#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 -0.07 0.34 1.61 0.15 -1.26 -5.19 113.70 109.29 2dmd s SER 2 Ca 0.00 -0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.12 2dmd s SER 2 Cb 0.00 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 2dmd s SER 2 CO 0.00 -0.64 0.83 -0.94 1.20 0.00 0.00 173.24 173.69 2dmd s SER 3 N -3.20 -0.01 0.15 5.45 1.04 -1.26 -5.19 113.70 110.68 2dmd s SER 3 Ca 0.18 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 2dmd s SER 3 Cb 0.01 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 2dmd s SER 3 CO 0.01 -1.55 0.06 -0.83 0.98 0.00 0.00 173.24 171.91 2dmd s GLY 4 N -3.11 1.11 0.12 7.32 0.00 -1.26 -5.17 107.32 106.33 2dmd s GLY 4 Ca 0.16 -1.54 -0.26 0.00 0.00 0.00 0.00 44.72 43.09 2dmd s GLY 4 CO 0.10 -1.39 1.05 -1.35 0.00 0.00 0.00 173.10 171.51 2dmd s SER 5 N -3.09 -0.12 0.08 1.64 1.04 -1.26 -5.18 113.70 106.81 2dmd s SER 5 Ca 0.27 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2dmd s SER 5 Cb 0.07 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 2dmd s SER 5 CO 0.04 -0.77 -0.12 -0.44 0.98 0.00 0.00 173.24 172.93 2dmd s SER 6 N -3.04 1.51 -0.23 7.02 0.01 -1.26 -5.14 113.70 112.57 2dmd s SER 6 Ca 0.14 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2dmd s SER 6 Cb -0.00 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.27 2dmd s SER 6 CO 0.01 -0.17 -0.05 -0.83 0.41 0.00 0.00 173.24 172.61 2dmd s GLY 7 N -2.05 1.27 0.83 3.44 0.00 -1.26 -5.13 107.32 104.42 2dmd s GLY 7 Ca 0.01 -1.33 -0.11 0.00 0.00 0.00 0.00 44.72 43.29 2dmd s GLY 7 CO 0.01 0.94 1.09 2.56 0.00 0.00 0.00 173.10 177.70 2dmd s PRO 8 N 1.41 1.80 0.14 2.90 0.04 -1.26 -4.83 135.00 135.20 2dmd s PRO 8 Ca -0.06 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 2dmd s PRO 8 Cb -0.19 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2dmd s PRO 8 CO -0.06 -1.92 0.47 -1.01 0.04 0.00 0.00 177.00 174.52 2dmd s HIS 9 N -2.92 3.53 -0.19 0.56 3.76 -1.26 -4.98 115.29 113.80 2dmd s HIS 9 Ca 0.62 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2dmd s HIS 9 Cb -0.17 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.32 2dmd s HIS 9 CO 0.56 0.42 -0.18 0.21 -0.85 0.00 0.00 174.74 174.91 2dmd s LYS 10 N -2.25 3.03 1.12 1.40 2.20 -1.26 -3.62 119.74 120.36 2dmd s LYS 10 Ca 0.39 -0.81 -0.20 0.00 -0.36 0.00 0.00 55.97 54.99 2dmd s LYS 10 Cb -0.13 -2.63 0.08 0.00 -1.51 0.00 0.00 37.83 33.64 2dmd s LYS 10 CO 0.20 -0.21 -0.13 0.00 -0.36 0.00 0.00 175.35 174.85 2dmd n GLU 12 N -1.73 2.41 -0.01 0.00 4.07 -1.26 -4.25 120.64 119.87 2dmd n GLU 12 Ca 0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.93 2dmd n GLU 12 Cb 0.64 -0.77 -0.07 0.00 -0.06 0.00 0.00 31.44 31.18 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 2dmd h VAL 13 N 0.00 1.28 0.00 6.31 -1.51 -2.01 -3.41 116.25 116.90 2dmd h VAL 13 Ca 0.00 -2.00 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 2dmd h VAL 13 Cb 0.31 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2dmd