#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 1.29 0.36 1.61 0.01 -1.26 -5.17 113.70 110.53 2dmd s SER 2 Ca 0.00 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.09 2dmd s SER 2 Cb 0.00 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 2dmd s SER 2 CO 0.00 -0.60 0.03 -0.94 0.41 0.00 0.00 173.24 172.14 2dmd s SER 3 N -3.22 3.05 0.46 2.44 1.04 -1.26 -5.17 113.70 111.05 2dmd s SER 3 Ca 0.28 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.41 2dmd s SER 3 Cb 0.06 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2dmd s SER 3 CO 0.07 -0.51 0.18 -0.83 0.98 0.00 0.00 173.24 173.12 2dmd s GLY 4 N -3.58 2.49 0.09 7.32 0.00 -1.26 -5.15 107.32 107.23 2dmd s GLY 4 Ca 0.35 -1.64 0.09 0.00 0.00 0.00 0.00 44.72 43.53 2dmd s GLY 4 CO 0.16 -1.99 -0.23 -0.56 0.00 0.00 0.00 173.10 170.49 2dmd s SER 5 N -3.96 3.55 -0.18 1.64 0.01 -1.26 -5.13 113.70 108.37 2dmd s SER 5 Ca 0.33 -0.60 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 2dmd s SER 5 Cb 0.03 -0.41 0.06 0.00 0.21 0.00 0.00 66.02 65.91 2dmd s SER 5 CO 0.18 0.21 0.44 -0.55 0.41 0.00 0.00 173.24 173.93 2dmd s SER 6 N -1.79 -0.55 0.31 2.44 0.15 -1.26 -5.17 113.70 107.83 2dmd s SER 6 Ca 0.15 0.95 0.06 0.00 0.70 0.00 0.00 55.95 57.81 2dmd s SER 6 Cb -0.10 0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2dmd s SER 6 CO 0.06 -0.20 0.41 -0.83 1.20 0.00 0.00 173.24 173.88 2dmd s GLY 7 N 1.37 1.54 -0.00 9.45 0.00 -1.26 -5.06 107.32 113.36 2dmd s GLY 7 Ca -0.09 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 2dmd s GLY 7 CO -0.13 -1.39 1.45 2.56 0.00 0.00 0.00 173.10 175.59 2dmd s PRO 8 N -4.09 4.26 -0.53 2.90 0.04 -1.26 -4.98 135.00 131.34 2dmd s PRO 8 Ca 0.42 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 2dmd s PRO 8 Cb -0.09 -3.62 0.04 0.00 0.04 0.00 0.00 34.50 30.88 2dmd s PRO 8 CO 0.30 -0.63 0.84 -1.01 0.04 0.00 0.00 177.00 176.54 2dmd s HIS 9 N 2.62 2.88 -0.08 0.56 3.76 -1.26 -5.03 115.29 118.73 2dmd s HIS 9 Ca 0.66 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 2dmd s HIS 9 Cb -0.32 -3.89 -0.03 0.00 1.11 0.00 0.00 32.58 29.45 2dmd s HIS 9 CO 0.27 -1.23 -0.07 -1.59 -0.85 0.00 0.00 174.74 171.27 2dmd s LYS 10 N 3.53 2.93 1.14 1.40 -2.85 -1.26 -3.82 119.74 120.81 2dmd s LYS 10 Ca 0.26 -0.55 -0.16 0.00 -1.00 0.00 0.00 55.97 54.52 2dmd s LYS 10 Cb -0.14 -2.65 0.23 0.00 -2.06 0.00 0.00 37.83 33.22 2dmd s LYS 10 CO 0.17 0.58 0.51 0.00 0.10 0.00 0.00 175.35 176.71 2dmd n GLU 12 N -2.97 0.00 -0.34 0.00 0.28 -1.26 -4.20 120.64 112.15 2dmd n GLU 12 Ca 0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.05 2dmd n GLU 12 Cb 0.42 -0.63 0.10 0.00 1.43 0.00 0.00 31.44 32.75 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 1.26 0.00 3.84 -1.51 -2.01 -3.34 116.25 114.49 2dmd h VAL 13 Ca 0.00 -0.61 -0.13 0.00 -1.23 0.00 0.00 66.70 64.73 2dmd h VAL 13 Cb 0.43 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 2dmd h VAL 13 CO 0.00 0.28 -1.48 0.00 -1.23 0.00 0.00 177.57 175.14 2dmd n GLY 15 N 3.10 0.73 3.99 0.00 0.00 -1.26 -5.07 105.19 106.68 2dmd n GLY 15 Ca -0.15 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.93 2.72 0.20 1.61 2.20 -1.26 -4.82 119.74 119.46 2dmd s LYS 16 Ca 0.00 -1.00 0.09 0.00 -0.36 0.00 0.00 55.97 54.70 2dmd s LYS 16 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2dmd s LYS 16 CO 0.00 -0.45 -0.06 0.00 -0.36 0.00 0.00 175.35 174.47 2dmd s PHE 18 N -1.87 0.99 -0.15 0.00 0.40 -1.25 -4.98 117.98 111.13 2dmd s PHE 18 Ca 0.27 -1.22 -0.09 0.00 -0.60 0.00 0.00 56.93 55.29 2dmd s PHE 18 Cb -0.08 -0.19 -0.07 0.00 0.51 0.00 0.00 43.02 43.20 2dmd s PHE 18 CO 0.17 -0.97 -0.22 0.43 0.70 0.00 0.00 175.22 175.33 2dmd n SER 19 N -0.95 1.29 -4.77 1.36 7.64 -1.26 -4.71 113.62 112.22 2dmd n SER 19 Ca 0.01 0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.83 2dmd n SER 19 Cb 0.63 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dmd s ARG 20 N -2.37 2.84 0.27 1.43 0.52 -1.26 -4.93 118.95 115.45 2dmd s ARG 20 Ca -0.23 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.14 2dmd s ARG 20 Cb 0.08 -2.65 0.36 0.00 0.52 0.00 0.00 34.95 33.25 2dmd s ARG 20 CO 0.29 0.52 1.86 0.87 0.02 0.00 0.00 175.30 178.86 2dmd h LYS 21 N 2.84 1.00 -0.29 3.54 1.57 -1.96 -2.85 116.57 120.42 2dmd h LYS 21 Ca -0.47 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2dmd h LYS 21 Cb 1.18 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2dmd h LYS 21 CO 0.64 0.79 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.87 2dmd h ASP 22 N 0.99 -0.12 -0.96 0.86 3.32 -2.00 -1.99 116.42 116.52 2dmd h ASP 22 Ca 0.24 0.06 0.30 0.00 0.02 0.00 0.00 57.03 57.65 2dmd h ASP 22 Cb 0.14 0.12 -0.17 0.00 0.22 0.00 0.00 39.33 39.63 2dmd h ASP 22 CO -0.03 -0.03 0.20 0.11 -1.72 0.00 0.00 179.24 177.78 2dmd h LYS 23 N 0.08 0.06 -0.36 3.56 1.79 -1.92 0.61 116.57 120.40 2dmd h LYS 23 Ca 0.14 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2dmd h LYS 23 Cb 0.18 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2dmd h LYS 23 CO -0.23 0.04 -0.12 1.25 -1.08 0.00 0.00 179.45 179.30 2dmd h LEU 24 N 0.06 0.73 -0.96 2.94 5.85 -1.46 -2.29 115.31 120.18 2dmd h LEU 24 Ca 0.65 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 59.11 2dmd h LEU 24 Cb 1.44 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 2dmd h LEU 24 CO -0.82 0.95 -0.45 1.17 -0.34 0.00 0.00 178.44 178.95 2dmd n LYS 25 N -4.36 -0.30 0.02 1.25 4.81 0.21 -0.07 118.16 119.73 2dmd n LYS 25 Ca -0.02 1.46 -0.13 0.00 -0.87 0.00 0.00 58.31 58.75 2dmd n LYS 25 Cb 0.37 -2.16 -0.01 0.00 0.02 0.00 0.00 35.03 33.25 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2dmd h THR 26 N 0.00 1.34 -0.93 3.15 2.02 -1.55 -3.27 112.91 113.67 2dmd h THR 26 Ca 0.26 -2.08 0.21 0.00 0.77 0.00 0.00 66.41 65.57 2dmd h THR 26 Cb 0.50 2.06 -0.18 0.00 -1.74 0.00 0.00 68.15 68.80 2dmd h THR 26 CO -0.93 0.64 -0.15 1.57 0.37 0.00 0.00 175.52 