#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 1.58 0.04 1.61 0.15 -1.26 -5.08 113.70 110.74 2dms s SER 2 Ca 0.00 -1.60 -0.30 0.00 0.70 0.00 0.00 55.95 54.75 2dms s SER 2 Cb 0.00 0.44 -0.17 0.00 -1.71 0.00 0.00 66.02 64.57 2dms s SER 2 CO 0.00 -0.93 1.37 -1.28 1.20 0.00 0.00 173.24 173.61 2dms h SER 3 N 2.19 -0.78 -5.95 5.45 0.87 -2.12 -3.48 113.55 109.72 2dms h SER 3 Ca -0.32 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2dms h SER 3 Cb 1.25 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 2dms h SER 3 CO 0.49 -0.47 -0.66 0.61 -0.53 0.00 0.00 176.83 176.27 2dms n GLY 4 N -1.04 -1.22 3.54 5.77 0.00 -1.26 -4.82 105.19 106.16 2dms n GLY 4 Ca -0.13 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.59 6.38 -0.45 1.61 0.01 -1.26 -4.95 113.70 114.45 2dms s SER 5 Ca -0.04 -0.19 -0.41 0.00 1.31 0.00 0.00 55.95 56.62 2dms s SER 5 Cb 0.00 -2.46 -0.17 0.00 0.21 0.00 0.00 66.02 63.60 2dms s SER 5 CO 0.20 -1.26 2.16 -0.24 0.41 0.00 0.00 173.24 174.50 2dms n SER 6 N 7.65 1.18 0.00 2.44 2.88 -1.26 -4.42 113.62 122.08 2dms n SER 6 Ca 0.04 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2dms n SER 6 Cb 0.48 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2dms n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dms n GLY 7 N 7.21 -0.41 3.18 0.46 0.00 -1.26 -5.17 105.19 109.20 2dms n GLY 7 Ca 0.51 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.50 -0.14 1.61 0.52 -1.26 -5.04 118.95 116.14 2dms s ARG 8 Ca 0.00 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.47 2dms s ARG 8 Cb 0.00 -1.45 -0.06 0.00 0.52 0.00 0.00 34.95 33.96 2dms s ARG 8 CO 0.00 0.40 -0.18 -2.13 0.02 0.00 0.00 175.30 173.41 2dms n ARG 9 N 2.61 0.30 -0.33 3.54 0.63 -1.26 -4.66 116.66 117.49 2dms n ARG 9 Ca -0.15 0.13 0.10 0.00 -0.92 0.00 0.00 57.85 57.01 2dms n ARG 9 Cb 0.54 -1.00 0.21 0.00 0.45 0.00 0.00 32.46 32.66 2dms n ARG 9 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2dms n GLU 10 N -3.65 -0.08 -1.33 -0.14 1.02 -1.26 -4.53 120.64 110.68 2dms n GLU 10 Ca -0.27 1.43 -0.39 0.00 -0.02 0.00 0.00 57.16 57.91 2dms n GLU 10 Cb 0.68 -2.21 0.01 0.00 -0.02 0.00 0.00 31.44 29.90 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 -5.45 0.17 -1.22 3.49 3.00 -1.26 -4.72 116.66 110.66 2dms n ARG 11 Ca 0.19 0.06 -0.41 0.00 -0.00 0.00 0.00 57.85 57.69 2dms n ARG 11 Cb 0.61 -1.21 -0.02 0.00 0.00 0.00 0.00 32.46 31.84 2dms n ARG 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2dms n THR 12 N -1.43 1.47 0.03 5.15 -1.04 -1.26 -4.89 114.28 112.31 2dms n THR 12 Ca 0.10 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.05 61.47 2dms n THR 12 Cb 0.46 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.82 2dms n THR 12 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2dms h THR 13 N 0.74 1.50 -3.52 12.58 2.02 -1.85 -3.45 112.91 120.93 2dms h THR 13 Ca -0.27 -2.51 -0.53 0.00 0.77 0.00 0.00 66.41 63.88 2dms h THR 13 Cb 1.28 3.18 -0.03 0.00 -1.74 0.00 0.00 68.15 70.85 2dms h THR 13 CO 0.48 0.70 0.19 -0.36 0.37 0.00 0.00 175.52 176.91 