#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd s SER 2 N 0.00 -0.15 0.35 1.61 1.04 -1.26 -5.19 113.70 110.11 2dmd s SER 2 Ca 0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.78 2dmd s SER 2 Cb 0.00 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 2dmd s SER 2 CO 0.00 -1.27 0.11 -0.94 0.98 0.00 0.00 173.24 172.12 2dmd s SER 3 N -3.01 2.34 0.00 7.02 1.04 -1.26 -5.17 113.70 114.66 2dmd s SER 3 Ca 0.13 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2dmd s SER 3 Cb -0.04 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2dmd s SER 3 CO 0.07 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2dmd n GLY 4 N -0.76 4.75 3.40 7.32 0.00 -1.26 -5.19 105.19 113.46 2dmd n GLY 4 Ca -0.03 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmd s SER 5 N 1.25 -0.03 0.17 1.61 0.01 -1.26 -5.18 113.70 110.27 2dmd s SER 5 Ca 0.00 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 2dmd s SER 5 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2dmd s SER 5 CO 0.00 -0.96 0.27 -0.44 0.41 0.00 0.00 173.24 172.53 2dmd s SER 6 N -2.97 0.06 0.04 2.44 0.01 -1.26 -5.18 113.70 106.84 2dmd s SER 6 Ca 0.17 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.53 2dmd s SER 6 Cb 0.02 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.68 2dmd s SER 6 CO 0.01 -0.89 0.03 0.61 0.41 0.00 0.00 173.24 173.41 2dmd n GLY 7 N -0.22 3.92 3.77 3.44 0.00 -1.26 -5.14 105.19 109.69 2dmd n GLY 7 Ca -0.07 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 2dmd n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 8 N -2.17 3.97 -0.14 1.61 0.04 -1.26 -4.70 135.00 132.34 2dmd s PRO 8 Ca 0.04 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2dmd s PRO 8 Cb 0.00 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.95 2dmd s PRO 8 CO 0.03 -0.39 -0.11 -1.01 0.04 0.00 0.00 177.00 175.56 2dmd s HIS 9 N -1.43 1.91 -0.26 0.56 3.76 -1.26 -5.07 115.29 113.50 2dmd s HIS 9 Ca 0.59 -1.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2dmd s HIS 9 Cb -0.31 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 31.94 2dmd s HIS 9 CO 0.39 -0.62 0.02 0.21 -0.85 0.00 0.00 174.74 173.89 2dmd s LYS 10 N 1.57 3.18 0.13 1.40 2.20 -1.26 -3.71 119.74 123.25 2dmd s LYS 10 Ca 0.04 -0.78 -0.33 0.00 -0.36 0.00 0.00 55.97 54.54 2dmd s LYS 10 Cb -0.13 -3.18 -0.13 0.00 -1.51 0.00 0.00 37.83 32.88 2dmd s LYS 10 CO -0.09 -0.34 1.67 0.00 -0.36 0.00 0.00 175.35 176.23 2dmd n GLU 12 N 4.18 0.65 -0.33 0.00 0.28 -1.26 -2.06 120.64 122.10 2dmd n GLU 12 Ca 0.18 0.13 0.19 0.00 -0.16 0.00 0.00 57.16 57.49 2dmd n GLU 12 Cb 0.31 -1.51 0.40 0.00 1.43 0.00 0.00 31.44 32.07 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 2dmd h VAL 13 N 0.00 0.39 0.00 3.84 -1.51 -1.98 -3.09 116.25 113.90 2dmd h VAL 13 Ca -0.56 -0.13 -0.13 0.00 -1.23 0.00 0.00 66.70 64.65 2dmd h VAL 13 Cb 1.92 -0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 2dmd h VAL 13 CO -0.07 0.07 -1.50 0.00 -1.23 0.00 