177.02 2dmd n HIS 27 N -3.87 0.42 -0.35 3.16 -0.00 0.90 0.19 115.22 115.67 2dmd n HIS 27 Ca -0.05 1.13 0.09 0.00 -0.00 0.00 0.00 57.72 58.89 2dmd n HIS 27 Cb 0.72 -1.09 0.28 0.00 -0.00 0.00 0.00 29.99 29.90 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 0.88 -0.99 1.57 2.86 -1.51 -0.42 114.93 117.32 2dmd h MET 28 Ca 0.49 -0.05 0.19 0.00 -2.06 0.00 0.00 59.70 58.27 2dmd h MET 28 Cb 0.84 -0.20 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 2dmd h MET 28 CO -0.93 0.58 0.61 0.00 1.06 0.00 0.00 176.91 178.23 2dmd h ARG 29 N 0.90 0.67 0.00 1.72 2.47 0.20 0.72 114.38 121.07 2dmd h ARG 29 Ca 0.51 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2dmd h ARG 29 Cb 0.62 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2dmd h ARG 29 CO -0.28 0.45 0.00 0.00 0.56 0.00 0.00 179.97 180.69 2dmd s HIS 31 N -3.25 3.24 0.00 0.00 3.76 0.25 -5.05 115.29 114.26 2dmd s HIS 31 Ca 0.07 0.73 0.01 0.00 -0.15 0.00 0.00 55.06 55.72 2dmd s HIS 31 Cb 0.10 -2.96 -0.01 0.00 1.11 0.00 0.00 32.58 30.83 2dmd s HIS 31 CO 0.51 -0.42 -0.05 0.95 -0.85 0.00 0.00 174.74 174.88 2dmd s THR 32 N 2.62 0.38 0.00 1.30 -4.23 -1.26 -4.95 115.64 109.49 2dmd s THR 32 Ca 0.27 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2dmd s THR 32 Cb -0.15 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2dmd s THR 32 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 2dmd n GLY 33 N 2.67 0.37 0.09 3.99 0.00 -1.26 -5.07 105.19 105.99 2dmd n GLY 33 Ca -0.15 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.55 -3.38 1.61 0.24 -1.26 -4.59 118.33 112.51 2dmd n VAL 34 Ca 0.00 -0.80 -0.26 0.00 -2.04 0.00 0.00 64.34 61.24 2dmd n VAL 34 Cb 0.00 -0.92 -0.08 0.00 -1.47 0.00 0.00 33.84 31.37 2dmd n VAL 34 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dmd n LYS 35 N -2.99 1.88 0.17 7.34 4.01 -1.26 -4.52 118.16 122.78 2dmd n LYS 35 Ca -0.23 -4.18 0.01 0.00 -0.51 0.00 0.00 58.31 53.40 2dmd n LYS 35 Cb 1.08 -1.92 0.29 0.00 -0.51 0.00 0.00 35.03 33.97 2dmd n LYS 35 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2dmd h PRO 36 N 4.22 0.00 -6.17 1.97 0.13 -1.81 -3.41 132.00 126.94 2dmd h PRO 36 Ca 0.16 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.76 2dmd h PRO 36 Cb 0.74 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.80 2dmd h PRO 36 CO 0.70 0.46 1.19 0.71 -0.23 0.00 0.00 178.00 180.84 2dmd s TYR 37 N -3.92 2.19 -0.10 1.56 2.02 -1.24 -4.96 117.35 112.90 2dmd s TYR 37 Ca -0.02 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2dmd s TYR 37 Cb 0.13 -4.50 0.01 0.00 -0.40 0.00 0.00 41.96 37.21 2dmd s TYR 37 CO 0.73 -2.06 -0.15 0.15 -1.57 0.00 0.00 175.55 172.66 2dmd s LYS 38 N 5.90 2.19 0.42 -0.62 1.02 -1.26 -0.96 119.74 126.43 2dmd s LYS 38 Ca 0.47 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.66 2dmd s LYS 38 Cb -0.07 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 35.28 2dmd s LYS 38 CO 0.08 -0.05 0.92 0.00 -0.92 0.00 