2dms s PHE 14 N -2.41 3.88 0.51 3.16 0.40 -1.26 -5.07 117.98 117.20 2dms s PHE 14 Ca -0.15 1.63 -0.01 0.00 -0.60 0.00 0.00 56.93 57.80 2dms s PHE 14 Cb 0.01 -2.80 0.01 0.00 0.51 0.00 0.00 43.02 40.75 2dms s PHE 14 CO 0.81 0.46 0.76 0.95 0.70 0.00 0.00 175.22 178.90 2dms s THR 15 N -0.94 3.65 0.32 0.64 -4.23 -1.26 -4.83 115.64 109.00 2dms s THR 15 Ca 0.37 -0.39 0.10 0.00 -1.18 0.00 0.00 61.69 60.59 2dms s THR 15 Cb -0.23 -3.38 0.32 0.00 1.34 0.00 0.00 72.50 70.55 2dms s THR 15 CO 0.26 -0.30 1.74 0.03 -0.54 0.00 0.00 174.62 175.81 2dms h ARG 16 N 0.17 0.58 0.26 3.99 2.47 -1.98 0.17 114.38 120.04 2dms h ARG 16 Ca -0.45 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2dms h ARG 16 Cb 1.26 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2dms h ARG 16 CO 0.57 0.38 -0.13 0.00 0.56 0.00 0.00 179.97 181.36 2dms h ALA 17 N 1.70 -0.35 -0.65 0.04 0.00 -1.99 -0.19 119.26 117.83 2dms h ALA 17 Ca 0.63 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.46 2dms h ALA 17 Cb 1.19 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2dms h ALA 17 CO -0.44 -0.43 0.18 1.96 0.00 0.00 0.00 179.25 180.53 2dms h GLN 18 N -0.89 0.31 0.12 0.00 4.20 -1.65 -2.39 115.11 114.81 2dms h GLN 18 Ca -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2dms h GLN 18 Cb 0.51 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2dms h GLN 18 CO 0.06 0.21 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.30 2dms h LEU 19 N 0.32 -0.14 -0.91 1.46 3.38 -0.76 -2.34 115.31 116.34 2dms h LEU 19 Ca 0.34 -0.30 0.35 0.00 0.09 0.00 0.00 57.88 58.37 2dms h LEU 19 Cb 0.51 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 2dms h LEU 19 CO -0.40 0.24 0.53 0.47 0.09 0.00 0.00 178.44 179.38 2dms n ASP 20 N -4.99 0.23 -0.08 -0.43 8.00 -0.08 0.16 116.55 119.37 2dms n ASP 20 Ca -0.09 1.23 -0.13 0.00 0.71 0.00 0.00 54.79 56.51 2dms n ASP 20 Cb 0.22 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 2dms n ASP 20 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dms h VAL 21 N 0.00 1.17 -0.63 2.53 2.07 -1.42 -3.20 116.25 116.76 2dms h VAL 21 Ca 0.68 -2.01 0.13 0.00 0.82 0.00 0.00 66.70 66.32 2dms h VAL 21 Cb 1.96 2.35 -0.11 0.00 -1.52 0.00 0.00 31.29 33.97 2dms h VAL 21 CO -0.52 0.40 -0.06 -0.07 0.02 0.00 0.00 177.57 177.34 2dms h LEU 22 N -1.00 -0.40 0.53 2.57 3.38 0.28 -1.68 115.31 119.00 2dms h LEU 22 Ca -0.09 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2dms h LEU 22 Cb 0.90 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dms h LEU 22 CO -0.06 -0.16 -0.37 -0.33 0.09 0.00 0.00 178.44 177.61 2dms h GLU 23 N 0.07 -0.85 -0.82 1.13 5.08 -0.75 -2.52 114.58 115.92 2dms h GLU 23 Ca 0.32 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.91 2dms h GLU 23 Cb 0.52 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.81 2dms h GLU 23 CO -0.59 -0.57 -0.19 0.00 -1.00 0.00 0.00 179.01 176.67 2dms h ALA 24 N -0.53 0.57 -0.24 3.43 0.00 -1.36 1.04 119.26 122.16 2dms h ALA 24 Ca -0.06 0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2dms h ALA 24 Cb 