.69 0.60 1.96 0.00 0.00 0.00 179.25 180.67 2dms h GLN 18 N -0.84 0.70 -0.03 0.00 4.20 -1.69 -1.97 115.11 115.49 2dms h GLN 18 Ca -0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2dms h GLN 18 Cb 0.55 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2dms h GLN 18 CO 0.10 0.47 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.58 2dms h LEU 19 N 0.72 0.11 -1.46 1.46 3.38 -0.71 -2.33 115.31 116.49 2dms h LEU 19 Ca 0.49 -0.59 0.43 0.00 0.09 0.00 0.00 57.88 58.29 2dms h LEU 19 Cb 0.77 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 2dms h LEU 19 CO -0.25 0.68 0.87 0.44 0.09 0.00 0.00 178.44 180.27 2dms h ASP 20 N -0.46 0.24 0.00 -0.43 3.32 -0.04 0.20 116.42 119.25 2dms h ASP 20 Ca -0.00 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2dms h ASP 20 Cb 0.66 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2dms h ASP 20 CO 0.01 -0.14 -0.37 0.58 -1.72 0.00 0.00 179.24 177.60 2dms h VAL 21 N 0.10 1.33 -0.54 -1.35 2.07 -1.48 -2.88 116.25 113.50 2dms h VAL 21 Ca 0.80 -2.13 0.11 0.00 0.82 0.00 0.00 66.70 66.30 2dms h VAL 21 Cb 2.55 2.64 -0.10 0.00 -1.52 0.00 0.00 31.29 34.87 2dms h VAL 21 CO -0.37 0.45 -0.06 -0.07 0.02 0.00 0.00 177.57 177.54 2dms h LEU 22 N -1.00 -0.37 -0.23 2.57 3.38 -0.35 -0.07 115.31 119.25 2dms h LEU 22 Ca -0.10 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2dms h LEU 22 Cb 0.98 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2dms h LEU 22 CO -0.06 -0.13 0.02 -0.33 0.09 0.00 0.00 178.44 178.03 2dms h GLU 23 N 0.06 0.39 -0.96 1.13 3.07 -0.88 -2.37 114.58 115.01 2dms h GLU 23 Ca 0.27 -0.11 0.16 0.00 -0.50 0.00 0.00 59.36 59.18 2dms h GLU 23 Cb 0.42 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.19 2dms h GLU 23 CO -0.51 0.55 0.57 0.00 -1.40 0.00 0.00 179.01 178.22 2dms h ALA 24 N 0.83 1.53 0.00 3.43 0.00 -1.07 0.42 119.26 124.40 2dms h ALA 24 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dms h ALA 24 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dms h ALA 24 CO 0.01 0.01 0.00 1.25 0.00 0.00 0.00 179.25 180.52 2dms h LEU 25 N 0.79 0.00 0.00 0.00 5.85 -0.88 -2.81 115.31 118.26 2dms h LEU 25 Ca 0.53 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 2dms h LEU 25 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2dms h LEU 25 CO -0.35 0.00 -0.69 0.15 -0.34 0.00 0.00 178.44 177.21 2dms h PHE 26 N 0.00 0.00 0.02 1.25 3.04 0.27 -2.41 116.94 119.11 2dms h PHE 26 Ca 0.00 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.68 2dms h PHE 26 Cb 0.72 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 2dms h PHE 26 CO 0.00 0.10 -1.45 0.00 -2.02 0.00 0.00 178.31 174.95 2dms h ALA 27 N 1.90 0.54 0.11 2.41 0.00 -0.83 -3.38 119.26 120.00 2dms h ALA 27 Ca -0.02 -1.22 -0.25 0.00 0.00 0.00 0.00 54.91 53.42 2dms h ALA 27 Cb 1.10 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dms