#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd n SER 2 N 0.00 -3.02 0.01 1.61 2.88 -1.26 -4.92 113.62 108.92 2dmd n SER 2 Ca 0.00 -0.66 -0.10 0.00 -1.33 0.00 0.00 58.87 56.78 2dmd n SER 2 Cb 0.00 -4.78 -0.07 0.00 -0.75 0.00 0.00 64.21 58.62 2dmd n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dmd h SER 3 N -2.09 -1.16 -4.81 -3.46 0.02 -2.16 -3.48 113.55 96.42 2dmd h SER 3 Ca -0.59 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dmd h SER 3 Cb 1.35 0.45 0.00 0.00 0.14 0.00 0.00 62.40 64.34 2dmd h SER 3 CO 0.54 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2dmd n GLY 4 N -1.30 0.38 3.66 -3.77 0.00 -1.26 -5.12 105.19 97.78 2dmd n GLY 4 Ca -0.04 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmd s SER 5 N -0.67 -0.11 0.59 1.61 0.15 -1.26 -5.18 113.70 108.83 2dmd s SER 5 Ca 0.00 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.50 2dmd s SER 5 Cb 0.00 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 2dmd s SER 5 CO 0.00 -0.49 0.82 -0.94 1.20 0.00 0.00 173.24 173.83 2dmd s SER 6 N -2.90 4.98 -0.49 5.45 1.04 -1.26 -5.10 113.70 115.42 2dmd s SER 6 Ca 0.13 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.10 2dmd s SER 6 Cb 0.02 -0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.23 2dmd s SER 6 CO -0.02 -1.38 0.65 -0.83 0.98 0.00 0.00 173.24 172.64 2dmd s GLY 7 N -4.61 -0.88 0.00 7.32 0.00 -1.26 -5.15 107.32 102.74 2dmd s GLY 7 Ca 0.62 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2dmd s GLY 7 CO 0.40 3.42 0.00 -1.55 0.00 0.00 0.00 173.10 175.36 2dmd n PRO 8 N 3.16 0.12 -2.01 2.90 -0.04 -1.26 -4.85 135.00 133.01 2dmd n PRO 8 Ca 0.19 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.26 2dmd n PRO 8 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 2dmd n PRO 8 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dmd s HIS 9 N -0.44 1.62 -0.20 0.54 3.76 -1.26 -4.95 115.29 114.36 2dmd s HIS 9 Ca 0.00 0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 2dmd s HIS 9 Cb 0.00 -4.05 -0.02 0.00 1.11 0.00 0.00 32.58 29.62 2dmd s HIS 9 CO 0.00 -2.33 -0.02 0.21 -0.85 0.00 0.00 174.74 171.74 2dmd s LYS 10 N 7.10 3.52 1.06 1.40 2.47 -1.26 -3.53 119.74 130.50 2dmd s LYS 10 Ca 0.69 -0.57 -0.21 0.00 -1.56 0.00 0.00 55.97 54.32 2dmd s LYS 10 Cb -0.13 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 2dmd s LYS 10 CO 0.21 -0.05 -0.53 0.00 0.16 0.00 0.00 175.35 175.14 2dmd n GLU 12 N -0.39 0.03 -0.34 0.00 2.13 -1.26 -3.74 120.64 117.06 2dmd n GLU 12 Ca -0.00 0.01 0.11 0.00 0.66 0.00 0.00 57.16 57.94 2dmd n GLU 12 Cb 0.64 -0.60 0.29 0.00 0.27 0.00 0.00 31.44 32.04 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2dmd h VAL 13 N -0.04 0.73 0.00 6.31 -1.51 -1.98 -3.33 116.25 116.42 2dmd h VAL 13 Ca -0.03 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 2dmd h VAL 13 Cb 1.03 -0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2dmd h VAL 13 CO -0.02 0.14 -1.07 0.00 -1.23 0.00 0.00 177.57 175.39 2dmd n GLY 15 N 3.12 0.84 3.79 0.00 0.00 -1.25 -5.04 105.19 106.66 2dmd n GLY 15 Ca -0.02 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 2dmd n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmd s LYS 16 N -1.81 2.62 0.04 1.61 2.20 -1.26 -4.80 119.74 118.34 2dmd s LYS 16 Ca 0.00 -1.34 -0.11 0.00 -0.36 0.00 0.00 55.97 54.16 2dmd s LYS 16 Cb 0.00 -2.