h VAL 13 CO 0.00 0.63 -0.95 0.00 -1.23 0.00 0.00 177.57 176.02 2dmd n GLY 15 N 3.12 0.73 3.77 0.00 0.00 -1.26 -5.07 105.19 106.48 2dmd n GLY 15 Ca 0.00 -0.58 -0.28 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 -0.86 2.80 -0.03 1.61 2.47 -1.26 -4.87 119.74 119.61 2dmd s LYS 16 Ca 0.00 -0.85 -0.01 0.00 -1.56 0.00 0.00 55.97 53.55 2dmd s LYS 16 Cb 0.00 -2.62 -0.04 0.00 -1.46 0.00 0.00 37.83 33.71 2dmd s LYS 16 CO 0.00 0.51 0.05 0.00 0.16 0.00 0.00 175.35 176.07 2dmd s PHE 18 N -1.09 1.19 -0.18 0.00 0.08 -1.24 -5.06 117.98 111.67 2dmd s PHE 18 Ca 0.20 -1.33 -0.20 0.00 0.12 0.00 0.00 56.93 55.72 2dmd s PHE 18 Cb -0.12 -0.60 -0.21 0.00 -0.57 0.00 0.00 43.02 41.51 2dmd s PHE 18 CO 0.10 -0.57 0.32 1.03 -0.10 0.00 0.00 175.22 176.00 2dmd h SER 19 N 2.61 0.09 -2.73 1.36 0.87 -1.98 -3.39 113.55 110.39 2dmd h SER 19 Ca -0.36 -0.64 -0.66 0.00 -1.23 0.00 0.00 61.79 58.90 2dmd h SER 19 Cb 1.24 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.10 2dmd h SER 19 CO 0.55 1.51 -0.45 -0.13 -0.53 0.00 0.00 176.83 177.78 2dmd s ARG 20 N -2.39 3.55 0.58 2.24 0.52 -1.26 -4.51 118.95 117.67 2dmd s ARG 20 Ca -0.26 -0.07 0.35 0.00 -0.52 0.00 0.00 55.73 55.24 2dmd s ARG 20 Cb 0.05 -3.21 1.70 0.00 0.52 0.00 0.00 34.95 34.01 2dmd s ARG 20 CO 0.64 0.74 2.12 1.57 0.02 0.00 0.00 175.30 180.39 2dmd h LYS 21 N 5.06 0.00 -0.02 3.54 2.10 -1.90 -2.92 116.57 122.43 2dmd h LYS 21 Ca -0.54 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.09 2dmd h LYS 21 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2dmd h LYS 21 CO 0.60 0.03 -0.07 0.22 -2.00 0.00 0.00 179.45 178.24 2dmd h ASP 22 N 0.00 0.09 -1.26 7.07 3.58 -2.00 -3.22 116.42 120.67 2dmd h ASP 22 Ca -0.00 -0.65 0.45 0.00 0.42 0.00 0.00 57.03 57.25 2dmd h ASP 22 Cb 0.33 -0.02 -0.14 0.00 1.72 0.00 0.00 39.33 41.21 2dmd h ASP 22 CO 0.00 0.72 0.80 0.29 -2.88 0.00 0.00 179.24 178.17 2dmd n LYS 23 N -4.70 -0.04 -0.20 0.28 4.76 -1.10 0.15 118.16 117.31 2dmd n LYS 23 Ca -0.09 1.22 -0.02 0.00 -2.87 0.00 0.00 58.31 56.54 2dmd n LYS 23 Cb 0.36 -2.36 0.08 0.00 -1.84 0.00 0.00 35.03 31.27 2dmd n LYS 23 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2dmd h LEU 24 N 0.00 0.43 -0.07 -0.35 5.85 -1.68 0.48 115.31 119.98 2dmd h LEU 24 Ca 0.84 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.63 2dmd h LEU 24 Cb 2.63 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 43.55 2dmd h LEU 24 CO -0.49 0.29 -0.48 0.11 -0.34 0.00 0.00 178.44 177.53 2dmd h LYS 25 N 0.57 -0.56 0.00 1.25 1.57 0.13 -1.31 116.57 118.23 2dmd h LYS 25 Ca 0.27 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2dmd h LYS 25 Cb 0.19 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2dmd h LYS 25 CO -0.19 -0.37 -0.44 1.15 -0.57 0.00 0.00 179.45 179.03 2dmd h THR 26 N -0.58 1.14 -0.33 -0.16 2.02 -1.53 -2.90 112.91 110.58 2dmd h THR 26 Ca 0.05 -1.60 0.10 0.00 0.77 0.00 0.00 66.41 65.73 2dmd h THR 26 Cb 0.67 