h ALA 27 CO 0.01 1.39 -1.29 1.57 0.00 0.00 0.00 179.25 180.93 2dms h LYS 28 N 0.01 0.23 -3.37 0.00 2.10 -1.61 -3.46 116.57 110.47 2dms h LYS 28 Ca -0.19 -0.39 -0.32 0.00 -2.00 0.00 0.00 60.65 57.76 2dms h LYS 28 Cb 1.93 0.14 -0.36 0.00 -0.90 0.00 0.00 32.23 33.05 2dms h LYS 28 CO 0.11 1.18 -0.71 -0.08 -2.00 0.00 0.00 179.45 177.96 2dms s THR 29 N -2.46 -0.10 0.06 0.07 -1.32 -0.91 -5.02 115.64 105.97 2dms s THR 29 Ca -0.20 0.31 0.13 0.00 -1.21 0.00 0.00 61.69 60.72 2dms s THR 29 Cb 0.04 -0.15 -0.01 0.00 -1.51 0.00 0.00 72.50 70.87 2dms s THR 29 CO 0.76 0.13 1.49 0.03 -2.21 0.00 0.00 174.62 174.82 2dms h ARG 30 N 7.83 0.00 -2.76 7.08 2.47 -1.77 -3.35 114.38 123.87 2dms h ARG 30 Ca -0.30 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.82 2dms h ARG 30 Cb 1.12 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.04 2dms h ARG 30 CO 0.32 0.63 -0.76 0.71 0.56 0.00 0.00 179.97 181.43 2dms s TYR 31 N -3.14 2.38 0.73 3.04 2.02 -1.26 -5.02 117.35 116.10 2dms s TYR 31 Ca 0.01 -2.84 -0.12 0.00 -0.37 0.00 0.00 57.07 53.75 2dms s TYR 31 Cb 0.10 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 2dms s TYR 31 CO 0.75 -0.68 1.10 -1.25 -1.57 0.00 0.00 175.55 173.90 2dms s PRO 32 N -0.68 2.46 0.49 -1.71 0.04 -1.26 -5.07 135.00 129.27 2dms s PRO 32 Ca 0.28 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 2dms s PRO 32 Cb -0.02 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2dms s PRO 32 CO -0.17 -1.50 0.67 -3.47 0.04 0.00 0.00 177.00 172.57 2dms n ASP 33 N -3.10 0.86 0.20 6.66 2.03 -1.26 -4.86 116.55 117.08 2dms n ASP 33 Ca 0.10 -1.73 0.04 0.00 0.52 0.00 0.00 54.79 53.71 2dms n ASP 33 Cb 0.53 -0.44 0.45 0.00 -0.72 0.00 0.00 41.12 40.94 2dms n ASP 33 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2dms h ILE 34 N -0.57 1.17 -0.07 5.18 6.09 -1.99 -1.87 117.51 125.46 2dms h ILE 34 Ca -0.22 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 62.44 2dms h ILE 34 Cb 0.80 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 2dms h ILE 34 CO 0.23 0.23 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.28 2dms h PHE 35 N 0.03 0.13 0.49 2.19 0.04 -1.99 -1.55 116.94 116.28 2dms h PHE 35 Ca 0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2dms h PHE 35 Cb 0.42 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2dms h PHE 35 CO 0.00 0.41 -0.24 0.52 -0.60 0.00 0.00 178.31 178.40 2dms h MET 36 N -0.18 -0.64 -0.88 1.51 2.86 -1.89 -2.21 114.93 113.50 2dms h MET 36 Ca 0.02 0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.88 2dms h MET 36 Cb 0.36 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 2dms h MET 36 CO 0.00 -0.34 0.44 0.00 1.06 0.00 0.00 176.91 178.08 2dms h ARG 37 N -0.88 0.55 0.37 1.72 3.08 -1.42 -1.59 114.38 116.22 2dms h ARG 37 Ca -0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2dms h ARG 37 Cb 0.59 