0.73 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dms h ALA 24 CO 0.03 -0.41 0.17 1.25 0.00 0.00 0.00 179.25 180.29 2dms h LEU 25 N 0.01 0.07 -0.73 0.00 5.85 -1.08 0.10 115.31 119.53 2dms h LEU 25 Ca 0.40 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 2dms h LEU 25 Cb 0.62 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2dms h LEU 25 CO -0.83 0.05 -0.27 0.15 -0.34 0.00 0.00 178.44 177.20 2dms h PHE 26 N 0.08 0.00 0.12 1.25 3.57 0.15 0.41 116.94 122.52 2dms h PHE 26 Ca 0.11 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.30 2dms h PHE 26 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2dms h PHE 26 CO -0.00 0.27 -1.58 0.00 -2.23 0.00 0.00 178.31 174.77 2dms h ALA 27 N 1.73 0.29 0.19 2.41 0.00 0.06 -3.27 119.26 120.66 2dms h ALA 27 Ca -0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 54.91 53.45 2dms h ALA 27 Cb 0.93 0.32 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2dms h ALA 27 CO 0.03 1.15 -1.45 1.57 0.00 0.00 0.00 179.25 180.55 2dms h LYS 28 N 0.07 0.40 -1.24 0.00 2.10 -1.20 -3.45 116.57 113.25 2dms h LYS 28 Ca -0.26 -0.69 -0.01 0.00 -2.00 0.00 0.00 60.65 57.70 2dms h LYS 28 Cb 2.03 0.26 -0.23 0.00 -0.90 0.00 0.00 32.23 33.38 2dms h LYS 28 CO 0.16 1.31 -0.38 -0.08 -2.00 0.00 0.00 179.45 178.47 2dms s THR 29 N -2.62 -0.88 0.67 0.07 -1.32 0.13 -5.00 115.64 106.68 2dms s THR 29 Ca -0.08 -0.05 0.43 0.00 -1.21 0.00 0.00 61.69 60.78 2dms s THR 29 Cb 0.06 -0.97 0.43 0.00 -1.51 0.00 0.00 72.50 70.51 2dms s THR 29 CO 0.90 -0.06 2.34 0.03 -2.21 0.00 0.00 174.62 175.62 2dms h ARG 30 N 8.05 0.00 -2.69 7.08 3.08 -1.69 -3.25 114.38 124.96 2dms h ARG 30 Ca -0.13 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.31 2dms h ARG 30 Cb 1.16 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.82 2dms h ARG 30 CO 0.23 0.00 -0.80 0.71 -1.07 0.00 0.00 179.97 179.04 2dms s TYR 31 N -4.15 2.13 0.88 3.04 1.51 -1.26 -4.96 117.35 114.54 2dms s TYR 31 Ca -0.05 -2.74 -0.11 0.00 -1.01 0.00 0.00 57.07 53.16 2dms s TYR 31 Cb 0.13 -1.69 0.12 0.00 -0.11 0.00 0.00 41.96 40.41 2dms s TYR 31 CO 0.40 -0.71 1.09 -1.25 -1.11 0.00 0.00 175.55 173.97 2dms s PRO 32 N -0.53 1.39 0.57 -1.71 0.04 -1.22 -5.07 135.00 128.46 2dms s PRO 32 Ca 0.29 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.24 2dms s PRO 32 Cb -0.01 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.77 2dms s PRO 32 CO -0.17 -2.16 0.78 0.34 0.04 0.00 0.00 177.00 175.83 2dms s ASP 33 N -3.42 5.10 0.32 6.66 2.15 -1.26 -4.88 116.67 121.35 2dms s ASP 33 Ca 0.63 -0.41 0.06 0.00 0.43 0.00 0.00 52.55 53.26 2dms s ASP 33 Cb -0.18 -0.32 0.71 0.00 -0.30 0.00 0.00 42.92 42.84 2dms s ASP 33 CO 0.57 -1.27 1.85 -0.29 -0.17 0.00 0.00 175.17 175.86 2dms h ILE 34 N 0.09 0.86 0.06 4.11 -0.00 -1.98 -0.18 117.51 120.46 2dms h ILE 34 Ca -0.37 -0.28 -0.00 0.00 -0.00 0.00 0.00 64.86 64.21 2dms h ILE 34 Cb 1.28 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 2dms h ILE 34 CO 0.45 0.15 -0.03 -0.26 -0.00 0.00 0.00 178.15 178.46 2dms h PHE 35 N 0.81 -0.07 -0.25 2.19 