#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crn s SER 2 N 0.00 4.34 -0.01 1.61 0.01 -1.26 -5.09 113.70 113.30 2crn s SER 2 Ca 0.00 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.88 2crn s SER 2 Cb 0.00 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 2crn s SER 2 CO 0.00 -0.81 -0.05 -1.54 0.41 0.00 0.00 173.24 171.25 2crn n SER 3 N -1.38 0.60 0.00 2.44 3.41 -1.26 -5.14 113.62 112.30 2crn n SER 3 Ca -0.08 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2crn n SER 3 Cb 0.66 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2crn n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crn n GLY 4 N 2.88 0.63 3.51 5.00 0.00 -1.26 -5.08 105.19 110.87 2crn n GLY 4 Ca -0.06 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2crn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crn s SER 5 N 2.00 6.32 0.18 1.61 0.15 -1.26 -4.89 113.70 117.82 2crn s SER 5 Ca 0.00 -1.10 -0.15 0.00 0.70 0.00 0.00 55.95 55.40 2crn s SER 5 Cb 0.00 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 61.97 2crn s SER 5 CO 0.00 -1.52 1.66 -1.28 1.20 0.00 0.00 173.24 173.30 2crn h SER 6 N 9.65 -0.38 0.00 5.45 0.87 -2.04 -3.47 113.55 123.64 2crn h SER 6 Ca -0.09 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2crn h SER 6 Cb 1.04 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2crn h SER 6 CO 1.26 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.04 2crn n GLY 7 N -1.34 0.97 3.53 5.77 0.00 -1.26 -4.86 105.19 108.00 2crn n GLY 7 Ca 0.05 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2crn n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crn s SER 8 N -4.00 5.29 -0.07 1.61 1.04 -1.26 -5.09 113.70 111.22 2crn s SER 8 Ca 0.00 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 2crn s SER 8 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 64.23 2crn s SER 8 CO 0.00 0.09 0.30 -0.94 0.98 0.00 0.00 173.24 173.67 2crn s SER 9 N 0.89 -0.25 0.00 7.02 1.04 -1.26 -5.02 113.70 116.11 2crn s SER 9 Ca 0.03 0.38 0.15 0.00 0.48 0.00 0.00 55.95 56.98 2crn s SER 9 Cb -0.14 0.49 0.89 0.00 0.10 0.00 0.00 66.02 67.36 2crn s SER 9 CO 0.02 -0.25 1.31 -0.81 0.98 0.00 0.00 173.24 174.49 2crn n PRO 10 N 2.20 0.49 0.06 4.02 -0.04 -1.26 -3.54 135.00 136.94 2crn n PRO 10 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2crn n PRO 10 Cb 0.57 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2crn n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2crn h SER 11 N 0.00 -0.33 0.93 3.54 0.02 -2.01 0.18 113.55 115.88 2crn h SER 11 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2crn h SER 11 Cb 0.00 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2crn h SER 11 CO 0.00 -0.17 0.00 0.18 -1.14 0.00 0.00 176.83 175.70 2crn n LEU 12 N -5.24 0.71 0.02 5.07 4.32 -1.23 -2.63 117.00 118.02 2crn n LEU 12 Ca -0.06 0.64 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 2crn n LEU 12 Cb 0.16 -0.51 -0.12 0.00 -1.62 0.00 0.00 43.42 41.33 2crn n LEU 12 CO 0.28 -0.46 -0.20 -0.07 -1.22 0.00 0.00 177.39 175.71 2crn h LEU 13 N 0.00 0.00 -0.74 2.23 -0.00 -1.42 -3.29 115.31 112.10 2crn h LEU 13 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 2crn h LEU 13 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.01 2crn h LEU 13 CO 0.00 0.96 -0.53 -0.33 -0.00 0.00 0.00 178.44 178.54 2crn h GLU 14 N 0.00 -0.16 -0.36 1.13 5.08 -0.45 1.95 114.58 121.77 2crn h GLU 14 Ca -0.16 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2crn h GLU 14 Cb 1.87 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 2crn h GLU 14 CO 0.10 -0.11 -0.39 -1.00 -1.00 0.00 0.00 179.01 176.61 2crn h PRO 15 N -0.16 0.88 0.00 2.33 0.13 -1.75 -0.24 132.00 133.19 2crn h PRO 15 Ca 0.16 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2crn h PRO 15 Cb 0.51 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2crn h PRO 15 CO -0.79 1.