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2dms h ARG 37 CO 0.11 0.36 -0.18 0.93 -1.07 0.00 0.00 179.97 180.12 2dms h GLU 38 N 0.57 -0.49 -0.04 0.04 5.08 -1.18 -0.90 114.58 117.65 2dms h GLU 38 Ca 0.51 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.92 2dms h GLU 38 Cb 0.81 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2dms h GLU 38 CO -0.42 -0.32 -0.33 1.49 -1.00 0.00 0.00 179.01 178.43 2dms h GLU 39 N -0.50 -0.37 -0.01 2.33 4.81 -0.66 0.10 114.58 120.27 2dms h GLU 39 Ca -0.05 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2dms h GLU 39 Cb 0.39 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2dms h GLU 39 CO 0.08 -0.25 -0.54 0.28 -0.73 0.00 0.00 179.01 177.85 2dms h VAL 40 N -0.38 0.00 -0.85 0.32 2.07 -1.42 0.57 116.25 116.56 2dms h VAL 40 Ca 0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.78 2dms h VAL 40 Cb 0.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2dms h VAL 40 CO -0.24 0.00 0.78 0.00 0.02 0.00 0.00 177.57 178.13 2dms h ALA 41 N -0.40 2.69 0.00 1.67 0.00 -0.94 1.19 119.26 123.47 2dms h ALA 41 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2dms h ALA 41 Cb 0.72 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dms h ALA 41 CO -0.37 -1.22 -1.33 1.28 0.00 0.00 0.00 179.25 177.61 2dms n LEU 42 N -3.76 0.70 -0.03 0.00 4.77 0.50 -0.70 117.00 118.47 2dms n LEU 42 Ca 0.18 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 2dms n LEU 42 Cb 1.07 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2dms n LEU 42 CO 0.31 -0.03 -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 0.63 -3.35 116.57 120.72 2dms h LYS 43 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2dms h LYS 43 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 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 -3.48 1.68 -2.50 2.00 -5.35 0.65 -4.82 119.36 107.54 2dms n ILE 44 Ca -0.02 0.55 -0.06 0.00 -0.27 0.00 0.00 62.75 62.96 2dms n ILE 44 Cb 0.07 -1.54 0.03 0.00 -1.74 0.00 0.00 39.64 36.46 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 -1.72 -2.11 -4.17 7.28 5.15 -1.23 -4.80 115.26 113.65 2dms n ASN 45 Ca -0.00 -0.20 -0.14 0.00 -0.60 0.00 0.00 54.58 53.64 2dms n ASN 45 Cb 0.02 -2.02 -0.11 0.00 -0.53 0.00 0.00 39.78 37.14 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 -3.41 2.42 0.06 1.20 1.43 0.12 -5.03 118.68 115.48 2dms s LEU 46 Ca 0.01 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 2dms s LEU 46 Cb -0.01 -0.27 -0.07 0.00 0.03 0.00 0.00 46.19 45.88 2dms s LEU 46 CO 0.24 -0.29 1.40 -2.16 0.23 0.00 0.00 176.35 175.77 2dms s PRO 47 N -2.94 4.30 0.54 1.29 0.04 -1.26 -4.24 135.00 132.73 2dms s PRO 47 Ca 0.06 2.03 0.47 0.00 0.04 0.00 0.00 61.00 63.60 2dms s PRO 47 Cb -0.02 -3.41 1.70 0.00 0.04 0.00 0.00 34.50 32.81 2dms s PRO 47 CO -0.01 -0.50 1.58 1.49 0.04 0.00 0.00 177.00 179.60 2dms h GLU 48 N 7.33 0.00 0.15 4.56 4.81 -1.88 0.63 114.58 130.18 2dms h GLU 48 Ca -0.40 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2dms h GLU 48 Cb 1.