0.00 177.57 174.83 2dmd n GLY 15 N 2.92 1.62 3.78 0.00 0.00 -0.88 -5.10 105.19 107.54 2dmd n GLY 15 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.46 4.17 0.00 1.61 2.20 -1.07 -4.91 119.74 121.28 2dmd s LYS 16 Ca 0.00 0.54 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 2dmd s LYS 16 Cb 0.00 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 2dmd s LYS 16 CO 0.00 0.46 0.46 0.00 -0.36 0.00 0.00 175.35 175.91 2dmd s PHE 18 N -0.82 0.20 -0.01 0.00 0.08 -1.24 -4.97 117.98 111.22 2dmd s PHE 18 Ca 0.25 0.03 -0.22 0.00 0.12 0.00 0.00 56.93 57.11 2dmd s PHE 18 Cb -0.17 -0.28 -0.21 0.00 -0.57 0.00 0.00 43.02 41.79 2dmd s PHE 18 CO 0.14 -0.08 1.14 0.77 -0.10 0.00 0.00 175.22 177.09 2dmd h SER 19 N 6.95 0.33 -4.02 1.36 0.02 -1.98 -3.36 113.55 112.85 2dmd h SER 19 Ca -0.39 -0.69 -0.47 0.00 -0.84 0.00 0.00 61.79 59.41 2dmd h SER 19 Cb 1.15 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2dmd h SER 19 CO 0.49 0.96 0.29 -0.13 -1.14 0.00 0.00 176.83 177.30 2dmd s ARG 20 N -3.49 4.03 0.08 3.45 1.81 -1.26 -4.65 118.95 118.92 2dmd s ARG 20 Ca -0.15 0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 54.74 2dmd s ARG 20 Cb 0.03 -2.23 -0.27 0.00 -0.45 0.00 0.00 34.95 32.02 2dmd s ARG 20 CO 0.76 -0.10 1.16 -0.22 -0.68 0.00 0.00 175.30 176.22 2dmd h LYS 21 N 1.50 0.24 0.00 3.54 3.64 -1.87 -3.31 116.57 120.30 2dmd h LYS 21 Ca -0.48 -0.41 -0.26 0.00 -1.27 0.00 0.00 60.65 58.24 2dmd h LYS 21 Cb 1.18 0.15 0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2dmd h LYS 21 CO 0.62 1.19 -1.00 0.38 -2.27 0.00 0.00 179.45 178.38 2dmd h ASP 22 N 0.06 0.88 -0.67 4.20 3.04 -1.97 -2.74 116.42 119.22 2dmd h ASP 22 Ca -0.12 -0.74 0.14 0.00 -3.24 0.00 0.00 57.03 53.07 2dmd h ASP 22 Cb 1.95 -0.27 -0.11 0.00 -1.04 0.00 0.00 39.33 39.86 2dmd h ASP 22 CO 0.19 1.50 0.01 0.11 -2.04 0.00 0.00 179.24 179.02 2dmd h LYS 23 N 0.34 0.12 -0.11 4.15 1.57 -1.98 0.06 116.57 120.71 2dmd h LYS 23 Ca -0.12 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.45 2dmd h LYS 23 Cb 1.66 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.94 2dmd h LYS 23 CO 0.20 0.08 -0.74 1.25 -0.57 0.00 0.00 179.45 179.66 2dmd h LEU 24 N 0.12 0.67 0.27 2.94 6.46 -1.65 -1.91 115.31 122.22 2dmd h LEU 24 Ca 0.36 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2dmd h LEU 24 Cb 0.60 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 2dmd h LEU 24 CO -0.57 1.20 -0.52 0.11 -0.62 0.00 0.00 178.44 178.03 2dmd h LYS 25 N 0.39 -0.83 -0.45 1.25 1.57 -0.72 -2.46 116.57 115.33 2dmd h LYS 25 Ca -0.04 0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2dmd h LYS 25 Cb 1.34 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 2dmd h LYS 25 CO 0.14 -0.55 -0.15 1.15 -0.57 0.00 0.00 179.45 179.47 2dmd h THR 26 N -0.86 1.27 -1.15 -0.16 2.02 -1.30 -2.92 112.91 109.80 2dmd h THR 26 Ca -0.03 -1.26 0.34 0.00 0.77 0.00 0.00 66.41 66.22 2dmd h THR 26 Cb 0.81 1.08 -0.11 0.00 -1.74 0.00 0.00 68.15 68.19 