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 2crn n LEU 16 N -4.05 0.59 -0.11 1.56 4.77 -0.47 -2.43 117.00 116.86 2crn n LEU 16 Ca -0.02 0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 2crn n LEU 16 Cb 0.54 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2crn n LEU 16 CO 0.48 -0.41 -1.12 0.18 -1.33 0.00 0.00 177.39 175.20 2crn n LEU 17 N -2.12 2.28 0.31 2.23 4.77 0.65 -3.07 117.00 122.05 2crn n LEU 17 Ca 0.03 0.23 0.19 0.00 -0.03 0.00 0.00 56.01 56.43 2crn n LEU 17 Cb 0.28 -0.92 0.99 0.00 -2.33 0.00 0.00 43.42 41.44 2crn n LEU 17 CO 0.22 0.63 1.10 0.00 -1.33 0.00 0.00 177.39 178.02 2crn h ALA 18 N -0.49 1.09 0.00 -1.18 0.00 -1.05 -1.14 119.26 116.48 2crn h ALA 18 Ca -0.55 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2crn h ALA 18 Cb 1.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2crn h ALA 18 CO -0.22 0.02 -0.28 0.52 0.00 0.00 0.00 179.25 179.29 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.66 -3.47 114.93 112.66 2crn h MET 19 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2crn h MET 19 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2crn h MET 19 CO 0.00 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.67 2crn n GLY 20 N 0.55 1.04 3.77 8.32 0.00 -0.43 -5.11 105.19 113.33 2crn n GLY 20 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2crn n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2crn s PHE 21 N -0.75 3.00 0.00 1.61 0.08 -1.17 -4.99 117.98 115.75 2crn s PHE 21 Ca 0.00 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.39 2crn s PHE 21 Cb 0.00 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 2crn s PHE 21 CO 0.00 -2.07 0.00 -0.35 -0.10 0.00 0.00 175.22 172.70 2crn n PRO 22 N 0.99 0.25 -0.07 0.24 -0.04 -1.26 -4.01 135.00 131.10 2crn n PRO 22 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2crn n PRO 22 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 2crn n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2crn h VAL 23 N -0.88 0.19 -1.10 0.52 2.07 -1.95 -3.00 116.25 112.10 2crn h VAL 23 Ca 0.00 -1.22 0.31 0.00 0.82 0.00 0.00 66.70 66.61 2crn h VAL 23 Cb 0.00 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2crn h VAL 23 CO 0.00 0.07 0.78 1.12 0.02 0.00 0.00 177.57 179.55 2crn h HIS 24 N -1.00 0.11 0.06 1.57 -0.00 -1.99 0.63 115.15 114.53 2crn h HIS 24 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2crn h HIS 24 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 2crn h HIS 24 CO -0.12 0.01 -0.03 1.15 -0.00 0.00 0.00 177.93 178.94 2crn h THR 25 N 0.06 0.00 -1.04 6.12 2.02 -1.95 -3.04 112.91 115.08 2crn h THR 25 Ca 0.54 -0.91 0.27 0.00 0.77 0.00 0.00 66.41 67.08 2crn h THR 25 Cb 2.02 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.35 2crn h THR 25 CO -0.05 0.00 0.69 0.00 0.37 0.00 0.00 175.52 176.53 2crn h ALA 26 N -1.05 2.45 -0.40 6.16 0.00 -1.24 0.20 119.26 125.38 2crn h ALA 26 Ca -0.01 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2crn h ALA 26 Cb 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2crn h ALA 26 CO 0.01 -0.82 -0.17 -0.07 0.00 0.00 0.00 179.25 178.21 2crn h LEU 27 N 0.29 0.84 0.03 0.00 3.38 -1.01 -1.09 115.31 117.76 2crn h LEU 27 Ca 0.56 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2crn h LEU 27 Cb 1.63 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2crn h LEU 27 CO -0.21 1.05 -0.03 0.11 0.09 0.00 0.00 178.44 179.45 2crn h LYS 28 N 0.63 -0.07 -0.49 1.13 1.57 -0.49 0.14 116.57 118.99 2crn h LYS 28 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2crn h LYS 28 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2crn h LYS 28 CO 0.05 -0.04 0.04 0.00 -0.57 0.00 0.00 179.45 178.92 2crn h ALA 29 