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.89 2dmd s LYS 16 CO 0.00 0.17 0.38 0.00 -0.36 0.00 0.00 175.35 175.54 2dmd s PHE 18 N -1.29 -0.20 -0.15 0.00 0.08 -1.23 -5.01 117.98 110.18 2dmd s PHE 18 Ca 0.29 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.70 2dmd s PHE 18 Cb -0.14 0.07 -0.06 0.00 -0.57 0.00 0.00 43.02 42.31 2dmd s PHE 18 CO 0.16 -0.18 -0.08 0.77 -0.10 0.00 0.00 175.22 175.78 2dmd h SER 19 N 5.30 0.00 -4.01 1.36 0.02 -1.99 -3.40 113.55 110.84 2dmd h SER 19 Ca -0.27 -0.10 -0.48 0.00 -0.84 0.00 0.00 61.79 60.10 2dmd h SER 19 Cb 1.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.74 2dmd h SER 19 CO 0.37 0.86 0.28 -0.13 -1.14 0.00 0.00 176.83 177.07 2dmd s ARG 20 N -2.21 3.91 -0.12 3.45 3.00 -1.26 -4.97 118.95 120.75 2dmd s ARG 20 Ca -0.16 0.79 -0.22 0.00 0.00 0.00 0.00 55.73 56.14 2dmd s ARG 20 Cb 0.02 -2.23 -0.20 0.00 0.00 0.00 0.00 34.95 32.54 2dmd s ARG 20 CO 0.27 -0.16 0.63 0.87 0.00 0.00 0.00 175.30 176.91 2dmd h LYS 21 N 1.13 -0.01 -0.95 3.54 1.57 -2.00 -3.33 116.57 116.52 2dmd h LYS 21 Ca -0.47 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 58.60 2dmd h LYS 21 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 2dmd h LYS 21 CO 0.62 0.72 0.38 0.38 -0.57 0.00 0.00 179.45 180.98 2dmd h ASP 22 N -0.97 0.18 -0.63 0.86 2.03 -2.02 -0.25 116.42 115.62 2dmd h ASP 22 Ca -0.00 0.21 0.09 0.00 -0.73 0.00 0.00 57.03 56.60 2dmd h ASP 22 Cb 0.74 0.24 -0.11 0.00 -0.83 0.00 0.00 39.33 39.37 2dmd h ASP 22 CO 0.00 -0.20 -0.46 0.11 -1.03 0.00 0.00 179.24 177.65 2dmd h LYS 23 N 0.21 -0.20 -0.85 4.15 1.79 -1.99 -0.39 116.57 119.28 2dmd h LYS 23 Ca 0.66 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.29 2dmd h LYS 23 Cb 1.47 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 32.02 2dmd h LYS 23 CO -0.68 -0.14 -0.34 1.25 -1.08 0.00 0.00 179.45 178.47 2dmd h LEU 24 N -0.21 -1.23 -0.38 2.94 5.85 -1.20 0.23 115.31 121.31 2dmd h LEU 24 Ca 0.17 0.28 0.03 0.00 0.84 0.00 0.00 57.88 59.21 2dmd h LEU 24 Cb 0.55 0.66 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2dmd h LEU 24 CO -0.72 -0.29 -0.23 0.29 -0.34 0.00 0.00 178.44 177.15 2dmd n LYS 25 N -5.48 -0.17 -0.11 1.25 5.02 -0.16 -0.92 118.16 117.60 2dmd n LYS 25 Ca 0.09 1.04 -0.11 0.00 -2.02 0.00 0.00 58.31 57.31 2dmd n LYS 25 Cb 0.40 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2dmd h THR 26 N 0.00 1.26 -1.65 -0.18 2.02 -1.29 -2.92 112.91 110.14 2dmd h THR 26 Ca 0.06 -0.94 0.48 0.00 0.77 0.00 0.00 66.41 66.78 2dmd h THR 26 Cb 0.16 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 2dmd h THR 26 CO -0.36 0.31 1.23 1.57 0.37 0.00 0.00 175.52 178.63 2dmd n HIS 27 N -4.55 0.00 0.00 3.16 -0.00 