0.04 -1.99 -0.26 116.94 117.41 2dms h PHE 35 Ca 0.47 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.23 2dms h PHE 35 Cb 0.64 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2dms h PHE 35 CO -0.00 0.01 0.13 0.52 -0.60 0.00 0.00 178.31 178.36 2dms h MET 36 N -0.14 0.36 -0.49 1.51 2.86 -1.72 -2.08 114.93 115.23 2dms h MET 36 Ca -0.01 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2dms h MET 36 Cb 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2dms h MET 36 CO 0.01 0.34 0.23 0.00 1.06 0.00 0.00 176.91 178.56 2dms h ARG 37 N 0.28 0.44 -0.16 1.72 3.08 -0.96 -2.29 114.38 116.49 2dms h ARG 37 Ca 0.09 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2dms h ARG 37 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2dms h ARG 37 CO -0.01 0.29 0.02 0.93 -1.07 0.00 0.00 179.97 180.13 2dms h GLU 38 N 0.46 0.07 0.10 0.04 5.08 -0.85 -0.68 114.58 118.80 2dms h GLU 38 Ca 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2dms h GLU 38 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2dms h GLU 38 CO -0.17 0.05 -0.28 1.49 -1.00 0.00 0.00 179.01 179.11 2dms h GLU 39 N 0.08 -0.41 0.05 2.33 4.81 -0.97 -0.61 114.58 119.86 2dms h GLU 39 Ca 0.07 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2dms h GLU 39 Cb 0.08 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2dms h GLU 39 CO -0.11 -0.27 -0.50 0.28 -0.73 0.00 0.00 179.01 177.68 2dms h VAL 40 N -0.42 0.00 -0.93 0.32 2.07 -1.38 0.27 116.25 116.17 2dms h VAL 40 Ca -0.01 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.78 2dms h VAL 40 Cb 0.41 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2dms h VAL 40 CO -0.13 0.00 0.89 0.00 0.02 0.00 0.00 177.57 178.35 2dms h ALA 41 N -0.54 2.78 0.00 1.67 0.00 -1.03 1.54 119.26 123.68 2dms h ALA 41 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2dms h ALA 41 Cb 0.70 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2dms h ALA 41 CO -0.31 -1.37 -1.36 -0.07 0.00 0.00 0.00 179.25 176.15 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.85 0.20 115.31 119.74 2dms h LEU 42 Ca 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 2dms h LEU 42 Cb 2.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 2dms h LEU 42 CO -0.00 0.54 -0.46 0.50 0.09 0.00 0.00 178.44 179.11 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.51 -3.34 116.57 118.51 2dms h LYS 43 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2dms h LYS 43 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2dms h LYS 43 CO 0.04 0.28 0.00 0.44 -2.27 0.00 0.00 179.45 177.94 2dms n ILE 44 N -4.63 0.57 -2.97 2.00 -5.35 0.17 -4.85 119.36 104.31 2dms n ILE 44 Ca -0.10 0.14 -0.12 0.00 -0.27 0.00 0.00 62.75 62.40 2dms n ILE 44 Cb 0.29 -0.99 0.06 0.00 -1.74 0.00 0.00 39.64 37.27 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 -1.21 -3.56 -4.04 7.28 5.15 -1.21 -4.75 115.26 112.91 2dms n ASN 45 Ca 0.05 -0.50 -0.08 0.00 -0.60 0.00 0.00 54.58 53.46 2dms n ASN 45 Cb 0.06 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.18 