N 0.90 1.14 0.57 3.86 0.00 -1.41 -1.54 119.26 122.78 2crn h ALA 29 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2crn h ALA 29 Cb 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2crn h ALA 29 CO -0.01 0.56 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 2crn h LEU 30 N 0.75 -0.65 -2.22 0.00 3.38 -0.84 0.76 115.31 116.49 2crn h LEU 30 Ca 0.15 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2crn h LEU 30 Cb 0.41 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2crn h LEU 30 CO 0.01 -0.29 0.15 0.00 0.09 0.00 0.00 178.44 178.41 2crn h ALA 31 N -0.86 1.86 0.02 1.53 0.00 -0.73 0.19 119.26 121.26 2crn h ALA 31 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2crn h ALA 31 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2crn h ALA 31 CO 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 2crn h ALA 32 N 1.85 -0.03 -0.48 0.00 0.00 -1.12 -3.35 119.26 116.12 2crn h ALA 32 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2crn h ALA 32 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2crn h ALA 32 CO -0.00 -0.07 0.21 1.79 0.00 0.00 0.00 179.25 181.17 2crn h THR 33 N -0.92 1.20 0.00 0.00 1.35 -0.39 -3.47 112.91 110.69 2crn h THR 33 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2crn h THR 33 Cb 0.73 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2crn h THR 33 CO 0.01 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2crn n GLY 34 N -0.82 0.81 4.28 5.82 0.00 0.38 -4.79 105.19 110.87 2crn n GLY 34 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2crn n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crn n ARG 35 N 0.00 -0.76 -0.05 1.61 1.74 0.33 -4.81 116.66 114.73 2crn n ARG 35 Ca 0.00 0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 57.20 2crn n ARG 35 Cb 0.00 -4.34 -0.00 0.00 -1.02 0.00 0.00 32.46 27.10 2crn n ARG 35 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2crn h LYS 36 N -0.79 0.00 -1.84 5.56 1.57 -1.87 -3.50 116.57 115.71 2crn h LYS 36 Ca -0.55 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 2crn h LYS 36 Cb 1.27 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.37 2crn h LYS 36 CO 0.82 0.00 0.30 -0.08 -0.57 0.00 0.00 179.45 179.92 2crn s THR 37 N -1.62 0.00 0.17 -0.16 -1.32 -1.26 -5.05 115.64 106.39 2crn s THR 37 Ca -0.03 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.23 2crn s THR 37 Cb 0.00 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2crn s THR 37 CO 0.04 0.00 1.38 0.00 -2.21 0.00 0.00 174.62 173.83 2crn n ALA 38 N 1.30 -0.37 -0.22 11.08 0.00 -1.26 -0.96 120.51 130.08 2crn n ALA 38 Ca -0.15 0.81 -0.06 0.00 0.00 0.00 0.00 53.44 54.04 2crn n ALA 38 Cb 0.57 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 2crn n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2crn n GLU 39 N -5.20 -0.23 -0.32 0.00 1.02 -1.26 0.13 120.64 114.78 2crn n GLU 39 Ca 0.05 0.99 0.12 0.00 -0.02 0.00 0.00 57.16 58.30 2crn n GLU 39 Cb 0.29 -1.47 0.25 0.00 -0.02 0.00 0.00 31.44 30.49 2crn n GLU 39 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2crn h GLU 40 N 0.00 0.05 -0.61 3.49 3.07 -1.47 0.53 114.58 119.65 2crn h GLU 40 Ca 0.08 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.01 2crn h GLU 40 Cb 0.21 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 2crn h GLU 40 CO -0.49 0.03 0.30 0.00 -1.40 0.00 0.00 179.01 177.45 2crn h ALA 41 N 1.90 0.80 -0.97 3.43 0.00 0.11 -1.49 119.26 123.04 2crn h ALA 41 Ca 0.54 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.57 2crn h ALA 41 Cb 1.07 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2crn h ALA 41 CO -0.84 -0.07 0.63 -0.07 0.00 0.00 0.00 179.25 178.90 2crn h LEU 42 N 0.54 0.97 -1.74 0.00 -0.00 0.68 0.38 115.31 116.14 2crn h LEU 42 Ca 0.28 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.17 