0.00 175.35 175.38 2dmd h LYS 40 N 1.37 -0.99 0.19 0.00 3.64 -1.99 -3.35 116.57 115.44 2dmd h LYS 40 Ca -0.43 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 2dmd h LYS 40 Cb 1.35 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2dmd h LYS 40 CO 0.56 -0.66 -0.09 1.15 -2.27 0.00 0.00 179.45 178.14 2dmd h THR 41 N -1.03 0.00 -4.13 1.00 2.02 -2.03 -3.46 112.91 105.28 2dmd h THR 41 Ca -0.10 -0.56 -0.50 0.00 0.77 0.00 0.00 66.41 66.02 2dmd h THR 41 Cb 0.80 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 67.38 2dmd h THR 41 CO 0.14 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.27 2dmd n ASP 43 N -4.01 4.81 -4.74 0.00 8.00 -1.26 -4.08 116.55 115.27 2dmd n ASP 43 Ca 0.09 -3.77 -0.40 0.00 0.71 0.00 0.00 54.79 51.41 2dmd n ASP 43 Cb 0.53 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 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 -3.54 3.79 -0.34 1.24 5.04 -1.26 -4.98 117.35 117.30 2dmd s TYR 44 Ca 0.53 1.63 -0.13 0.00 -2.44 0.00 0.00 57.07 56.66 2dmd s TYR 44 Cb 0.44 -2.92 -0.01 0.00 0.35 0.00 0.00 41.96 39.82 2dmd s TYR 44 CO 0.01 0.27 0.24 0.00 -1.34 0.00 0.00 175.55 174.74 2dmd s ALA 45 N -0.16 3.50 0.02 3.97 0.00 -1.26 -3.59 121.76 124.24 2dmd s ALA 45 Ca 0.42 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2dmd s ALA 45 Cb -0.22 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2dmd s ALA 45 CO 0.26 -1.00 0.08 0.00 0.00 0.00 0.00 175.76 175.10 2dmd s ALA 46 N 1.72 3.57 -0.16 0.00 0.00 -0.13 -4.99 121.76 121.77 2dmd s ALA 46 Ca 0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 2dmd s ALA 46 Cb -0.17 -1.54 -0.15 0.00 0.00 0.00 0.00 23.12 21.25 2dmd s ALA 46 CO 0.10 0.71 0.28 0.00 0.00 0.00 0.00 175.76 176.85 2dmd h ALA 47 N 3.89 0.10 -1.97 0.00 0.00 -1.85 -3.28 119.26 116.16 2dmd h ALA 47 Ca -0.48 -0.69 -0.45 0.00 0.00 0.00 0.00 54.91 53.29 2dmd h ALA 47 Cb 1.18 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2dmd h ALA 47 CO 0.63 0.35 -0.33 0.34 0.00 0.00 0.00 179.25 180.25 2dmd s ASP 48 N -6.27 6.07 0.04 0.00 2.15 -1.26 -4.75 116.67 112.65 2dmd s ASP 48 Ca -0.19 -0.02 -0.33 0.00 0.43 0.00 0.00 52.55 52.44 2dmd s ASP 48 Cb 0.02 -1.49 -0.18 0.00 -0.30 0.00 0.00 42.92 40.96 2dmd s ASP 48 CO 0.47 -0.36 1.40 -1.28 -0.17 0.00 0.00 175.17 175.23 2dmd h SER 49 N 0.90 -1.02 -0.95 -0.34 0.87 -1.98 -2.99 113.55 108.04 2dmd h SER 49 Ca -0.48 0.04 0.27 0.00 -1.23 0.00 0.00 61.79 60.39 2dmd h SER 49 Cb 1.25 0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 63.33 2dmd h SER 49 CO 0.56 -0.68 0.42 -1.28 -0.53 0.00 0.00 176.83 175.32 2dmd h SER 50 N -1.30 0.30 -0.98 6.23 0.87 -1.97 0.30 113.55 116.99 2dmd h SER 50 Ca -0.12 0.19 0.31 0.00 -1.23 0.00 0.00 61.79 60.93 2dmd h SER 50 Cb 0.92 0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 62.92 2dmd h SER 50 CO 0.20 -0.12 0.50 -1.28 -0.53 0.00 0.00 176.83 175.60 2dmd h SER 51 N 0.30 0.41 0.10 6.23 0.87 -1.93 0.29 113.55 119.81 2dmd h SER 51 Ca 0.64 0.20 -0.20 0.00 -1.23 0.00 0.00 61.79 61.19 2dmd h SER 51 Cb 1.37 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 2dmd h SER 51 CO -0.62 -0.15 -1.00 0.25 -0.53 0.00 0.00 176.83 174.78 2dmd h LEU 52 N 0.29 0.33 -1.93 2.23 5.85 -0.49 -2.85 115.31 118.75 2dmd h LEU 52 Ca 0.71 -0.88 0.19 0.00 0.84 0.00 0.00 57.88 58.74 2dmd h LEU 52 Cb 1.