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2dmd h THR 26 CO -0.38 0.43 0.32 -0.74 0.37 0.00 0.00 175.52 175.51 2dmd h HIS 27 N 0.00 0.00 0.00 3.16 -0.00 0.11 0.45 115.15 118.87 2dmd h HIS 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2dmd h HIS 27 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2dmd h HIS 27 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.93 178.45 2dmd h MET 28 N 0.00 0.00 0.00 5.26 2.86 -1.23 -3.01 114.93 118.80 2dmd h MET 28 Ca 0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2dmd h MET 28 Cb 0.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 2dmd h MET 28 CO -0.00 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.96 2dmd h ARG 29 N 0.00 0.00 -0.53 1.72 3.08 -0.26 0.34 114.38 118.73 2dmd h ARG 29 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2dmd h ARG 29 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2dmd h ARG 29 CO 0.00 0.01 0.03 0.00 -1.07 0.00 0.00 179.97 178.94 2dmd s HIS 31 N -2.82 3.42 -0.29 0.00 3.76 0.11 -5.02 115.29 114.45 2dmd s HIS 31 Ca 0.52 -3.08 -0.15 0.00 -0.15 0.00 0.00 55.06 52.20 2dmd s HIS 31 Cb 0.41 -2.95 0.13 0.00 1.11 0.00 0.00 32.58 31.27 2dmd s HIS 31 CO 0.14 -0.72 0.83 0.99 -0.85 0.00 0.00 174.74 175.14 2dmd s THR 32 N -0.66 -0.25 0.00 1.30 2.01 -1.26 -5.03 115.64 111.75 2dmd s THR 32 Ca 0.20 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2dmd s THR 32 Cb -0.17 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2dmd s THR 32 CO -0.06 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2dmd n GLY 33 N 4.39 3.63 3.21 4.40 0.00 -1.26 -5.17 105.19 114.39 2dmd n GLY 33 Ca -0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.40 -0.00 -0.00 1.61 -7.23 -1.26 -5.16 120.40 106.95 2dmd s VAL 34 Ca 0.00 0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2dmd s VAL 34 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2dmd s VAL 34 CO 0.00 0.01 0.01 -0.54 -0.31 0.00 0.00 175.10 174.26 2dmd s LYS 35 N 0.30 0.02 0.37 4.82 -0.14 -1.26 -5.04 119.74 118.81 2dmd s LYS 35 Ca -0.01 -0.01 0.16 0.00 -1.36 0.00 0.00 55.97 54.75 2dmd s LYS 35 Cb -0.03 0.01 0.72 0.00 -1.68 0.00 0.00 37.83 36.84 2dmd s LYS 35 CO -0.01 -0.00 1.78 -1.00 -0.76 0.00 0.00 175.35 175.36 2dmd h PRO 36 N 6.09 0.00 -5.97 -1.68 0.13 -1.93 -3.40 132.00 125.25 2dmd h PRO 36 Ca -0.24 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.29 2dmd h PRO 36 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2dmd h PRO 36 CO 0.50 0.39 1.10 0.71 -0.23 0.00 0.00 178.00 180.47 2dmd s TYR 37 N -3.87 2.53 -0.03 1.56 2.02 -1.26 -4.98 117.35 113.32 2dmd s TYR 37 Ca -0.01 -0.56 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 2dmd s TYR 37 Cb 0.13 -4.56 -0.00 0.00 -0.40 0.00 0.00 41.96 37.13 2dmd s TYR 37 CO 0.70 -1.89 -0.14 0.15 -1.57 0.00 0.00 175.55 172.80 2dmd s LYS 38 N 4.84 1.38 0.20 -0.62 1.02 -1.26 -0.91 119.74 124.40 2dmd s LYS 38 Ca 0.36 -0.49 -0.32 0.00 0.02 0.00 0.00 55.97 55.54 2dmd