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 -5.08 2.35 -0.04 1.20 1.43 0.69 -5.03 118.68 114.20 2dms s LEU 46 Ca 0.15 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2dms s LEU 46 Cb -0.02 0.21 -0.05 0.00 0.03 0.00 0.00 46.19 46.36 2dms s LEU 46 CO 0.55 -0.50 1.48 -2.16 0.23 0.00 0.00 176.35 175.95 2dms s PRO 47 N -3.08 4.23 0.53 1.29 0.04 -1.26 -4.21 135.00 132.55 2dms s PRO 47 Ca -0.01 2.02 0.35 0.00 0.04 0.00 0.00 61.00 63.40 2dms s PRO 47 Cb 0.02 -3.74 1.22 0.00 0.04 0.00 0.00 34.50 32.03 2dms s PRO 47 CO -0.07 -0.70 1.31 0.39 0.04 0.00 0.00 177.00 177.97 2dms n GLU 48 N 6.18 0.01 0.26 4.56 4.71 -1.26 0.52 120.64 135.62 2dms n GLU 48 Ca 0.15 0.97 -0.14 0.00 -0.01 0.00 0.00 57.16 58.12 2dms n GLU 48 Cb 0.43 -2.31 -0.07 0.00 -1.01 0.00 0.00 31.44 28.48 2dms n GLU 48 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2dms h SER 49 N 0.00 -0.58 -0.76 1.62 0.02 -1.96 -3.01 113.55 108.87 2dms h SER 49 Ca 0.66 -0.07 0.14 0.00 -0.84 0.00 0.00 61.79 61.68 2dms h SER 49 Cb 3.09 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 65.69 2dms h SER 49 CO -0.01 -0.22 0.33 0.03 -1.14 0.00 0.00 176.83 175.82 2dms h ARG 50 N -0.99 0.47 -0.32 3.45 2.47 -0.30 -1.85 114.38 117.32 2dms h ARG 50 Ca -0.07 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2dms h ARG 50 Cb 0.61 -0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.74 2dms h ARG 50 CO 0.12 0.31 -0.30 0.28 0.56 0.00 0.00 179.97 180.93 2dms h VAL 51 N 0.48 0.28 -0.08 2.04 2.07 -1.48 0.92 116.25 120.48 2dms h VAL 51 Ca 0.42 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.97 2dms h VAL 51 Cb 0.61 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2dms h VAL 51 CO -0.38 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.47 2dms h GLN 52 N -0.28 -0.16 -0.26 1.57 4.15 -1.21 -2.70 115.11 116.22 2dms h GLN 52 Ca 0.15 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.64 2dms h GLN 52 Cb 0.52 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 2dms h GLN 52 CO -0.47 -0.11 -0.14 0.28 -1.93 0.00 0.00 178.83 176.47 2dms h VAL 53 N -0.17 0.59 -1.13 2.39 2.07 -0.90 -1.14 116.25 117.96 2dms h VAL 53 Ca 0.07 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.01 2dms h VAL 53 Cb 0.27 0.59 -0.16 0.00 -1.52 0.00 0.00 31.29 30.47 2dms h VAL 53 CO -0.18 0.00 0.67 -0.25 0.02 0.00 0.00 177.57 177.82 2dms h TRP 54 N -0.11 0.73 0.45 1.57 7.01 -0.51 0.53 115.95 125.63 2dms h TRP 54 Ca 0.14 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2dms h TRP 54 Cb 0.31 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2dms h TRP 54 CO -0.32 -0.34 -0.22 0.74 -2.79 0.00 0.00 178.44 175.52 2dms h PHE 55 N 0.07 -0.56 -0.99 2.65 0.04 -1.16 -1.06 116.94 115.93 2dms h PHE 55 Ca 0.83 -0.01 0.37 0.00 2.80 0.00 0.00 57.97 61.96 2dms h PHE 55 Cb 2.31 0.19 -0.17 0.00 2.20 0.00 0.00 35.95 40.48 2dms h PHE 55 CO -0.01 -0.30 0.50 0.87 -0.60 0.00 0.00 178.31 178.77 2dms h LYS 56 N -1.12 0.11 0.06 1.51 1.57 -0.69 0.99 116.57 119.00 2dms h LYS 56 Ca -0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2dms