0.71 0.26 115.22 114.80 2dmd n HIS 27 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.52 2dmd n HIS 27 Cb 0.26 -0.41 -0.10 0.00 -0.00 0.00 0.00 29.99 29.74 2dmd n HIS 27 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmd h MET 28 N 0.00 0.51 -0.94 1.57 2.86 -1.18 -3.28 114.93 114.48 2dmd h MET 28 Ca 0.78 -0.51 0.25 0.00 -2.06 0.00 0.00 59.70 58.17 2dmd h MET 28 Cb 3.23 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 34.85 2dmd h MET 28 CO -0.01 1.14 0.06 0.00 1.06 0.00 0.00 176.91 179.16 2dmd h ARG 29 N 0.07 0.05 0.46 1.72 3.08 0.35 0.62 114.38 120.73 2dmd h ARG 29 Ca -0.07 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2dmd h ARG 29 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2dmd h ARG 29 CO 0.13 0.03 -0.22 0.00 -1.07 0.00 0.00 179.97 178.84 2dmd n HIS 31 N -5.32 0.49 -3.49 0.00 8.25 0.21 -4.94 115.22 110.41 2dmd n HIS 31 Ca -0.11 0.82 -0.13 0.00 -0.26 0.00 0.00 57.72 58.03 2dmd n HIS 31 Cb 0.28 -1.61 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 2dmd n HIS 31 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dmd s THR 32 N -0.01 0.00 -5.00 1.59 -1.32 -1.26 -4.02 115.64 105.62 2dmd s THR 32 Ca 0.70 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.18 2dmd s THR 32 Cb -0.98 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 2dmd s THR 32 CO 0.44 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2dmd n GLY 33 N 0.20 -0.48 3.36 6.08 0.00 -1.26 -5.01 105.19 108.08 2dmd n GLY 33 Ca -0.15 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 2dmd n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmd n VAL 34 N 9.00 1.07 -3.89 1.61 0.24 -1.26 -4.85 118.33 120.25 2dmd n VAL 34 Ca 0.00 -0.99 -0.35 0.00 -2.04 0.00 0.00 64.34 60.96 2dmd n VAL 34 Cb 0.00 -2.16 -0.14 0.00 -1.47 0.00 0.00 33.84 30.07 2dmd n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2dmd s LYS 35 N 6.28 3.36 0.28 7.34 3.01 -1.26 -4.98 119.74 133.77 2dmd s LYS 35 Ca 0.66 -0.64 0.24 0.00 -1.01 0.00 0.00 55.97 55.22 2dmd s LYS 35 Cb 0.10 -3.06 1.01 0.00 -1.01 0.00 0.00 37.83 34.87 2dmd s LYS 35 CO 0.20 -0.22 1.73 -0.35 0.51 0.00 0.00 175.35 177.22 2dmd n PRO 36 N 4.81 0.21 -3.48 -1.68 -0.04 -1.26 -4.20 135.00 129.35 2dmd n PRO 36 Ca -0.18 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 2dmd n PRO 36 Cb 0.51 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2dmd n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dmd s TYR 37 N -3.34 3.80 0.05 0.54 2.02 -1.25 -5.03 117.35 114.13 2dmd s TYR 37 Ca 0.04 -2.50 0.05 0.00 -0.37 0.00 0.00 57.07 54.29 2dmd s TYR 37 Cb 0.09 -3.