s LYS 38 Cb -0.06 -1.25 -0.11 0.00 -0.52 0.00 0.00 37.83 35.89 2dmd s LYS 38 CO 0.03 0.22 1.64 0.00 -0.92 0.00 0.00 175.35 176.32 2dmd h LYS 40 N 6.52 0.69 0.00 0.00 2.10 -1.99 -3.28 116.57 120.61 2dmd h LYS 40 Ca -0.43 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 2dmd h LYS 40 Cb 1.20 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 2dmd h LYS 40 CO 0.92 0.46 -0.45 1.15 -2.00 0.00 0.00 179.45 179.52 2dmd h THR 41 N 0.71 0.31 -4.10 0.07 2.02 -2.02 -3.48 112.91 106.43 2dmd h THR 41 Ca 0.29 -1.32 -0.45 0.00 0.77 0.00 0.00 66.41 65.71 2dmd h THR 41 Cb 0.14 0.67 0.15 0.00 -1.74 0.00 0.00 68.15 67.38 2dmd h THR 41 CO -0.16 0.11 0.40 0.00 0.37 0.00 0.00 175.52 176.23 2dmd n ASP 43 N -3.77 5.06 -4.74 0.00 8.00 -1.26 -4.02 116.55 115.82 2dmd n ASP 43 Ca 0.13 -3.77 -0.38 0.00 0.71 0.00 0.00 54.79 51.48 2dmd n ASP 43 Cb 0.60 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -3.60 3.58 -0.21 1.24 5.04 -1.26 -4.93 117.35 117.21 2dmd s TYR 44 Ca 0.52 1.01 -0.08 0.00 -2.44 0.00 0.00 57.07 56.09 2dmd s TYR 44 Cb 0.42 -2.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 2dmd s TYR 44 CO 0.02 0.25 0.08 0.00 -1.34 0.00 0.00 175.55 174.56 2dmd s ALA 45 N 0.30 3.36 -0.06 3.97 0.00 -1.26 -2.66 121.76 125.40 2dmd s ALA 45 Ca 0.28 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2dmd s ALA 45 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2dmd s ALA 45 CO 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 175.76 175.67 2dmd s ALA 46 N 0.89 2.72 -0.05 0.00 0.00 -0.08 -5.04 121.76 120.20 2dmd s ALA 46 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 2dmd s ALA 46 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2dmd s ALA 46 CO 0.03 0.55 0.42 0.00 0.00 0.00 0.00 175.76 176.75 2dmd h ALA 47 N 5.37 -0.37 -2.05 0.00 0.00 -1.98 -3.36 119.26 116.88 2dmd h ALA 47 Ca -0.46 -0.07 -0.46 0.00 0.00 0.00 0.00 54.91 53.92 2dmd h ALA 47 Cb 1.16 0.13 0.04 0.00 0.00 0.00 0.00 17.79 19.11 2dmd h ALA 47 CO 0.51 -0.35 -0.02 0.34 0.00 0.00 0.00 179.25 179.73 2dmd s ASP 48 N -4.73 5.59 0.00 0.00 2.15 -1.26 -4.89 116.67 113.53 2dmd s ASP 48 Ca -0.05 0.27 -0.25 0.00 0.43 0.00 0.00 52.55 52.95 2dmd s ASP 48 Cb 0.00 -1.35 -0.19 0.00 -0.30 0.00 0.00 42.92 41.09 2dmd s ASP 48 CO 0.14 -0.92 1.32 0.77 -0.17 0.00 0.00 175.17 176.31 2dmd h SER 49 N 0.17 -0.07 -0.28 -0.34 4.64 -2.01 -3.24 113.55 112.42 2dmd h SER 49 Ca -0.45 -0.35 0.07 0.00 -0.47 0.00 0.00 61.79 60.59 2dmd h SER 49 Cb 1.27 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2dmd h SER 49 CO 0.56 0.32 -0.24 0.28 -0.87 0.00 0.00 176.83 176.88 2dmd h SER 50 N -0.48 -0.78 -0.94 4.97 0.02 -1.99 -0.27 113.55 114.09 2dmd h SER 50 Ca -0.01 0.15 0.25 0.00 -0.84 0.00 0.00 61.79 61.33 2dmd h SER 50 Cb 0.42 0.37 -0.17 0.00 0.14 0.00 0.00 62.40 63.16 2dmd h SER 50 CO 0.01 -0.27 0.02 -1.28 -1.14 0.00 0.00 176.83 174.17 2dmd h SER 51 N -0.23 -0.45 -0.15 3.07 0.87 -1.97 0.27 113.55 114.96 2dmd h SER 51 