h LYS 56 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2dms h LYS 56 CO 0.10 0.07 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.11 2dms h ASN 57 N 0.11 -0.07 -0.57 0.86 2.35 -1.33 -3.36 115.58 113.58 2dms h ASN 57 Ca 0.78 -0.57 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2dms h ASN 57 Cb 1.95 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 40.27 2dms h ASN 57 CO -0.73 0.61 -0.33 -1.14 -1.65 0.00 0.00 177.43 174.18 2dms n ARG 58 N -4.80 -0.25 -0.37 0.81 3.00 0.29 0.13 116.66 115.47 2dms n ARG 58 Ca -0.08 1.19 0.33 0.00 -0.00 0.00 0.00 57.85 59.29 2dms n ARG 58 Cb 0.31 -1.76 0.58 0.00 0.00 0.00 0.00 32.46 31.59 2dms n ARG 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dms n ARG 59 N -4.30 -0.04 -0.03 -0.14 5.12 -0.90 -0.68 116.66 115.69 2dms n ARG 59 Ca 0.01 1.19 -0.00 0.00 -1.93 0.00 0.00 57.85 57.11 2dms n ARG 59 Cb 0.15 -2.24 -0.00 0.00 -1.16 0.00 0.00 32.46 29.20 2dms n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dms h ALA 60 N 1.60 -0.03 -0.98 7.54 0.00 0.86 -3.37 119.26 124.90 2dms h ALA 60 Ca 0.79 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.84 2dms h ALA 60 Cb 2.33 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 19.98 2dms h ALA 60 CO -0.54 -0.03 -0.40 -0.22 0.00 0.00 0.00 179.25 178.06 2dms h LYS 61 N -0.70 -0.01 -0.79 0.00 3.64 0.66 0.25 116.57 119.61 2dms h LYS 61 Ca -0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 2dms h LYS 61 Cb 0.02 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.69 2dms h LYS 61 CO 0.00 -0.01 -0.14 0.00 -2.27 0.00 0.00 179.45 177.03 2dms h ARG 63 N 0.00 0.05 0.03 0.00 2.43 -0.65 -0.77 114.38 115.48 2dms h ARG 63 Ca 0.40 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.48 2dms h ARG 63 Cb 0.68 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2dms h ARG 63 CO -0.79 0.03 -0.38 0.37 -1.51 0.00 0.00 179.97 177.69 2dms h GLN 64 N 0.05 0.20 -7.28 0.20 -0.00 0.85 -3.45 115.11 105.68 2dms h GLN 64 Ca 0.50 -0.26 -0.44 0.00 -0.00 0.00 0.00 58.65 58.46 2dms h GLN 64 Cb 0.95 0.08 0.18 0.00 0.00 0.00 0.00 27.48 28.70 2dms h GLN 64 CO -0.82 1.03 0.10 -1.14 0.00 0.00 0.00 178.83 178.01 2dms s GLN 65 N -2.79 -0.46 -1.59 1.69 0.74 -0.29 -3.74 119.66 113.23 2dms s GLN 65 Ca -0.16 0.51 -0.14 0.00 0.05 0.00 0.00 55.36 55.63 2dms s GLN 65 Cb 0.00 -1.63 0.10 0.00 1.10 0.00 0.00 33.01 32.58 2dms s GLN 65 CO 0.76 -3.33 0.82 0.94 -0.55 0.00 0.00 175.29 173.93 2dms n GLN 66 N -4.59 -4.21 -4.26 1.67 7.27 -1.26 -4.83 117.38 107.17 2dms n GLN 66 Ca 0.05 0.48 -0.27 0.00 0.07 0.00 0.00 57.00 57.33 2dms n GLN 66 Cb 0.57 -5.20 -0.09 0.00 2.41 0.00 0.00 30.24 27.93 2dms n GLN 66 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2dms s GLN 67 N -6.72 2.17 -0.57 3.69 -0.44 -1.25 -5.01 119.66 111.54 2dms s GLN 67 Ca 0.59 -1.19 -0.28 0.00 -2.50 0.00 0.00 55.36 51.99 2dms s GLN 67 Cb -0.31 -2.24 -0.15 0.00 -1.64 0.00 0.00 33.01 28.67 2dms s GLN 67 CO 0.88 0.45 1.82 0.94 0.50 0.00 0.00 175.29 179.88 2dms n GLN 68 N 0.09 0.00 -3.95 1.67 7.27 -1.26 -4.86 117.38 116.34 2dms n GLN 68 Ca -0.11 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.87 2dms n GLN 68 Cb 0.55 -1.13 -0.08 0.00 2.41 0.00 0.00 30.24 31.99 2dms n GLN 68 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2dms s GLN 69 N 5.65 0.91 -0.65 3.69 -0.21 -1.26 -5.06 119.66 122.73 2dms s GLN 69 Ca 0.96 -1.