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2dms h GLU 48 CO 0.88 0.00 -0.07 0.77 -0.73 0.00 0.00 179.01 179.86 2dms h SER 49 N 0.00 -0.18 -0.82 1.04 0.02 -1.97 -2.41 113.55 109.23 2dms h SER 49 Ca 0.92 -0.19 0.14 0.00 -0.84 0.00 0.00 61.79 61.83 2dms h SER 49 Cb 3.59 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 66.08 2dms h SER 49 CO -0.09 0.09 0.41 0.03 -1.14 0.00 0.00 176.83 176.13 2dms h ARG 50 N -0.45 0.58 0.56 3.45 2.47 -0.10 -1.32 114.38 119.57 2dms h ARG 50 Ca -0.02 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2dms h ARG 50 Cb 0.35 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2dms h ARG 50 CO 0.03 0.38 -0.28 0.28 0.56 0.00 0.00 179.97 180.95 2dms h VAL 51 N 0.59 0.43 -0.38 2.04 2.07 -1.40 -0.36 116.25 119.24 2dms h VAL 51 Ca 0.44 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.04 2dms h VAL 51 Cb 0.62 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 2dms h VAL 51 CO -0.36 0.00 -0.15 -0.61 0.02 0.00 0.00 177.57 176.47 2dms h GLN 52 N -0.77 -0.07 0.72 1.57 4.15 -0.90 -2.51 115.11 117.30 2dms h GLN 52 Ca -0.07 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2dms h GLN 52 Cb 0.60 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2dms h GLN 52 CO 0.12 -0.05 -0.49 0.28 -1.93 0.00 0.00 178.83 176.76 2dms h VAL 53 N -0.07 0.03 -0.93 2.39 2.07 -1.15 -2.33 116.25 116.26 2dms h VAL 53 Ca 0.19 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.09 2dms h VAL 53 Cb 0.36 0.03 -0.17 0.00 -1.52 0.00 0.00 31.29 29.99 2dms h VAL 53 CO -0.43 0.00 0.48 1.87 0.02 0.00 0.00 177.57 179.51 2dms n TRP 54 N -5.61 1.07 0.27 1.57 -0.00 -0.16 -0.13 117.44 114.46 2dms n TRP 54 Ca -0.14 1.09 -0.13 0.00 -0.00 0.00 0.00 57.50 58.32 2dms n TRP 54 Cb 0.49 -1.49 -0.07 0.00 -0.00 0.00 0.00 31.31 30.24 2dms n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dms h PHE 55 N 0.00 -0.68 -0.97 5.87 -1.00 -1.01 0.15 116.94 119.30 2dms h PHE 55 Ca 0.78 -0.02 0.20 0.00 2.81 0.00 0.00 57.97 61.74 2dms h PHE 55 Cb 2.05 0.23 -0.11 0.00 3.61 0.00 0.00 35.95 41.73 2dms h PHE 55 CO -0.02 -0.36 0.55 0.87 -1.61 0.00 0.00 178.31 177.74 2dms h LYS 56 N -1.09 0.64 0.11 1.51 1.57 -0.04 0.16 116.57 119.43 2dms h LYS 56 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2dms h LYS 56 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2dms h LYS 56 CO 0.12 0.42 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.46 2dms h ASN 57 N 0.66 -0.13 0.28 0.86 2.35 -0.89 -3.04 115.58 115.67 2dms h ASN 57 Ca 0.57 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2dms h ASN 57 Cb 0.95 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 2dms h ASN 57 CO -0.42 0.40 -0.31 0.03 -1.65 0.00 