Ca 0.15 0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 2dmd h SER 51 Cb 0.46 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2dmd h SER 51 CO -0.41 -0.31 -0.30 0.25 -0.53 0.00 0.00 176.83 175.53 2dmd h LEU 52 N 0.04 0.52 -0.84 2.23 5.85 -1.27 -3.24 115.31 118.60 2dmd h LEU 52 Ca 0.55 -0.56 0.20 0.00 0.84 0.00 0.00 57.88 58.92 2dmd h LEU 52 Cb 1.10 -0.15 -0.15 0.00 0.37 0.00 0.00 40.66 41.83 2dmd h LEU 52 CO -0.87 0.98 -0.02 0.78 -0.34 0.00 0.00 178.44 178.97 2dmd h ASN 53 N 0.08 -0.45 -0.58 1.25 2.35 0.12 0.96 115.58 119.31 2dmd h ASN 53 Ca 0.00 0.23 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 2dmd h ASN 53 Cb 0.89 0.41 -0.03 0.00 0.05 0.00 0.00 38.32 39.64 2dmd h ASN 53 CO 0.07 -0.24 0.39 0.50 -1.65 0.00 0.00 177.43 176.50 2dmd h LYS 54 N 0.07 0.35 0.64 0.81 3.11 -1.35 -2.74 116.57 117.46 2dmd h LYS 54 Ca 0.46 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.25 2dmd h LYS 54 Cb 0.84 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2dmd h LYS 54 CO -0.77 0.23 -0.31 1.25 -2.81 0.00 0.00 179.45 177.05 2dmd h HIS 55 N 0.36 -0.80 -0.34 1.91 2.76 0.86 -2.91 115.15 117.00 2dmd h HIS 55 Ca 0.27 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.52 2dmd h HIS 55 Cb 0.56 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 2dmd h HIS 55 CO -0.00 -0.49 0.85 -0.07 -1.30 0.00 0.00 177.93 176.92 2dmd h LEU 56 N -1.22 0.00 -0.10 0.26 3.38 -1.13 0.69 115.31 117.19 2dmd h LEU 56 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2dmd h LEU 56 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dmd h LEU 56 CO 0.14 0.00 -0.26 0.03 0.09 0.00 0.00 178.44 178.44 2dmd h ARG 57 N 0.00 0.36 -0.83 1.13 3.08 -1.35 -3.16 114.38 113.61 2dmd h ARG 57 Ca 0.16 -0.25 0.17 0.00 0.07 0.00 0.00 59.98 60.13 2dmd h ARG 57 Cb 1.86 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.89 2dmd h ARG 57 CO -0.00 0.86 0.55 -0.84 -1.07 0.00 0.00 179.97 179.47 2dmd h ILE 58 N -0.08 0.75 -0.42 2.04 3.07 0.39 -3.34 117.51 119.92 2dmd h ILE 58 Ca -0.00 -0.15 -0.23 0.00 1.55 0.00 0.00 64.86 66.03 2dmd h ILE 58 Cb 0.87 0.27 -0.03 0.00 -0.27 0.00 0.00 36.82 37.66 2dmd h ILE 58 CO 0.06 0.08 0.69 -1.00 -1.05 0.00 0.00 178.15 176.93 2dmd s HIS 59 N -5.44 1.69 -0.05 0.16 3.76 -1.19 -4.71 115.29 109.51 2dmd s HIS 59 Ca -0.08 1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 55.87 2dmd s HIS 59 Cb 0.22 -3.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.10 2dmd s HIS 59 CO 0.78 -1.21 -0.02 0.77 -0.85 0.00 0.00 174.74 174.20 2dmd h SER 60 N 10.70 0.00 -5.31 1.40 0.02 -1.86 -3.50 113.55 115.00 2dmd h SER 60 Ca 0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2dmd h SER 60 Cb 0.97 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.37 2dmd h SER 60 CO 1.16 0.25 -0.49 1.51 -1.14 0.00 0.00 176.83 178.12 2dmd s ASP 61 N -4.23 0.20 0.46 3.07 -4.77 -1.26 -5.16 116.67 104.98 2dmd s ASP 61 Ca -0.02 -0.99 -0.10 0.00 -3.30 0.00 0.00 52.55 48.14 2dmd