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2dmd h LEU 52 CO -0.62 1.45 0.49 0.78 -0.34 0.00 0.00 178.44 180.20 2dmd h ASN 53 N -0.48 0.06 0.41 1.25 2.35 -0.34 -0.10 115.58 118.74 2dmd h ASN 53 Ca -0.21 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.23 2dmd h ASN 53 Cb 1.58 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 2dmd h ASN 53 CO 0.06 0.03 -1.58 0.50 -1.65 0.00 0.00 177.43 174.79 2dmd h LYS 54 N 0.06 0.26 -0.77 0.81 3.64 -0.61 -3.33 116.57 116.63 2dmd h LYS 54 Ca 0.33 -0.44 0.16 0.00 -1.27 0.00 0.00 60.65 59.43 2dmd h LYS 54 Cb 1.24 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.17 2dmd h LYS 54 CO -0.02 1.12 0.52 1.25 -2.27 0.00 0.00 179.45 180.04 2dmd h HIS 55 N 0.07 0.47 0.00 1.91 2.76 -0.77 0.47 115.15 120.07 2dmd h HIS 55 Ca -0.26 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2dmd h HIS 55 Cb 2.03 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.84 2dmd h HIS 55 CO 0.07 0.17 0.00 -0.07 -1.30 0.00 0.00 177.93 176.80 2dmd h LEU 56 N 0.40 0.00 -1.72 0.26 3.38 -1.57 -2.75 115.31 113.31 2dmd h LEU 56 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2dmd h LEU 56 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dmd h LEU 56 CO -0.12 0.00 -0.08 0.03 0.09 0.00 0.00 178.44 178.35 2dmd h ARG 57 N 0.00 0.07 -0.09 1.13 2.47 -0.21 -1.94 114.38 115.82 2dmd h ARG 57 Ca 0.00 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 2dmd h ARG 57 Cb 0.41 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2dmd h ARG 57 CO 0.00 0.16 -0.54 -0.84 0.56 0.00 0.00 179.97 179.31 2dmd h ILE 58 N 0.07 1.36 -0.75 2.04 3.07 -1.60 -3.05 117.51 118.65 2dmd h ILE 58 Ca 0.02 -1.84 0.04 0.00 1.55 0.00 0.00 64.86 64.63 2dmd h ILE 58 Cb 0.20 1.90 -0.04 0.00 -0.27 0.00 0.00 36.82 38.60 2dmd h ILE 58 CO 0.01 0.55 0.49 0.45 -1.05 0.00 0.00 178.15 178.60 2dmd h HIS 59 N 0.20 0.86 -0.93 0.16 3.86 -1.49 -2.01 115.15 115.80 2dmd h HIS 59 Ca 0.00 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.41 2dmd h HIS 59 Cb 1.02 -0.29 -0.10 0.00 1.06 0.00 0.00 27.41 29.10 2dmd h HIS 59 CO 0.02 0.49 0.51 0.77 0.86 0.00 0.00 177.93 180.59 2dmd h SER 60 N 0.89 0.63 -5.76 2.45 0.02 -1.54 -3.42 113.55 106.81 2dmd h SER 60 Ca 0.31 0.10 -0.48 0.00 -0.84 0.00 0.00 61.79 60.87 2dmd h SER 60 Cb 0.10 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2dmd h SER 60 CO -0.09 0.23 -0.19 0.47 -1.14 0.00 0.00 176.83 176.10 2dmd n ASP 61 N -4.84 2.36 -4.58 3.07 8.00 -0.76 -5.14 116.55 114.66 2dmd n ASP 61 Ca 0.20 -2.58 -0.27 0.00 0.71 0.00 0.00 54.79 52.86 2dmd n