2dmd h THR 26 CO -0.20 0.43 0.74 -0.74 0.37 0.00 0.00 175.52 176.12 2dmd h HIS 27 N 0.76 0.58 -0.67 3.16 -0.00 -0.97 0.74 115.15 118.75 2dmd h HIS 27 Ca 0.12 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.59 2dmd h HIS 27 Cb 0.67 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 2dmd h HIS 27 CO 0.04 -0.05 0.44 0.52 -0.00 0.00 0.00 177.93 178.88 2dmd h MET 28 N 0.26 0.60 -0.63 5.26 2.86 -1.24 -2.68 114.93 119.35 2dmd h MET 28 Ca 0.68 -0.04 0.24 0.00 -2.06 0.00 0.00 59.70 58.53 2dmd h MET 28 Cb 1.95 -0.13 -0.12 0.00 0.06 0.00 0.00 31.60 33.36 2dmd h MET 28 CO -0.34 0.39 0.24 0.54 1.06 0.00 0.00 176.91 178.81 2dmd n ARG 29 N -4.48 -0.04 0.31 1.72 1.74 0.26 0.30 116.66 116.46 2dmd n ARG 29 Ca 0.10 0.89 -0.12 0.00 -0.77 0.00 0.00 57.85 57.96 2dmd n ARG 29 Cb 0.29 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmd n HIS 31 N -4.11 0.00 -3.53 0.00 8.25 0.15 -4.69 115.22 111.28 2dmd n HIS 31 Ca -0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.36 2dmd n HIS 31 Cb 0.31 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.85 -0.49 0.00 1.59 -1.32 -1.13 -4.96 115.64 106.48 2dmd s THR 32 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2dmd s THR 32 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2dmd s THR 32 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2dmd n GLY 33 N 4.80 0.75 3.04 6.08 0.00 -1.25 -4.75 105.19 113.87 2dmd n GLY 33 Ca -0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2dmd n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmd s VAL 34 N 0.44 2.67 -0.18 1.61 -7.23 -1.26 -5.07 120.40 111.38 2dmd s VAL 34 Ca 0.00 -2.46 0.00 0.00 -1.81 0.00 0.00 61.98 57.72 2dmd s VAL 34 Cb 0.00 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 34.08 2dmd s VAL 34 CO 0.00 -0.67 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.48 2dmd s LYS 35 N 0.73 1.95 0.31 4.82 3.01 -1.26 -5.00 119.74 124.29 2dmd s LYS 35 Ca 0.12 -0.68 0.10 0.00 -1.01 0.00 0.00 55.97 54.49 2dmd s LYS 35 Cb -0.21 -2.22 0.50 0.00 -1.01 0.00 0.00 37.83 34.89 2dmd s LYS 35 CO -0.06 -0.38 1.71 -1.00 0.51 0.00 0.00 175.35 176.14 2dmd h PRO 36 N 8.03 0.08 -4.84 -1.68 0.13 -1.90 -3.38 132.00 128.44 2dmd h PRO 36 Ca -0.30 -0.04 -0.71 0.00 -0.87 0.00 0.00 66.00 64.09 2dmd h PRO 36 Cb 1.11 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.05 2dmd h PRO 36 CO 0.47 0.54 0.71 0.71 -0.23 0.00 0.00 178.00 180.20 2dmd s TYR 37 N -3.96 3.22 -0.02 1.56 2.02 -1.25 -4.99 117.35 113.92 2dmd s TYR 37 Ca -0.03 -1.48 0.05 0.00 -0.37 0.00 0.00 57.07 55.25 2dmd s TYR 37 Cb 0.13 -4.21 -0.01 0.00 -0.40 0.00 0.00 41.96 37.48 2dmd s TYR 37 CO 0.75 -1.41 -0.17 0.15 -1.57 0.00 0.00 175.55 173.31 2dmd s LYS 38 N 2.30 1.40 0.50 -0.62 1.02 -1.26 -1.61 119.74 121.47 2dmd s LYS 38 Ca 0.30 -0.59 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 2dmd s LYS 38 Cb -0.06 -1.33 -0.06 0.00 -0.52 0.00 0.00 37.83 35.86 2dmd s LYS 38 CO -0.09 0.34 1.31 0.00 -0.92 0.00 