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.06 2dmd s TYR 37 CO 0.40 -0.90 -0.15 0.15 -1.57 0.00 0.00 175.55 173.48 2dmd s LYS 38 N -0.46 0.98 -0.03 -0.62 1.02 -1.26 -1.88 119.74 117.49 2dmd s LYS 38 Ca 0.22 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2dmd s LYS 38 Cb -0.12 -1.01 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 2dmd s LYS 38 CO -0.08 0.25 0.95 0.00 -0.92 0.00 0.00 175.35 175.55 2dmd h LYS 40 N 6.87 0.55 0.00 0.00 1.79 -2.00 -3.20 116.57 120.58 2dmd h LYS 40 Ca -0.39 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2dmd h LYS 40 Cb 1.20 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2dmd h LYS 40 CO 0.77 0.36 -0.36 1.15 -1.08 0.00 0.00 179.45 180.30 2dmd h THR 41 N 0.56 0.01 -3.32 -0.16 2.02 -2.03 -3.48 112.91 106.52 2dmd h THR 41 Ca 0.28 -1.01 -0.38 0.00 0.77 0.00 0.00 66.41 66.07 2dmd h THR 41 Cb 0.36 0.02 0.18 0.00 -1.74 0.00 0.00 68.15 66.97 2dmd h THR 41 CO -0.08 0.00 0.14 0.00 0.37 0.00 0.00 175.52 175.95 2dmd n ASP 43 N -4.67 3.33 -4.79 0.00 9.92 -1.26 -4.45 116.55 114.63 2dmd n ASP 43 Ca 0.15 -2.98 -0.37 0.00 -0.53 0.00 0.00 54.79 51.06 2dmd n ASP 43 Cb 0.56 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.56 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2dmd s TYR 44 N -3.60 3.53 -0.25 1.24 5.04 -1.26 -5.03 117.35 117.01 2dmd s TYR 44 Ca 0.40 0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 55.51 2dmd s TYR 44 Cb 0.37 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 40.47 2dmd s TYR 44 CO -0.00 0.47 0.15 0.00 -1.34 0.00 0.00 175.55 174.82 2dmd s ALA 45 N -0.25 3.47 -0.20 3.97 0.00 -1.26 -3.94 121.76 123.55 2dmd s ALA 45 Ca 0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2dmd s ALA 45 Cb -0.13 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2dmd s ALA 45 CO 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 175.76 175.41 2dmd s ALA 46 N 1.42 2.98 -0.46 0.00 0.00 -0.79 -4.73 121.76 120.20 2dmd s ALA 46 Ca 0.07 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2dmd s ALA 46 Cb -0.15 -1.73 0.44 0.00 0.00 0.00 0.00 23.12 21.68 2dmd s ALA 46 CO 0.07 -0.15 1.90 0.00 0.00 0.00 0.00 175.76 177.57 2dmd n ALA 47 N 4.26 5.47 -3.61 0.00 0.00 -1.26 -3.93 120.51 121.43 2dmd n ALA 47 Ca -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 53.44 50.67 2dmd n ALA 47 Cb 0.52 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 2dmd n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dmd s ASP 48 N -0.96 -0.15 -0.07 0.00 2.15 -1.26 -5.02 116.67 111.35 2dmd s ASP 48 Ca 0.49 -0.10 -0.27 0.00 0.43 0.00 0.00 52.55 53.11 2dmd s ASP 48 Cb 0.40 0.23 -0.23 0.00 -0.30 0.00 0.00 42.92 43.02 2dmd s ASP 48 CO 0.04 -0.40 1.04 -1.28 -0.17 0.00 0.00 175.17 174.39 2dmd h SER 49 N 2.00 0.05 -0.58 -0.34 0.87 -2.00 -3.23 113.55 110.31 2dmd h SER 49 Ca -0.20 -0.73 -0.02 0.00 -1.23 0.00 0.00 61.79 59.61 2dmd h SER 49 Cb 1.20 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2dmd h SER 49 CO 0.26 0.77 0.29 0.77 -0.53 0.00 0.00 176.83 178.39 2dmd h SER 50 N -0.67 0.75 -0.64 6.23 4.64 -1.98 0.26 113.55 122.15 2dmd h SER 50 Ca -0.00 -0.12 0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2dmd h SER 50 Cb 0.78 -0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 62.56 2dmd h SER 50 CO 0.01 0.67 -0.09 0.77 -0.87 0.00 0.00 176.83 177.31 2dmd h SER 51 N 0.79 -0.47 -0.01 4.97 4.64 -1.96 0.08 113.55 121.58 2dmd h SER 51 Ca 