ASP 61 Cb 0.52 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 2dmd n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dmd s GLU 62 N -4.07 2.11 -0.24 -1.24 0.41 -1.26 -4.93 118.70 109.47 2dmd s GLU 62 Ca 0.35 -1.22 -0.03 0.00 -0.41 0.00 0.00 54.97 53.66 2dmd s GLU 62 Cb -0.03 -2.20 0.08 0.00 -1.78 0.00 0.00 34.13 30.20 2dmd s GLU 62 CO 0.22 0.44 0.07 1.03 -0.49 0.00 0.00 175.26 176.53 2dmd s ARG 63 N -2.77 0.56 0.29 1.61 0.52 -1.26 -4.77 118.95 113.13 2dmd s ARG 63 Ca 0.25 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.95 2dmd s ARG 63 Cb -0.09 -1.92 0.44 0.00 0.52 0.00 0.00 34.95 33.90 2dmd s ARG 63 CO 0.15 -0.79 1.68 -1.00 0.02 0.00 0.00 175.30 175.36 2dmd h PRO 64 N 8.24 0.16 -5.74 3.54 0.13 -1.82 -3.43 132.00 133.09 2dmd h PRO 64 Ca -0.16 -0.09 -0.59 0.00 -0.87 0.00 0.00 66.00 64.29 2dmd h PRO 64 Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 2dmd h PRO 64 CO 0.38 0.61 0.20 -0.06 -0.23 0.00 0.00 178.00 178.90 2dmd s PHE 65 N -3.99 3.39 -0.01 1.56 0.08 -1.18 -5.03 117.98 112.78 2dmd s PHE 65 Ca -0.04 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.04 2dmd s PHE 65 Cb 0.13 -2.86 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 2dmd s PHE 65 CO 0.77 -0.20 0.01 0.15 -0.10 0.00 0.00 175.22 175.85 2dmd s LYS 66 N 2.00 0.06 0.85 0.44 1.02 -1.26 -1.32 119.74 121.52 2dmd s LYS 66 Ca 0.31 0.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.28 2dmd s LYS 66 Cb -0.16 -0.22 0.10 0.00 -0.52 0.00 0.00 37.83 37.03 2dmd s LYS 66 CO 0.11 -0.09 1.10 0.00 -0.92 0.00 0.00 175.35 175.55 2dmd n GLN 68 N -3.81 0.52 0.28 0.00 1.13 -1.26 -4.58 117.38 109.66 2dmd n GLN 68 Ca 0.09 0.44 -0.16 0.00 -1.94 0.00 0.00 57.00 55.43 2dmd n GLN 68 Cb 0.53 -1.63 -0.08 0.00 0.11 0.00 0.00 30.24 29.17 2dmd n GLN 68 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2dmd h ILE 69 N -1.00 0.29 -2.90 5.09 5.03 -2.00 -3.43 117.51 118.59 2dmd h ILE 69 Ca -0.22 0.00 -0.60 0.00 -0.12 0.00 0.00 64.86 63.92 2dmd h ILE 69 Cb 1.02 0.29 -0.07 0.00 -3.03 0.00 0.00 36.82 35.03 2dmd h ILE 69 CO -0.13 0.00 -0.57 0.00 -0.68 0.00 0.00 178.15 176.77 2dmd n PRO 71 N 0.00 0.49 -0.88 0.00 -0.04 -1.26 -4.13 135.00 129.18 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 0.53 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.84 -1.75 -3.54 0.54 9.36 -1.26 -4.79 117.16 114.88 2dmd n TYR 72 Ca 0.08 0.40 -0.18 0.00 3.32 0.00 0.00 57.90 61.52 2dmd n TYR 72 Cb 0.04 -1.47 -0.06 0.00 -0.63 0.00 0.00 39.34 37.22 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 -2.10 -1.70 0.02 2.98 0.00 -1.26 -3.15 121.76 116.56 2dmd s ALA 73 Ca 0.44 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 2dmd s ALA 73 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2dmd s ALA 73 CO 0.68 -0.37 0.18 -1.54 0.00 0.00 0.00 175.76 174.71 2dmd s SER 74 N -1.22 0.03 -0.05 0.00 1.04 -0.44 -5.01 113.70 108.04 2dmd s SER 74 Ca -0.11 -0.