0.00 177.43 175.48 2dms h ARG 58 N -0.72 -0.57 -0.97 0.81 2.47 0.08 -2.89 114.38 112.59 2dms h ARG 58 Ca -0.02 0.04 0.13 0.00 -1.26 0.00 0.00 59.98 58.88 2dms h ARG 58 Cb 0.54 0.13 -0.15 0.00 -1.65 0.00 0.00 29.97 28.84 2dms h ARG 58 CO 0.03 -0.38 -0.43 -2.13 0.56 0.00 0.00 179.97 177.61 2dms n ARG 59 N -4.24 -0.28 -0.33 0.04 0.63 0.50 0.68 116.66 113.65 2dms n ARG 59 Ca -0.07 1.49 0.18 0.00 -0.92 0.00 0.00 57.85 58.53 2dms n ARG 59 Cb 0.28 -2.21 0.36 0.00 0.45 0.00 0.00 32.46 31.35 2dms n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dms h ALA 60 N 1.11 1.45 -0.77 5.13 0.00 -1.38 0.17 119.26 124.96 2dms h ALA 60 Ca 0.29 0.29 0.24 0.00 0.00 0.00 0.00 54.91 55.73 2dms h ALA 60 Cb 0.53 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2dms h ALA 60 CO -0.95 -0.64 0.12 1.17 0.00 0.00 0.00 179.25 178.95 2dms n LYS 61 N -5.36 -0.06 -0.28 0.00 0.00 0.21 0.45 118.16 113.12 2dms n LYS 61 Ca 0.26 1.14 0.09 0.00 0.00 0.00 0.00 58.31 59.80 2dms n LYS 61 Cb 0.87 -1.86 0.18 0.00 0.00 0.00 0.00 35.03 34.21 2dms n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dms h ARG 63 N 0.00 -0.41 -0.39 0.00 1.12 -0.21 -3.13 114.38 111.36 2dms h ARG 63 Ca 0.44 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 59.42 2dms h ARG 63 Cb 0.81 0.09 -0.08 0.00 -0.01 0.00 0.00 29.97 30.78 2dms h ARG 63 CO -0.79 -0.19 -0.13 0.37 -3.11 0.00 0.00 179.97 176.12 2dms h GLN 64 N -0.57 -0.05 -5.80 0.20 5.75 -0.00 -3.44 115.11 111.20 2dms h GLN 64 Ca -0.04 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.16 2dms h GLN 64 Cb 0.42 0.01 -0.15 0.00 1.07 0.00 0.00 27.48 28.83 2dms h GLN 64 CO 0.07 -0.03 -0.43 0.00 -2.65 0.00 0.00 178.83 175.79 2dms n GLN 65 N -5.33 -2.26 -0.32 1.69 10.64 0.21 -4.75 117.38 117.26 2dms n GLN 65 Ca 0.02 0.16 0.07 0.00 -1.83 0.00 0.00 57.00 55.42 2dms n GLN 65 Cb 0.24 -4.73 0.16 0.00 -0.86 0.00 0.00 30.24 25.05 2dms n GLN 65 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2dms n GLN 66 N -3.28 -0.08 -0.91 2.61 -0.06 -1.26 -4.52 117.38 109.88 2dms n GLN 66 Ca 0.03 1.39 -0.36 0.00 -2.00 0.00 0.00 57.00 56.07 2dms n GLN 66 Cb 0.50 -2.11 0.07 0.00 -4.06 0.00 0.00 30.24 24.64 2dms n GLN 66 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dms n GLN 67 N -5.44 -0.28 -1.64 3.69 10.64 -1.26 -4.73 117.38 118.36 2dms n GLN 67 Ca 0.16 -0.07 -0.49 0.00 -1.83 0.00 0.00 57.00 54.77 2dms n GLN 67 Cb 0.50 -1.28 -0.05 0.00 -0.86 0.00 0.00 30.24 28.55 2dms n GLN 67 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2dms n GLN 68 N 0.97 1.75 -2.13 2.61 6.02 -1.26 -4.91 117.38 120.42 2dms n GLN 68 Ca 0.00 0.63 -0.36 0.00 -0.01 0.00 0.00 57.00 57.26 2dms n GLN 68 Cb 0.61 -2.35 0.01 0.00 1.02 0.00 0.00 30.24 29.53 2dms n GLN 68 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2dms s GLN 69 N 0.88 3.35 -0.56 -1.09 -0.21 -1.26 -4.99 119.66 115.77 