s ASP 61 Cb 0.00 0.35 -0.06 0.00 -1.09 0.00 0.00 42.92 42.12 2dmd s ASP 61 CO 0.03 -0.78 0.83 -0.70 0.70 0.00 0.00 175.17 175.25 2dmd s GLU 62 N -3.98 3.72 -0.25 2.11 2.12 -1.26 -5.06 118.70 116.11 2dmd s GLU 62 Ca 0.17 0.50 0.02 0.00 0.36 0.00 0.00 54.97 56.02 2dmd s GLU 62 Cb 0.06 -2.32 0.06 0.00 0.26 0.00 0.00 34.13 32.19 2dmd s GLU 62 CO -0.02 -0.17 -0.08 1.03 -0.54 0.00 0.00 175.26 175.48 2dmd s ARG 63 N -4.25 1.87 0.20 4.30 0.52 -1.26 -4.72 118.95 115.61 2dmd s ARG 63 Ca 0.52 -1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2dmd s ARG 63 Cb -0.10 -2.71 0.15 0.00 0.52 0.00 0.00 34.95 32.81 2dmd s ARG 63 CO 0.37 -0.59 1.56 -1.00 0.02 0.00 0.00 175.30 175.66 2dmd h PRO 64 N 7.88 0.64 -6.68 3.54 0.13 -1.86 -3.44 132.00 132.19 2dmd h PRO 64 Ca -0.18 -0.33 -0.51 0.00 -0.87 0.00 0.00 66.00 64.10 2dmd h PRO 64 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dmd h PRO 64 CO 0.43 0.94 0.46 -0.06 -0.23 0.00 0.00 178.00 179.54 2dmd s PHE 65 N -4.24 3.64 -0.03 1.56 0.08 -1.22 -5.03 117.98 112.74 2dmd s PHE 65 Ca -0.08 1.66 -0.00 0.00 0.12 0.00 0.00 56.93 58.62 2dmd s PHE 65 Cb 0.12 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 2dmd s PHE 65 CO 0.84 -0.45 0.04 0.15 -0.10 0.00 0.00 175.22 175.70 2dmd s LYS 66 N -0.60 -0.03 0.14 0.44 -0.14 -1.26 -3.12 119.74 115.17 2dmd s LYS 66 Ca 0.48 0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 55.00 2dmd s LYS 66 Cb -0.29 -0.25 -0.07 0.00 -1.68 0.00 0.00 37.83 35.54 2dmd s LYS 66 CO 0.35 -0.18 1.13 0.00 -0.76 0.00 0.00 175.35 175.90 2dmd h GLN 68 N 5.67 -0.51 0.14 0.00 4.20 -1.99 -3.34 115.11 119.29 2dmd h GLN 68 Ca -0.43 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 2dmd h GLN 68 Cb 1.21 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 2dmd h GLN 68 CO 0.75 -0.21 -0.18 0.82 -0.67 0.00 0.00 178.83 179.35 2dmd h ILE 69 N -0.82 0.00 -2.82 2.54 2.04 -2.01 -3.43 117.51 113.02 2dmd h ILE 69 Ca -0.05 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.22 2dmd h ILE 69 Cb 0.54 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2dmd h ILE 69 CO 0.09 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.72 2dmd n PRO 71 N -0.05 0.49 -0.82 0.00 -0.04 -1.26 -3.84 135.00 129.48 2dmd n PRO 71 Ca -0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 2dmd n PRO 71 Cb 0.53 -1.15 0.11 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.65 -1.58 -3.60 0.54 9.36 -1.26 -4.77 117.16 115.19 2dmd n TYR 72 Ca 0.04 0.34 -0.16 0.00 3.32 0.00 0.00 57.90 61.44 2dmd n TYR 72 Cb 0.02 -1.50 -0.07 0.00 -0.63 0.00 0.00 39.34 37.16 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 -2.14 -1.55 0.01 2.98 0.00 -1.26 -3.23 121.76 116.58 2dmd s ALA 73 Ca 0.47 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 2dmd s ALA 73 Cb -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2dmd s ALA 73 CO 0.67 -0.33 0.23 0.45 0.00 0.00 0.00 175.76 176.78 2dmd s SER 74 N -0.70 -0.06 -0.11 0.00 0.15 -1.18 -5.05 113.70 106.74 2dmd s SER 74 Ca -0.08 -0.14 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 2dmd s SER 74 Cb -0.02 0.28 -0.27 0.00 -1.71 0.00 0.00 66.02 64.30 2dmd s SER 74 CO 0.06 -0.47 0.65 -0.09 1.20 0.00 0.00 173.24 174.58 2dmd h ARG 75 N 3.80 0.18 -7.49 5.44 9.65 -1.89 -3.24 114.38 120.83 2dmd h ARG 75 Ca -0.31 -0.31 -0.46 0.00 -1.10 0.00 0.00 59.98 57.81 2dmd h ARG 75 Cb 1.19 0.12 0.12 0.00 -1.39 0.00 0.00 29.97 30.00 2dmd h ARG 75 CO 0.43 1.15 0.29 -0.80 2.80 0.00 0.00 179.97 183.84 2dmd s ASN 76 N -6.84 3.94 -0.19 -3.80 0.01 -1.26 -4.77 114.94 102.04 2dmd s ASN 76 Ca -0.19 0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 51.98 2dmd s ASN 76 Cb 0.02 -0.48 -0.09 0.00 0.41 0.00 0.00 41.25 41.11 2dmd s ASN 76 CO 0.75 -2.17 -0.14 -0.24 -1.51 0.00 0.00 177.10 173.78 2dmd n SER 77 N -3.28 1.87 -0.22 -1.22 2.88 -1.26 -4.34 113.62 108.06 2dmd n SER 77 Ca 0.13 0.47 -0.07 0.00 -1.33 0.00 0.00 58.87 58.07 2dmd n SER 77 Cb 0.60 -0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.39 -0.98 -3.46 0.87 -1.99 0.10 113.55 105.70 2dmd h SER 78 Ca -0.20 0.24 0.26 0.00 -1.23 0.00 0.00 61.79 60.87 2dmd h SER 78 Cb 0.99 0.65 -0.18 0.00 -0.44 0.00 0.00 62.40 63.42 2dmd h SER 78 CO -0.12 -0.32 -0.01 0.00 -0.53 0.00 0.00 176.83 175.85 2dmd n GLN 79 N -5.42 -0.08 -0.13 2.24 1.13 -1.26 0.96 117.38 114.82 2dmd n GLN 79 Ca 0.03 1.48 -0.11 0.00 -1.94 0.00 0.00 57.00 56.46 2dmd n GLN 79 Cb 0.35 -2.33 -0.02 0.00 0.11 0.00 0.00 30.24 28.35 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dmd h LEU 80 N 0.00 0.74 -0.69 1.08 5.85 -1.02 -1.48 115.31 119.79 2dmd h LEU 80 Ca 0.58 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 59.10 2dmd h LEU 80 Cb 1.18 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.89 2dmd h LEU 80 CO -0.93 0.92 0.05 0.74 -0.34 0.00 0.00 178.44 178.87 2dmd h THR 81 N 0.55 0.46 -0.05 1.05 2.02 0.14 -0.22 112.91 116.86 2dmd h THR 81 Ca 0.10 -0.05 -0.24 0.00 0.77 0.00 0.00 66.41 66.99 2dmd h THR 81 Cb 0.58 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2dmd h THR 81 CO 0.03 0.03 -0.92 0.58 0.37 0.00 0.00 175.52 175.61 2dmd h VAL 82 N 0.15 1.32 -0.99 3.16 2.07 -1.31 -3.24 116.25 117.41 2dmd h VAL 82 Ca 0.37 -2.21 0.14 0.00 0.82 0.00 0.00 66.70 65.82 2dmd h VAL 82 Cb 0.63 2.26 -0.09 0.00 -1.52 0.00 0.00 31.29 32.57 2dmd h VAL 82 CO -0.56 0.68 0.62 -0.74 0.02 0.00 0.00 177.57 177.59 2dmd h HIS 83 N 0.39 1.10 -0.05 1.57 6.17 -0.05 0.22 115.15 124.49 2dmd h HIS 83 Ca -0.09 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.04 2dmd h HIS 83 Cb 1.56 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 31.14 2dmd h HIS 83 CO 0.08 0.40 0.08 -0.07 0.71 0.00 0.00 177.93 179.13 2dmd h LEU 84 N 0.93 0.00 -0.15 0.26 3.38 -1.12 -0.30 115.31 118.30 2dmd h LEU 84 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2dmd h LEU 84 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dmd h LEU 84 CO -0.28 