0.20 0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.56 2dmd h SER 51 Cb 0.11 0.35 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2dmd h SER 51 CO -0.03 -0.18 -0.52 0.25 -0.87 0.00 0.00 176.83 175.48 2dmd h LEU 52 N 0.04 0.48 -0.78 5.97 5.85 -1.53 -3.18 115.31 122.16 2dmd h LEU 52 Ca 0.32 -0.75 0.19 0.00 0.84 0.00 0.00 57.88 58.48 2dmd h LEU 52 Cb 0.51 -0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.26 2dmd h LEU 52 CO -0.62 1.16 0.12 0.78 -0.34 0.00 0.00 178.44 179.54 2dmd h ASN 53 N -0.15 -0.15 0.75 1.25 2.35 -0.12 1.09 115.58 120.60 2dmd h ASN 53 Ca -0.06 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2dmd h ASN 53 Cb 1.23 0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.88 2dmd h ASN 53 CO 0.10 -0.13 -0.08 0.50 -1.65 0.00 0.00 177.43 176.17 2dmd h LYS 54 N 0.18 0.00 0.01 0.81 3.64 -1.08 -3.20 116.57 116.93 2dmd h LYS 54 Ca 0.45 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2dmd h LYS 54 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2dmd h LYS 54 CO -0.62 0.08 -0.01 1.25 -2.27 0.00 0.00 179.45 177.88 2dmd h HIS 55 N 0.00 -0.02 -0.29 1.91 2.76 0.11 -3.29 115.15 116.34 2dmd h HIS 55 Ca -0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2dmd h HIS 55 Cb 0.48 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2dmd h HIS 55 CO 0.00 0.34 0.80 -0.07 -1.30 0.00 0.00 177.93 177.70 2dmd h LEU 56 N -1.00 0.00 0.89 0.26 3.38 -0.83 -0.06 115.31 117.95 2dmd h LEU 56 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dmd h LEU 56 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2dmd h LEU 56 CO 0.00 0.00 -0.43 0.03 0.09 0.00 0.00 178.44 178.14 2dmd h ARG 57 N 0.00 -1.15 -1.25 1.13 3.08 -1.62 -2.75 114.38 111.82 2dmd h ARG 57 Ca 0.14 0.08 0.42 0.00 0.07 0.00 0.00 59.98 60.69 2dmd h ARG 57 Cb 1.73 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 31.92 2dmd h ARG 57 CO -0.00 -0.76 0.82 0.44 -1.07 0.00 0.00 179.97 179.40 2dmd n ILE 58 N -5.58 -0.19 -0.84 2.04 -5.35 -0.04 -4.36 119.36 105.04 2dmd n ILE 58 Ca -0.15 1.52 -0.25 0.00 -0.27 0.00 0.00 62.75 63.60 2dmd n ILE 58 Cb 0.47 -2.50 0.22 0.00 -1.74 0.00 0.00 39.64 36.09 2dmd n ILE 58 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2dmd n HIS 59 N -4.33 -3.72 -3.70 4.28 8.25 -1.04 -4.15 115.22 110.80 2dmd n HIS 59 Ca 0.35 -0.82 -0.27 0.00 -0.26 0.00 0.00 57.72 56.73 2dmd n HIS 59 Cb 1.40 -0.98 0.05 0.00 1.12 0.00 0.00 29.99 31.58 2dmd n HIS 59 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dmd n SER 60 N -4.72 -5.69 0.02 0.41 2.88 -1.26 -4.86 113.62 100.40 2dmd n SER 60 Ca 0.13 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2dmd n SER 60 Cb 0.50 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 59.45 2dmd n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2dmd n ASP 61 N -2.90 0.30 -3.45 -3.46 5.75 -1.26 -5.08 116.55 106.45 2dmd n ASP 61 Ca 0.02 0.06 -0.31 0.00 -0.01 0.00 0.00 54.79 54.55 2dmd n ASP 61 Cb 0.55 -0.07 0.02 0.00 -1.03 0.00 0.00 41.12 40.58 2dmd n ASP 61 