2dms s GLN 69 Ca 0.82 1.80 -0.11 0.00 0.02 0.00 0.00 55.36 57.88 2dms s GLN 69 Cb -0.79 -2.14 0.14 0.00 1.00 0.00 0.00 33.01 31.22 2dms s GLN 69 CO 0.42 -0.90 0.47 -0.65 -2.12 0.00 0.00 175.29 172.51 2dms s GLN 70 N -3.06 2.81 0.45 2.91 -0.21 -1.26 -5.06 119.66 116.24 2dms s GLN 70 Ca 0.71 -1.94 -0.20 0.00 0.02 0.00 0.00 55.36 53.95 2dms s GLN 70 Cb -0.29 -4.09 -0.15 0.00 1.00 0.00 0.00 33.01 29.47 2dms s GLN 70 CO 0.34 -1.25 0.03 -1.71 -2.12 0.00 0.00 175.29 170.58 2dms n ASN 71 N 4.71 -3.08 0.00 5.90 2.85 -1.26 -4.94 115.26 119.44 2dms n ASN 71 Ca -0.04 0.75 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 2dms n ASN 71 Cb 0.41 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.55 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dms n GLY 72 N 2.37 1.21 3.56 8.20 0.00 -1.26 -5.14 105.19 114.14 2dms n GLY 72 Ca 0.10 0.29 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 2dms n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dms n GLY 73 N 0.00 -0.78 3.53 -0.02 0.00 -1.26 -5.02 105.19 101.63 2dms n GLY 73 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 2dms n GLY 73 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dms s GLN 74 N -3.03 0.36 -0.17 1.61 -2.07 -1.26 -5.15 119.66 109.96 2dms s GLN 74 Ca 0.71 0.77 -0.01 0.00 -1.82 0.00 0.00 55.36 55.01 2dms s GLN 74 Cb -0.36 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 31.91 2dms s GLN 74 CO 0.52 -0.10 -0.01 -1.12 -1.32 0.00 0.00 175.29 173.26 2dms s SER 75 N 1.98 2.78 -0.48 12.60 0.01 -1.26 -5.05 113.70 124.29 2dms s SER 75 Ca -0.06 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 56.59 2dms s SER 75 Cb -0.05 -0.76 0.28 0.00 0.21 0.00 0.00 66.02 65.70 2dms s SER 75 CO -0.17 -0.23 0.67 0.61 0.41 0.00 0.00 173.24 174.53 2dms n GLY 76 N 4.96 3.87 0.20 3.44 0.00 -1.26 -4.91 105.19 111.48 2dms n GLY 76 Ca -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 2dms n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dms h PRO 77 N 3.73 0.30 -2.77 1.61 0.13 -2.09 -3.38 132.00 129.53 2dms h PRO 77 Ca 0.12 -0.16 -0.60 0.00 -0.87 0.00 0.00 66.00 64.49 2dms h PRO 77 Cb 0.79 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.53 2dms h PRO 77 CO 0.61 0.70 -0.79 0.45 -0.23 0.00 0.00 178.00 178.74 2dms s SER 78 N -6.88 3.13 0.14 1.44 0.15 -1.26 -5.10 113.70 105.32 2dms s SER 78 Ca -0.05 -2.97 -0.14 0.00 0.70 0.00 0.00 55.95 53.49 2dms s SER 78 Cb 0.13 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 2dms s SER 78 CO 0.79 -0.20 0.36 -0.55 1.20 0.00 0.00 173.24 174.83 2dms s SER 79 N -0.04 -0.12 0.00 5.45 0.15 -1.26 -5.26 113.70 112.62 2dms s SER 79 Ca 0.24 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dms s SER 79 Cb -0.11 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2dms s SER 79 CO -0.09 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.09