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 2dms s GLN 69 Cb -1.04 0.32 0.43 0.00 1.00 0.00 0.00 33.01 33.73 2dms s GLN 69 CO 0.43 -0.29 1.92 1.04 -2.12 0.00 0.00 175.29 176.28 2dms n GLN 70 N -0.09 2.82 -4.54 2.91 1.13 -1.26 -4.97 117.38 113.39 2dms n GLN 70 Ca -0.12 -3.45 -0.25 0.00 -1.94 0.00 0.00 57.00 51.24 2dms n GLN 70 Cb 0.63 -2.28 -0.11 0.00 0.11 0.00 0.00 30.24 28.58 2dms n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2dms s ASN 71 N -1.94 3.39 0.00 1.08 0.01 -1.26 -5.16 114.94 111.06 2dms s ASN 71 Ca 0.61 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2dms s ASN 71 Cb 0.49 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.85 2dms s ASN 71 CO -0.08 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 2dms n GLY 72 N -0.81 1.58 0.00 0.66 0.00 -1.26 -5.14 105.19 100.21 2dms n GLY 72 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 5.00 1.71 3.62 -0.02 0.00 -1.26 -5.17 105.19 109.07 2dms n GLY 73 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2dms n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dms s GLN 74 N 1.32 0.78 0.26 1.61 0.74 -1.26 -5.18 119.66 117.93 2dms s GLN 74 Ca 0.00 0.82 0.01 0.00 0.05 0.00 0.00 55.36 56.24 2dms s GLN 74 Cb 0.00 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 2dms s GLN 74 CO 0.00 -0.12 0.13 0.45 -0.55 0.00 0.00 175.29 175.21 2dms s SER 75 N 0.15 1.02 0.23 6.67 0.15 -1.26 -5.18 113.70 115.48 2dms s SER 75 Ca -0.00 -1.46 -0.17 0.00 0.70 0.00 0.00 55.95 55.02 2dms s SER 75 Cb -0.04 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2dms s SER 75 CO 0.00 -0.83 0.55 -0.83 1.20 0.00 0.00 173.24 173.33 2dms s GLY 76 N -3.29 0.10 0.75 9.45 0.00 -1.26 -5.17 107.32 107.91 2dms s GLY 76 Ca 0.38 -0.45 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 2dms s GLY 76 CO 0.15 -0.34 1.10 2.56 0.00 0.00 0.00 173.10 176.56 2dms s PRO 77 N -3.93 2.37 -0.14 2.90 0.04 -1.26 -5.02 135.00 129.97 2dms s PRO 77 Ca 0.14 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 2dms s PRO 77 Cb -0.02 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2dms s PRO 77 CO 0.03 -1.56 -0.22 0.43 0.04 0.00 0.00 177.00 175.71 2dms n SER 78 N -3.29 1.39 -4.63 6.66 7.64 -1.26 -4.96 113.62 115.18 2dms n SER 78 Ca 0.09 0.23 -0.39 0.00 1.01 0.00 0.00 58.87 59.81 2dms n SER 78 Cb 0.53 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.10 2dms n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dms s SER 79 N -6.32 6.37 0.00 6.43 1.04 -1.26 -5.24 113.70 114.72 2dms s SER 79 Ca -0.22 0.44 0.29 0.00 0.48 0.00 0.00 55.95 56.95 2dms s SER 79 Cb 0.07 -2.25 1.75 0.00 0.10 0.00 0.00 66.02 65.69 2dms s SER 79 CO 0.29 -0.20 2.09 0.61 0.98 0.00 0.00 173.24 177.01