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.79 2dmd s SER 74 Cb -0.00 0.26 -0.26 0.00 0.10 0.00 0.00 66.02 66.12 2dmd s SER 74 CO 0.09 -0.49 0.98 0.03 0.98 0.00 0.00 173.24 174.84 2dmd h ARG 75 N 3.75 0.24 -6.46 4.02 3.08 -1.86 -3.13 114.38 114.02 2dmd h ARG 75 Ca -0.32 -0.30 -0.44 0.00 0.07 0.00 0.00 59.98 59.00 2dmd h ARG 75 Cb 1.19 0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.35 2dmd h ARG 75 CO 0.45 1.05 -0.23 -0.80 -1.07 0.00 0.00 179.97 179.37 2dmd s ASN 76 N -6.56 5.51 -0.14 7.04 -0.87 -1.26 -4.61 114.94 114.05 2dmd s ASN 76 Ca -0.15 -0.53 -0.28 0.00 -1.57 0.00 0.00 52.86 50.32 2dmd s ASN 76 Cb 0.01 -0.45 -0.26 0.00 -0.02 0.00 0.00 41.25 40.53 2dmd s ASN 76 CO 0.78 -0.88 0.74 -1.28 -2.57 0.00 0.00 177.10 173.89 2dmd h SER 77 N 0.57 0.01 -0.92 -1.22 0.87 -1.99 -3.36 113.55 107.51 2dmd h SER 77 Ca -0.38 -0.97 0.12 0.00 -1.23 0.00 0.00 61.79 59.33 2dmd h SER 77 Cb 1.28 -0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.11 2dmd h SER 77 CO 0.45 1.04 -0.43 -1.20 -0.53 0.00 0.00 176.83 176.16 2dmd n SER 78 N -4.59 -0.75 -0.27 6.23 7.64 -1.26 0.76 113.62 121.39 2dmd n SER 78 Ca -0.12 1.61 0.07 0.00 1.01 0.00 0.00 58.87 61.45 2dmd n SER 78 Cb 0.50 -0.30 0.18 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.13 -0.30 1.43 4.20 -2.00 0.74 115.11 119.30 2dmd h GLN 79 Ca 0.25 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 2dmd h GLN 79 Cb 0.48 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2dmd h GLN 79 CO -0.89 0.08 -0.07 1.25 -0.67 0.00 0.00 178.83 178.53 2dmd h LEU 80 N 0.13 0.58 -1.19 1.46 5.85 0.20 -0.68 115.31 121.67 2dmd h LEU 80 Ca 0.44 -0.37 0.16 0.00 0.84 0.00 0.00 57.88 58.96 2dmd h LEU 80 Cb 0.80 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 2dmd h LEU 80 CO -0.66 0.81 0.60 0.74 -0.34 0.00 0.00 178.44 179.59 2dmd h THR 81 N 0.34 0.78 0.09 1.05 2.02 0.15 0.19 112.91 117.53 2dmd h THR 81 Ca 0.07 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 2dmd h THR 81 Cb 0.56 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2dmd h THR 81 CO 0.03 0.13 -0.55 0.58 0.37 0.00 0.00 175.52 176.08 2dmd h VAL 82 N 0.72 1.59 -0.27 3.16 2.07 -1.01 -3.33 116.25 119.18 2dmd h VAL 82 Ca 0.50 -2.43 0.05 0.00 0.82 0.00 0.00 66.70 65.64 2dmd h VAL 82 Cb 0.81 3.20 -0.04 0.00 -1.52 0.00 0.00 31.29 33.74 2dmd h VAL 82 CO -0.26 0.67 0.01 -0.74 0.02 0.00 0.00 177.57 177.27 2dmd h HIS 83 N -0.53 0.00 -0.77 1.57 6.17 -0.48 -2.65 115.15 118.46 2dmd h HIS 83 Ca -0.09 0.02 0.13 0.00 0.71 0.00 0.00 60.37 61.13 2dmd h HIS 83 Cb 1.42 0.04 -0.14 0.00 2.52 0.00 0.00 27.41 31.25 2dmd h HIS 83 CO 0.22 -0.03 -0.34 -0.07 0.71 0.00 0.00 177.93 178.41 2dmd h LEU 84 N 0.09 -1.21 -0.78 0.26 3.38 -0.78 0.22 115.31 116.48 2dmd h LEU 84 Ca 0.13 0.26 0.28 0.00 0.09 0.00 0.00 57.88 58.64 2dmd h LEU 84 Cb 0.16 0.63 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2dmd h LEU 84 CO -0.21 -0.29 0.24 0.54 0.09 0.00 0.00 178.44 178.81 