0.00 175.35 175.99 2dmd h LYS 40 N 1.81 -0.06 0.02 0.00 1.57 -2.00 -3.36 116.57 114.55 2dmd h LYS 40 Ca -0.50 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2dmd h LYS 40 Cb 1.28 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2dmd h LYS 40 CO 0.59 0.44 -0.01 1.15 -0.57 0.00 0.00 179.45 181.05 2dmd h THR 41 N -0.59 1.41 -3.82 -0.16 2.02 -2.03 -3.47 112.91 106.27 2dmd h THR 41 Ca -0.01 -1.86 -0.46 0.00 0.77 0.00 0.00 66.41 64.85 2dmd h THR 41 Cb 0.53 2.57 0.10 0.00 -1.74 0.00 0.00 68.15 69.61 2dmd h THR 41 CO 0.01 0.44 0.30 0.00 0.37 0.00 0.00 175.52 176.64 2dmd n ASP 43 N -3.19 5.31 -4.75 0.00 8.00 -1.26 -4.16 116.55 116.50 2dmd n ASP 43 Ca 0.10 -3.75 -0.40 0.00 0.71 0.00 0.00 54.79 51.45 2dmd n ASP 43 Cb 0.60 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dmd s TYR 44 N -3.63 3.72 -0.26 1.24 5.04 -1.26 -4.96 117.35 117.24 2dmd s TYR 44 Ca 0.53 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 56.47 2dmd s TYR 44 Cb 0.42 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 2dmd s TYR 44 CO 0.01 0.28 0.15 0.00 -1.34 0.00 0.00 175.55 174.65 2dmd s ALA 45 N -0.06 3.46 -0.15 3.97 0.00 -1.26 -3.36 121.76 124.36 2dmd s ALA 45 Ca 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2dmd s ALA 45 Cb -0.20 -2.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2dmd s ALA 45 CO 0.22 -0.39 -0.16 0.00 0.00 0.00 0.00 175.76 175.43 2dmd s ALA 46 N 1.45 2.48 0.01 0.00 0.00 -0.64 -5.03 121.76 120.04 2dmd s ALA 46 Ca 0.07 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 2dmd s ALA 46 Cb -0.15 -1.20 -0.16 0.00 0.00 0.00 0.00 23.12 21.61 2dmd s ALA 46 CO 0.07 -0.01 1.23 0.00 0.00 0.00 0.00 175.76 177.05 2dmd h ALA 47 N 7.26 -0.57 -2.83 0.00 0.00 -1.97 -3.34 119.26 117.82 2dmd h ALA 47 Ca -0.32 -0.19 -0.63 0.00 0.00 0.00 0.00 54.91 53.78 2dmd h ALA 47 Cb 1.19 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2dmd h ALA 47 CO 0.56 -0.66 -0.47 0.34 0.00 0.00 0.00 179.25 179.02 2dmd s ASP 48 N -4.89 6.39 0.21 0.00 -1.08 -1.26 -4.83 116.67 111.20 2dmd s ASP 48 Ca -0.14 0.36 -0.11 0.00 -0.52 0.00 0.00 52.55 52.13 2dmd s ASP 48 Cb 0.02 -2.00 0.28 0.00 -1.46 0.00 0.00 42.92 39.76 2dmd s ASP 48 CO 0.52 0.22 1.66 0.28 0.52 0.00 0.00 175.17 178.36 2dmd h SER 49 N 3.54 -0.33 -0.78 -0.34 0.02 -1.97 -1.54 113.55 112.15 2dmd h SER 49 Ca -0.48 0.16 0.13 0.00 -0.84 0.00 0.00 61.79 60.76 2dmd h SER 49 Cb 1.18 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 63.87 2dmd h SER 49 CO 0.71 -0.13 -0.36 0.77 -1.14 0.00 0.00 176.83 176.68 2dmd h SER 50 N 0.09 -1.30 -0.93 3.07 4.64 -1.98 0.39 113.55 117.54 2dmd h SER 50 Ca 0.32 0.27 0.27 0.00 -0.47 0.00 0.00 61.79 62.17 2dmd h SER 50 Cb 0.51 0.66 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 2dmd h SER 50 CO -0.55 -0.30 0.25 0.28 -0.87 0.00 0.00 176.83 175.64 2dmd h SER 51 N -0.09 -0.04 -0.04 4.97 0.02 -1.67 0.17 113.55 116.88 2dmd h SER 51 Ca 0.28 0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 