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2dmd n GLU 62 N -3.11 0.00 -1.74 0.11 0.00 -1.26 -4.76 120.64 109.88 2dmd n GLU 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2dmd n GLU 62 Cb 0.29 -0.84 -0.01 0.00 0.00 0.00 0.00 31.44 30.88 2dmd n GLU 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dmd n ARG 63 N 1.67 2.51 0.03 5.31 3.00 -1.26 -4.91 116.66 123.01 2dmd n ARG 63 Ca 0.03 0.88 -0.06 0.00 -0.01 0.00 0.00 57.85 58.69 2dmd n ARG 63 Cb 0.43 -2.59 0.14 0.00 0.00 0.00 0.00 32.46 30.43 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2dmd h PRO 64 N 3.61 0.43 -5.68 5.56 0.13 -1.86 -3.43 132.00 130.75 2dmd h PRO 64 Ca -0.48 -0.23 -0.59 0.00 -0.87 0.00 0.00 66.00 63.84 2dmd h PRO 64 Cb 1.25 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 2dmd h PRO 64 CO 0.70 0.79 -0.23 -0.06 -0.23 0.00 0.00 178.00 178.98 2dmd s PHE 65 N -4.14 3.53 0.01 1.56 0.08 -1.23 -5.07 117.98 112.71 2dmd s PHE 65 Ca -0.06 0.79 0.03 0.00 0.12 0.00 0.00 56.93 57.81 2dmd s PHE 65 Cb 0.12 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2dmd s PHE 65 CO 0.81 0.28 -0.10 0.15 -0.10 0.00 0.00 175.22 176.26 2dmd s LYS 66 N 0.26 0.76 0.02 0.44 1.02 -1.26 -3.03 119.74 117.95 2dmd s LYS 66 Ca 0.22 -0.48 -0.21 0.00 0.02 0.00 0.00 55.97 55.52 2dmd s LYS 66 Cb -0.14 -0.72 -0.06 0.00 -0.52 0.00 0.00 37.83 36.39 2dmd s LYS 66 CO 0.08 0.19 0.60 0.00 -0.92 0.00 0.00 175.35 175.30 2dmd h GLN 68 N 5.38 -0.75 -0.05 0.00 1.08 -1.98 -3.35 115.11 115.43 2dmd h GLN 68 Ca -0.46 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 56.80 2dmd h GLN 68 Cb 1.20 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.78 2dmd h GLN 68 CO 0.68 -0.50 -0.22 0.82 -0.95 0.00 0.00 178.83 178.67 2dmd h ILE 69 N -1.10 0.00 -2.83 2.54 2.04 -2.01 -3.42 117.51 112.72 2dmd h ILE 69 Ca -0.08 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.19 2dmd h ILE 69 Cb 0.60 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2dmd h ILE 69 CO 0.13 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.72 2dmd n PRO 71 N -0.11 0.49 -0.91 0.00 -0.04 -1.26 -3.86 135.00 129.31 2dmd n PRO 71 Ca -0.08 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.02 2dmd n PRO 71 Cb 0.54 -1.23 0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2dmd n PRO 71 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2dmd n TYR 72 N -0.73 -2.24 -3.66 0.54 9.36 -1.26 -4.73 117.16 114.43 2dmd n TYR 72 Ca 0.05 0.35 -0.14 0.00 3.32 0.00 0.00 57.90 61.49 2dmd n TYR 72 Cb 0.03 -1.47 -0.08 0.00 -0.63 0.00 0.00 39.34 37.19 2dmd n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmd s ALA 73 N -2.09 -1.45 -0.04 2.98 0.00 -1.26 -3.15 121.76 116.76 2dmd s ALA 73 Ca 0.43 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.82 2dmd s ALA 73 Cb -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2dmd s ALA 73 CO 0.70 -0.29 0.20 0.45 0.00 0.00 0.00 175.76 176.82 2dmd s SER 74 N -0.03 -0.12 -0.12 0.00 0.15 -1.17 -5.04 113.70 107.37 2dmd s SER 74 Ca -0.03 