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.79 2dmd n ARG 85 N -3.60 0.02 0.10 1.13 5.12 0.77 -0.92 116.66 119.28 2dmd n ARG 85 Ca -0.02 0.48 -0.01 0.00 -1.93 0.00 0.00 57.85 56.38 2dmd n ARG 85 Cb 0.17 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 2dmd n ARG 85 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2dmd h SER 86 N 0.00 0.00 -0.91 0.55 0.02 -1.19 -3.28 113.55 108.74 2dmd h SER 86 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2dmd h SER 86 Cb 0.03 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.28 2dmd h SER 86 CO 0.00 0.67 0.53 1.41 -1.14 0.00 0.00 176.83 178.30 2dmd n HIS 87 N -3.23 2.92 -3.64 3.45 8.25 -0.10 -4.91 115.22 117.96 2dmd n HIS 87 Ca -0.00 -2.49 -0.05 0.00 -0.26 0.00 0.00 57.72 54.92 2dmd n HIS 87 Cb 0.82 -1.10 -0.07 0.00 1.12 0.00 0.00 29.99 30.76 2dmd n HIS 87 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dmd s THR 88 N -4.24 0.00 0.00 1.59 -1.32 -1.24 -5.03 115.64 105.41 2dmd s THR 88 Ca 0.59 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 2dmd s THR 88 Cb 0.48 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 2dmd s THR 88 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 2dmd n GLY 89 N 2.62 0.49 2.95 6.08 0.00 -1.26 -4.81 105.19 111.25 2dmd n GLY 89 Ca -0.14 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.63 4.60 -0.23 1.61 1.47 -1.26 -5.04 116.67 116.19 2dmd s ASP 90 Ca 0.00 -3.29 -0.10 0.00 1.18 0.00 0.00 52.55 50.33 2dmd s ASP 90 Cb 0.00 -1.66 0.09 0.00 -0.34 0.00 0.00 42.92 41.00 2dmd s ASP 90 CO 0.00 -0.19 0.53 -0.94 0.68 0.00 0.00 175.17 175.25 2dmd s SER 91 N -0.59 -0.68 0.00 2.11 1.04 -1.26 -5.09 113.70 109.24 2dmd s SER 91 Ca 0.20 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2dmd s SER 91 Cb -0.18 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.33 2dmd s SER 91 CO -0.06 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2dmd n GLY 92 N 4.83 -1.58 3.77 7.32 0.00 -1.26 -5.15 105.19 113.12 2dmd n GLY 92 Ca -0.16 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.23 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 0.73 3.71 -0.20 1.61 0.04 -1.26 -4.93 135.00 134.70 2dmd s PRO 93 Ca 0.00 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2dmd s PRO 93 Cb 0.00 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2dmd s PRO 93 CO 0.00 -0.59 1.92 -1.12 0.04 0.00 0.00 177.00 177.25 2dmd s SER 94 N -1.41 5.96 0.39 6.66 0.01 -1.26 -4.98 113.70 119.07 2dmd s SER 94 Ca 0.65 1.82 0.07 0.00 1.31 0.00 0.00 55.95 59.80 2dmd s SER 94 Cb -0.28 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2dmd s SER 94 CO 0.34 -1.57 0.53 -0.44 0.41 0.00 0.00 173.24 172.51 2dmd s SER 95 N 6.09 5.77 0.00 2.44 0.01 -1.26 -5.30 113.70 121.44 2dmd s SER 95 Ca 0.86 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2dmd s SER 95 Cb -0.30 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.05 2dmd s SER 95 CO 0.34 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.97