61.31 2dmd h SER 51 Cb 0.57 0.31 0.01 0.00 0.14 0.00 0.00 62.40 63.43 2dmd h SER 51 CO -0.82 -0.23 -0.54 0.25 -1.14 0.00 0.00 176.83 174.34 2dmd h LEU 52 N 0.15 0.54 -1.54 5.07 5.85 -0.39 -2.82 115.31 122.17 2dmd h LEU 52 Ca 0.61 -0.71 0.29 0.00 0.84 0.00 0.00 57.88 58.90 2dmd h LEU 52 Cb 1.31 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 2dmd h LEU 52 CO -0.73 1.18 0.71 0.78 -0.34 0.00 0.00 178.44 180.04 2dmd h ASN 53 N -0.05 0.32 0.71 1.25 2.35 0.18 0.46 115.58 120.80 2dmd h ASN 53 Ca -0.06 0.06 -0.26 0.00 -0.55 0.00 0.00 56.30 55.50 2dmd h ASN 53 Cb 1.23 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 2dmd h ASN 53 CO 0.11 0.05 -1.26 0.50 -1.65 0.00 0.00 177.43 175.18 2dmd h LYS 54 N 0.28 0.14 -0.45 0.81 3.11 -1.23 -3.23 116.57 115.99 2dmd h LYS 54 Ca 0.58 -0.24 -0.14 0.00 -2.81 0.00 0.00 60.65 58.05 2dmd h LYS 54 Cb 1.72 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 33.02 2dmd h LYS 54 CO -0.22 1.05 -0.25 1.25 -2.81 0.00 0.00 179.45 178.46 2dmd h HIS 55 N 0.04 1.11 0.00 1.91 2.76 0.01 -2.76 115.15 118.22 2dmd h HIS 55 Ca -0.13 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 57.73 2dmd h HIS 55 Cb 1.91 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 30.61 2dmd h HIS 55 CO 0.03 1.10 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.56 2dmd h LEU 56 N 0.82 0.00 -0.20 0.26 3.38 -0.78 -2.93 115.31 115.86 2dmd h LEU 56 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2dmd h LEU 56 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2dmd h LEU 56 CO 0.07 0.13 -0.08 0.03 0.09 0.00 0.00 178.44 178.68 2dmd h ARG 57 N 0.00 0.41 -1.12 1.13 3.08 -1.50 -3.00 114.38 113.38 2dmd h ARG 57 Ca -0.00 -0.17 0.31 0.00 0.07 0.00 0.00 59.98 60.18 2dmd h ARG 57 Cb 0.46 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 2dmd h ARG 57 CO 0.02 0.69 0.73 -0.84 -1.07 0.00 0.00 179.97 179.51 2dmd h ILE 58 N 0.11 0.43 -2.57 2.04 3.07 -1.48 -3.41 117.51 115.70 2dmd h ILE 58 Ca 0.05 -0.09 -0.22 0.00 1.55 0.00 0.00 64.86 66.15 2dmd h ILE 58 Cb 0.56 0.13 0.10 0.00 -0.27 0.00 0.00 36.82 37.35 2dmd h ILE 58 CO 0.03 0.05 0.09 1.41 -1.05 0.00 0.00 178.15 178.68 2dmd n HIS 59 N -4.57 -3.56 -3.84 0.16 8.25 -1.14 -5.05 115.22 105.48 2dmd n HIS 59 Ca 0.28 -0.55 -0.30 0.00 -0.26 0.00 0.00 57.72 56.89 2dmd n HIS 59 Cb 1.04 -0.60 -0.15 0.00 1.12 0.00 0.00 29.99 31.40 2dmd n HIS 59 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dmd s SER 60 N -3.17 4.30 0.04 0.41 0.01 -1.26 -5.07 113.70 108.97 2dmd s SER 60 Ca 0.38 -1.83 0.02 0.00 1.31 0.00 0.00 55.95 55.83 2dmd s SER 60 Cb -0.03 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 2dmd s SER 60 CO 0.29 -0.40 -0.07 -1.81 0.41 0.00 0.00 173.24 171.66 2dmd s ASP 61 N 1.35 0.72 -0.02 2.44 1.11 -1.26 -5.07 116.67 115.94 2dmd s ASP 61 Ca 0.10 -0.56 -0.26 0.00 0.18 0.00 0.00 52.55 52.02 2dmd s ASP 61 Cb -0.18 0.05 -0.20 0.00 1.07 0.00 0.00 42.92 43.67 2dmd s ASP 61 CO -0.19 -0.24 1.26 -0.33 1.18 0.00 0.00 175.17 176.86 2dmd h GLU 62 N 4.47 -0.02 -6.58 8.23 4.39 -1.98 -3.46 114.58 119.63 2dmd h GLU 62 Ca -0.35 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.02 2dmd h GLU 62 Cb 1.20 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2dmd h GLU 62 CO 0.42 0.45 -0.54 2.89 -1.16 0.00 0.00 179.01 181.07 2dmd n ARG 63 N -4.87 -0.81 0.00 2.33 -4.01 -1.26 -4.71 116.66 103.33 2dmd n ARG 63 Ca -0.08 -0.06 0.07 0.00 -1.04 0.00 0.00 57.85 56.74 2dmd n ARG 63 Cb 0.25 -1.49 0.36 0.00 -3.04 0.00 0.00 32.46 28.53 2dmd n ARG 63 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 2dmd n PRO 64 N -3.05 0.18 -4.31 2.89 -0.04 -1.26 -4.69 135.00 124.71 2dmd n PRO 64 Ca -0.13 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 2dmd n PRO 64 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 2dmd n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmd s PHE 65 N -2.63 3.09 0.04 0.54 0.40 -1.25 -5.10 117.98 113.08 2dmd s PHE 65 Ca 0.13 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.53 2dmd s PHE 65 Cb 0.10 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 2dmd s PHE 65 CO 0.23 0.46 0.04 0.15 0.70 0.00 0.00 175.22 176.80 2dmd s LYS 66 N -1.39 0.55 0.06 0.44 3.01 -1.26 -3.55 119.74 117.60 2dmd s LYS 66 Ca 0.18 -0.86 0.01 0.00 -1.01 0.00 0.00 55.97 54.29 2dmd s LYS 66 Cb -0.11 0.21 -0.04 0.00 -1.01 0.00 0.00 37.83 36.87 2dmd s LYS 66 CO 0.08 -0.12 0.15 0.00 0.51 0.00 0.00 175.35 175.97 2dmd h GLN 68 N 3.22 -0.13 -0.01 0.00 4.20 -1.98 -3.39 115.11 117.02 2dmd h GLN 68 Ca -0.46 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.27 2dmd h GLN 68 Cb 1.16 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 2dmd h GLN 68 CO 0.71 -0.09 -0.34 0.82 -0.67 0.00 0.00 178.83 179.27 2dmd h ILE 69 N -0.88 0.00 -3.03 2.54 5.03 -2.00 -3.42 117.51 115.75 2dmd h ILE 69 Ca -0.01 0.00 -0.62 0.00 -0.12 0.00 0.00 64.86 64.11 2dmd h ILE 69 Cb 0.10 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.79 2dmd h ILE 69 CO 0.02 0.00 -0.63 0.00 -0.68 0.00 0.00 178.15 176.87 2dmd n PRO 71 N 0.12 0.49 -1.00 0.00 -0.04 -1.26 -3.86 135.00 129.44 2dmd n PRO 71 Ca -0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 2dmd n PRO 71 Cb 0.53 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.88 -3.83 -3.77 0.54 9.36 -1.26 -4.69 117.16 112.63 2dmd n TYR 72 Ca 0.09 0.10 -0.13 0.00 3.32 0.00 0.00 57.90 61.28 2dmd n TYR 72 Cb 0.04 -1.57 -0.09 0.00 -0.63 0.00 0.00 39.34 37.09 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 -2.08 -0.75 0.01 2.98 0.00 -1.26 -2.84 121.76 117.81 2dmd s ALA 73 Ca 0.47 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 2dmd s ALA 73 Cb -0.24 0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2dmd s ALA 73 CO 0.76 -0.25 0.18 0.45 0.00 0.00 0.00 175.76 176.90 2dmd s SER 74 N -1.28 -0.01 0.04 0.00 0.15 -1.23 -5.06 113.70 106.31 2dmd s SER 74 Ca -0.13 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 2dmd