0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 2dmd s SER 74 Cb -0.04 0.33 -0.26 0.00 -1.71 0.00 0.00 66.02 64.35 2dmd s SER 74 CO 0.02 -0.23 0.84 -0.09 1.20 0.00 0.00 173.24 174.98 2dmd h ARG 75 N 4.98 0.03 -7.48 5.44 9.65 -1.96 -3.27 114.38 121.76 2dmd h ARG 75 Ca -0.28 -0.04 -0.46 0.00 -1.10 0.00 0.00 59.98 58.10 2dmd h ARG 75 Cb 1.19 0.01 0.13 0.00 -1.39 0.00 0.00 29.97 29.92 2dmd h ARG 75 CO 0.39 0.96 0.29 1.21 2.80 0.00 0.00 179.97 185.62 2dmd s ASN 76 N -6.22 3.47 -0.20 -3.80 2.47 -1.26 -4.78 114.94 104.63 2dmd s ASN 76 Ca -0.18 0.98 -0.18 0.00 0.42 0.00 0.00 52.86 53.89 2dmd s ASN 76 Cb -0.02 -1.56 -0.15 0.00 -1.45 0.00 0.00 41.25 38.07 2dmd s ASN 76 CO 0.70 -2.58 0.10 -0.24 -3.72 0.00 0.00 177.10 171.36 2dmd n SER 77 N -3.78 1.85 0.07 -4.21 2.88 -1.26 -4.17 113.62 105.00 2dmd n SER 77 Ca 0.06 0.47 -0.16 0.00 -1.33 0.00 0.00 58.87 57.92 2dmd n SER 77 Cb 0.59 -0.94 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2dmd n SER 77 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmd h SER 78 N -1.00 -1.59 -0.88 -3.46 0.87 -1.99 -0.12 113.55 105.39 2dmd h SER 78 Ca -0.28 0.18 0.15 0.00 -1.23 0.00 0.00 61.79 60.61 2dmd h SER 78 Cb 1.13 0.60 -0.15 0.00 -0.44 0.00 0.00 62.40 63.53 2dmd h SER 78 CO -0.17 -0.53 -0.29 0.00 -0.53 0.00 0.00 176.83 175.32 2dmd n GLN 79 N -5.47 -0.15 -0.16 2.24 6.02 -1.26 0.95 117.38 119.55 2dmd n GLN 79 Ca -0.07 1.36 -0.09 0.00 -0.01 0.00 0.00 57.00 58.19 2dmd n GLN 79 Cb 0.40 -2.03 -0.00 0.00 1.02 0.00 0.00 30.24 29.63 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dmd h LEU 80 N 0.00 0.71 -0.49 1.08 5.85 -1.54 -0.67 115.31 120.25 2dmd h LEU 80 Ca 0.36 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2dmd h LEU 80 Cb 0.58 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2dmd h LEU 80 CO -0.89 0.78 -0.13 0.74 -0.34 0.00 0.00 178.44 178.60 2dmd h THR 81 N 0.62 0.49 -0.23 1.05 2.02 0.24 -1.46 112.91 115.65 2dmd h THR 81 Ca 0.14 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 2dmd h THR 81 Cb 0.36 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2dmd h THR 81 CO 0.01 0.00 -0.52 0.58 0.37 0.00 0.00 175.52 175.96 2dmd h VAL 82 N -0.01 1.30 -0.87 3.16 2.07 -1.08 -3.20 116.25 117.62 2dmd h VAL 82 Ca 0.24 -1.73 0.21 0.00 0.82 0.00 0.00 66.70 66.24 2dmd h VAL 82 Cb 0.37 1.80 -0.12 0.00 -1.52 0.00 0.00 31.29 31.81 2dmd h VAL 82 CO -0.51 0.55 0.35 -0.74 0.02 0.00 0.00 177.57 177.24 2dmd h HIS 83 N 0.48 0.58 -0.15 1.57 6.17 -0.25 -0.65 115.15 122.90 2dmd h HIS 83 Ca -0.00 0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.17 2dmd h HIS 83 Cb 1.13 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.89 2dmd h HIS 83 CO 0.08 -0.05 -0.19 -0.07 0.71 0.00 0.00 177.93 178.41 2dmd h LEU 84 N 0.38 -0.60 -0.98 0.26 3.38 -1.29 -1.67 115.31 114.78 2dmd h LEU 84 Ca 0.53 0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.94 2dmd h LEU 84 Cb 0.99 0.28 -0.18 0.00 0.09 0.00 0.00 40.66 41.85 2dmd h LEU 84 CO -0.53 -0.24 0.28 0.03 0.09 0.00 0.00 178.44 178.07 