2dmd n ARG 85 N -5.46 -0.05 -0.18 1.13 1.74 -1.00 0.11 116.66 112.94 2dmd n ARG 85 Ca 0.07 1.12 -0.03 0.00 -0.77 0.00 0.00 57.85 58.24 2dmd n ARG 85 Cb 0.38 -1.90 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.69 -0.32 0.55 0.02 -0.68 -3.27 113.55 109.17 2dmd h SER 86 Ca 0.58 0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 61.53 2dmd h SER 86 Cb 1.41 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 64.34 2dmd h SER 86 CO -0.66 -0.23 0.60 -1.00 -1.14 0.00 0.00 176.83 174.40 2dmd s HIS 87 N -6.18 1.61 -0.14 3.45 3.76 0.30 -4.82 115.29 113.27 2dmd s HIS 87 Ca -0.14 1.31 -0.13 0.00 -0.15 0.00 0.00 55.06 55.95 2dmd s HIS 87 Cb 0.18 -3.69 0.04 0.00 1.11 0.00 0.00 32.58 30.21 2dmd s HIS 87 CO 0.72 -0.99 0.37 -0.08 -0.85 0.00 0.00 174.74 173.91 2dmd s THR 88 N 13.71 -0.00 -0.59 1.30 -1.32 -1.24 -4.98 115.64 122.52 2dmd s THR 88 Ca 0.75 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.20 2dmd s THR 88 Cb -0.03 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2dmd s THR 88 CO 0.15 0.00 0.46 0.61 -2.21 0.00 0.00 174.62 173.62 2dmd n GLY 89 N 2.90 -0.87 3.70 6.08 0.00 -1.26 -4.82 105.19 110.92 2dmd n GLY 89 Ca -0.13 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 2dmd n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmd s ASP 90 N -2.56 7.16 0.09 1.61 1.11 -1.26 -4.96 116.67 117.87 2dmd s ASP 90 Ca 0.03 1.75 -0.25 0.00 0.18 0.00 0.00 52.55 54.27 2dmd s ASP 90 Cb -0.00 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 2dmd s ASP 90 CO 0.67 -0.47 1.41 -1.28 1.18 0.00 0.00 175.17 176.69 2dmd h SER 91 N 7.12 -1.37 0.00 0.27 0.87 -2.02 -3.47 113.55 114.95 2dmd h SER 91 Ca -0.36 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2dmd h SER 91 Cb 1.18 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2dmd h SER 91 CO 0.84 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 2dmd n GLY 92 N -1.29 3.36 3.73 5.77 0.00 -1.26 -5.14 105.19 110.36 2dmd n GLY 92 Ca -0.03 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2dmd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 93 N -1.61 4.38 0.02 1.61 0.04 -1.26 -5.03 135.00 133.14 2dmd s PRO 93 Ca 0.00 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2dmd s PRO 93 Cb 0.00 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 2dmd s PRO 93 CO 0.00 -0.27 0.13 -1.54 0.04 0.00 0.00 177.00 175.36 2dmd s SER 94 N 0.46 0.08 0.01 6.66 1.04 -1.26 -5.17 113.70 115.53 2dmd s SER 94 Ca 0.58 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 2dmd s SER 94 Cb -0.36 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.09 2dmd s SER 94 CO 0.37 -0.44 1.24 -0.94 0.98 0.00 0.00 173.24 174.44 2dmd s SER 95 N -1.73 -0.06 0.00 7.02 1.04 -1.26 -5.31 113.70 113.39 2dmd s SER 95 Ca -0.10 -0.20 0.21 0.00 0.48 0.00 0.00 55.95 56.34 2dmd s SER 95 Cb -0.05 0.22 0.17 0.00 0.10 0.00 0.00 66.02 66.46 2dmd s SER 95 CO -0.01 -0.41 1.18 0.61 0.98 0.00 0.00 173.24 175.59