s SER 74 Cb -0.05 0.24 -0.34 0.00 -1.71 0.00 0.00 66.02 64.16 2dmd s SER 74 CO 0.04 -0.42 1.03 0.08 1.20 0.00 0.00 173.24 175.17 2dmd h ARG 75 N 4.04 0.54 -6.02 5.44 0.11 -1.92 -3.31 114.38 113.26 2dmd h ARG 75 Ca -0.31 -0.88 -0.63 0.00 0.10 0.00 0.00 59.98 58.26 2dmd h ARG 75 Cb 1.19 0.32 -0.06 0.00 1.11 0.00 0.00 29.97 32.52 2dmd h ARG 75 CO 0.42 1.42 -0.54 0.54 0.10 0.00 0.00 179.97 181.90 2dmd s ASN 76 N -7.53 5.99 0.02 0.08 2.20 -1.26 -4.75 114.94 109.68 2dmd s ASN 76 Ca -0.09 0.16 -0.23 0.00 -0.94 0.00 0.00 52.86 51.76 2dmd s ASN 76 Cb 0.05 -1.75 -0.17 0.00 -2.00 0.00 0.00 41.25 37.37 2dmd s ASN 76 CO 0.94 0.19 1.37 0.77 -2.94 0.00 0.00 177.10 177.42 2dmd h SER 77 N 3.29 0.14 -0.78 3.54 4.64 -2.00 -3.28 113.55 119.10 2dmd h SER 77 Ca -0.46 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 60.52 2dmd h SER 77 Cb 1.16 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 2dmd h SER 77 CO 0.71 0.52 -0.45 -1.20 -0.87 0.00 0.00 176.83 175.53 2dmd n SER 78 N -4.79 -0.81 -0.23 4.97 7.64 -1.26 0.11 113.62 119.26 2dmd n SER 78 Ca -0.07 1.38 0.03 0.00 1.01 0.00 0.00 58.87 61.22 2dmd n SER 78 Cb 0.25 -0.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.41 2dmd n SER 78 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dmd h GLN 79 N 0.00 0.15 -0.08 1.43 4.20 -2.00 -0.93 115.11 117.87 2dmd h GLN 79 Ca 0.13 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2dmd h GLN 79 Cb 0.32 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2dmd h GLN 79 CO -0.73 0.10 0.05 1.25 -0.67 0.00 0.00 178.83 178.83 2dmd h LEU 80 N 0.15 0.10 -0.77 1.46 5.85 0.74 0.15 115.31 122.99 2dmd h LEU 80 Ca 0.37 -0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.19 2dmd h LEU 80 Cb 0.63 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.50 2dmd h LEU 80 CO -0.56 0.14 -0.10 0.74 -0.34 0.00 0.00 178.44 178.32 2dmd h THR 81 N 0.05 0.27 0.16 1.05 2.02 0.63 -1.37 112.91 115.73 2dmd h THR 81 Ca 0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2dmd h THR 81 Cb 0.06 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2dmd h THR 81 CO -0.00 0.01 -0.08 0.58 0.37 0.00 0.00 175.52 176.39 2dmd h VAL 82 N 0.04 0.49 -0.72 3.16 2.07 -1.25 -3.30 116.25 116.73 2dmd h VAL 82 Ca 0.40 -1.08 0.26 0.00 0.82 0.00 0.00 66.70 67.09 2dmd h VAL 82 Cb 0.66 0.86 -0.13 0.00 -1.52 0.00 0.00 31.29 31.16 2dmd h VAL 82 CO -0.74 0.14 0.23 1.57 0.02 0.00 0.00 177.57 178.79 2dmd n HIS 83 N -4.91 0.69 -0.03 1.57 -0.00 0.51 0.18 115.22 113.23 2dmd n HIS 83 Ca -0.06 0.86 -0.09 0.00 -0.00 0.00 0.00 57.72 58.44 2dmd n HIS 83 Cb 0.20 -1.18 -0.03 0.00 -0.00 0.00 0.00 29.99 28.98 2dmd n HIS 83 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dmd h LEU 84 N 0.00 -0.24 -0.82 0.27 3.38 -1.34 -2.25 115.31 114.31 2dmd h LEU 84 Ca 0.54 0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.84 2dmd h LEU 84 Cb 1.33 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.07 2dmd h LEU 84 CO -0.61 -0.09 0.16 0.54 0.09 0.00 0.00 178.44 178.52 2dmd n ARG 85 N -5.22 -0.06 -0.19 1.13 1.74 0.46 0.11 116.66 114.64 2dmd n ARG 85 Ca -0.03 1.19 -0.02 0.00 -0.77 0.00 0.00 57.85 58.23 2dmd n ARG 85 Cb 0.14 -1.97 0.05 0.00 -1.02 0.00 0.00 32.46 29.66 2dmd n ARG 85 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2dmd h SER 86 N 0.00 -0.54 0.19 0.55 0.02 -1.45 -2.90 113.55 109.41 2dmd h SER 86 Ca 0.56 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.68 2dmd h SER 86 Cb 1.29 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2dmd h SER 86 CO -0.72 -0.19 -0.09 0.45 -1.14 0.00 0.00 176.83 175.14 2dmd h HIS 87 N 0.00 -0.23 -1.94 3.45 3.86 0.68 -3.45 115.15 117.53 2dmd h HIS 87 Ca 0.28 -0.01 -0.49 0.00 -1.16 0.00 0.00 60.37 58.99 2dmd h HIS 87 Cb 0.42 0.08 0.24 0.00 1.06 0.00 0.00 27.41 29.21 2dmd h HIS 87 CO -0.48 -0.14 -1.71 0.25 0.86 0.00 0.00 177.93 176.71 2dmd n THR 88 N -2.67 0.00 0.00 2.45 -2.24 -1.10 -4.80 114.28 105.92 2dmd n THR 88 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2dmd n THR 88 Cb 0.10 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2dmd n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmd n GLY 89 N 2.66 -1.70 3.42 3.38 0.00 -1.26 -4.73 105.19 106.96 2dmd n GLY 89 Ca 0.00 -1.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.03 2dmd n GLY 89 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dmd s ASP 90 N -3.90 6.80 -0.02 1.61 -4.77 -1.26 -4.67 116.67 110.45 2dmd s ASP 90 Ca 0.00 -2.49 -0.01 0.00 -3.30 0.00 0.00 52.55 46.75 2dmd s ASP 90 Cb 0.00 -2.34 -0.01 0.00 -1.09 0.00 0.00 42.92 39.47 2dmd s ASP 90 CO 0.00 -0.84 -0.03 -1.20 0.70 0.00 0.00 175.17 173.80 2dmd n SER 91 N 5.53 0.20 0.00 2.11 7.64 -1.26 -5.10 113.62 122.74 2dmd n SER 91 Ca 0.24 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2dmd n SER 91 Cb 0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2dmd n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmd n GLY 92 N 2.86 0.66 0.06 0.23 0.00 -1.26 -5.07 105.19 102.68 2dmd n GLY 92 Ca -0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2dmd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmd h PRO 93 N 0.00 -0.02 -1.50 1.61 0.13 -1.94 -3.49 132.00 126.80 2dmd h PRO 93 Ca 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.41 2dmd h PRO 93 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 2dmd h PRO 93 CO 0.00 0.45 0.81 -1.54 -0.23 0.00 0.00 178.00 177.49 2dmd s SER 94 N -5.66 -0.11 0.28 1.44 1.04 -1.26 -5.14 113.70 104.29 2dmd s SER 94 Ca -0.16 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 2dmd s SER 94 Cb 0.02 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 66.14 2dmd s SER 94 CO 0.66 -0.28 0.57 -0.24 0.98 0.00 0.00 173.24 174.93 2dmd n SER 95 N -0.26 -0.88 0.00 7.02 2.88 -1.26 -5.22 113.62 115.89 2dmd n SER 95 Ca -0.03 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2dmd n SER 95 Cb 0.60 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42