2dmd h ARG 85 N -0.23 0.05 -0.98 1.13 3.08 -1.22 0.48 114.38 116.69 2dmd h ARG 85 Ca 0.11 -0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.48 2dmd h ARG 85 Cb 0.39 -0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.26 2dmd h ARG 85 CO -0.29 0.03 0.33 1.03 -1.07 0.00 0.00 179.97 180.01 2dmd h SER 86 N 0.05 0.04 -0.58 7.04 0.87 -1.29 -3.25 113.55 116.43 2dmd h SER 86 Ca 0.70 0.25 -0.29 0.00 -1.23 0.00 0.00 61.79 61.22 2dmd h SER 86 Cb 1.64 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 63.87 2dmd h SER 86 CO -0.81 -0.32 0.82 -1.00 -0.53 0.00 0.00 176.83 174.99 2dmd s HIS 87 N -5.76 1.83 -0.16 2.24 3.76 0.17 -4.67 115.29 112.70 2dmd s HIS 87 Ca -0.11 0.66 -0.12 0.00 -0.15 0.00 0.00 55.06 55.35 2dmd s HIS 87 Cb 0.31 -3.98 -0.23 0.00 1.11 0.00 0.00 32.58 29.78 2dmd s HIS 87 CO 0.78 -1.49 0.28 0.25 -0.85 0.00 0.00 174.74 173.71 2dmd n THR 88 N 7.91 1.69 -3.68 1.30 -2.24 -1.23 -4.98 114.28 113.05 2dmd n THR 88 Ca 0.42 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 2dmd n THR 88 Cb 0.47 -1.83 -0.09 0.00 -2.10 0.00 0.00 70.33 66.78 2dmd n THR 88 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dmd s GLY 89 N -5.37 -0.44 0.12 3.38 0.00 -1.26 -5.13 107.32 98.62 2dmd s GLY 89 Ca -0.25 1.72 -0.33 0.00 0.00 0.00 0.00 44.72 45.86 2dmd s GLY 89 CO 0.70 1.62 0.78 1.22 0.00 0.00 0.00 173.10 177.41 2dmd n ASP 90 N 3.35 -0.56 -4.56 1.64 8.00 -1.26 -4.80 116.55 118.35 2dmd n ASP 90 Ca -0.17 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.06 2dmd n ASP 90 Cb 0.56 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2dmd n ASP 90 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dmd s SER 91 N -0.55 6.15 0.00 -2.24 0.15 -1.26 -4.78 113.70 111.16 2dmd s SER 91 Ca 0.75 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2dmd s SER 91 Cb -1.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 60.71 2dmd s SER 91 CO 0.56 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.85 2dmd n GLY 92 N 5.30 2.36 0.00 9.45 0.00 -1.26 -4.74 105.19 116.30 2dmd n GLY 92 Ca 0.08 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.42 2dmd n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmd n PRO 93 N 1.59 0.24 -3.09 1.61 -0.04 -1.26 -4.49 135.00 129.56 2dmd n PRO 93 Ca 0.00 0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 63.14 2dmd n PRO 93 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2dmd n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmd s SER 94 N -2.50 6.20 -0.17 3.54 0.01 -1.26 -5.03 113.70 114.48 2dmd s SER 94 Ca 0.15 -1.44 -0.08 0.00 1.31 0.00 0.00 55.95 55.89 2dmd s SER 94 Cb 0.10 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2dmd s SER 94 CO 0.22 -1.13 0.11 -0.44 0.41 0.00 0.00 173.24 172.41 2dmd s SER 95 N 3.62 6.09 0.00 2.44 0.01 -1.26 -4.96 113.70 119.63 2dmd s SER 95 Ca 0.13 0.25 0.31 0.00 1.31 0.00 0.00 55.95 57.95 2dmd s SER 95 Cb -0.23 -2.03 1.77 0.00 0.21 0.00 0.00 66.02 65.74 2dmd s SER 95 CO 0.06 0.24 2.15 0.61 0.41 0.00 0.00 173.24 176.71