2crn h LEU 42 Cb 0.24 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2crn h LEU 42 CO -0.22 0.60 -0.03 0.00 -0.00 0.00 0.00 178.44 178.79 2crn h ALA 43 N 1.49 1.03 0.00 1.53 0.00 -0.76 -1.08 119.26 121.47 2crn h ALA 43 Ca 0.43 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 2crn h ALA 43 Cb 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2crn h ALA 43 CO -0.18 0.04 -1.93 1.87 0.00 0.00 0.00 179.25 179.05 2crn n TRP 44 N -3.17 0.46 0.09 0.00 -0.00 0.25 -4.07 117.44 111.00 2crn n TRP 44 Ca -0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 57.50 57.53 2crn n TRP 44 Cb 0.27 -0.99 -0.09 0.00 -0.00 0.00 0.00 31.31 30.50 2crn n TRP 44 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2crn h LEU 45 N 0.00 0.32 -1.33 5.87 3.38 -0.07 -0.16 115.31 123.31 2crn h LEU 45 Ca -0.31 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2crn h LEU 45 Cb 1.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2crn h LEU 45 CO 0.04 1.19 0.00 0.45 0.09 0.00 0.00 178.44 180.21 2crn h HIS 46 N 0.09 0.00 0.00 1.13 3.86 -1.38 -2.18 115.15 116.67 2crn h HIS 46 Ca -0.08 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.93 2crn h HIS 46 Cb 1.77 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.20 2crn h HIS 46 CO 0.04 0.00 -1.95 -3.47 0.86 0.00 0.00 177.93 173.42 2crn n ASP 47 N -2.84 1.30 -2.13 2.45 -0.08 -1.20 -4.50 116.55 109.55 2crn n ASP 47 Ca 0.01 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 2crn n ASP 47 Cb 0.27 1.12 0.08 0.00 2.34 0.00 0.00 41.12 44.92 2crn n ASP 47 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2crn n HIS 48 N -2.42 2.90 -0.08 -0.67 8.25 -0.08 -4.50 115.22 118.62 2crn n HIS 48 Ca -0.18 -2.59 -0.14 0.00 -0.26 0.00 0.00 57.72 54.54 2crn n HIS 48 Cb 0.83 -1.00 -0.07 0.00 1.12 0.00 0.00 29.99 30.86 2crn n HIS 48 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2crn s ASN 50 N -5.95 6.64 0.10 0.00 -0.87 -1.26 -4.59 114.94 109.01 2crn s ASN 50 Ca -0.23 -2.00 -0.25 0.00 -1.57 0.00 0.00 52.86 48.81 2crn s ASN 50 Cb 0.07 -2.44 0.07 0.00 -0.02 0.00 0.00 41.25 38.93 2crn s ASN 50 CO 0.35 -1.13 0.62 -1.81 -2.57 0.00 0.00 177.10 172.55 2crn s ASP 51 N 3.87 -0.59 0.41 -1.22 1.01 -1.25 -5.02 116.67 113.89 2crn s ASP 51 Ca 0.37 0.20 0.20 0.00 0.71 0.00 0.00 52.55 54.03 2crn s ASP 51 Cb -0.03 0.58 0.87 0.00 1.01 0.00 0.00 42.92 45.34 2crn s ASP 51 CO -0.08 -0.86 1.83 1.55 0.21 0.00 0.00 175.17 177.81 2crn h PRO 52 N 2.31 0.00 0.00 8.23 0.13 -2.01 -2.84 132.00 137.82 2crn h PRO 52 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2crn h PRO 52 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2crn h PRO 52 CO 0.38 0.31 -1.00 0.43 -0.23 0.00 0.00 178.00 177.90 2crn n SER 53 N -3.64 0.62 -3.81 1.44 7.64 -1.26 -4.56 113.62 110.04 2crn n SER 53 Ca -0.01 -0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.43 2crn n SER 53 Cb 0.43 0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 64.25 2crn n SER 53 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crn n LEU 54 N -2.00 2.74 -4.82 -3.43 4.77 -1.07 -5.09 117.00 108.10 2crn n LEU 54 Ca 0.02 -5.15 -0.35 0.00 -0.03 0.00 0.00 56.01 50.50 2crn n LEU 54 Cb 0.44 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2crn n LEU 54 CO 0.40 1.79 0.43 -1.81 -1.33 0.00 0.00 177.39 176.87 2crn s ASP 55 N -1.41 7.01 0.00 -1.43 1.11 -1.25 -3.80 116.67 116.91 2crn s ASP 55 Ca 0.27 1.41 -0.16 0.00 0.18 0.00 0.00 52.55 54.25 2crn s ASP 55 Cb -0.02 -2.42 0.03 0.00 1.07 0.00 0.00 42.92 41.58 2crn s ASP 55 CO -0.16 -0.02 0.34 -1.81 1.18 0.00 0.00 175.17 174.70 2crn s ASP 56 N -1.77 -0.21 0.27 0.27 1.01 -1.26 -5.05 116.67 109.92 2crn s ASP 56 Ca 0.45 0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.82 2crn s ASP 56 Cb -0.15 0.34 0.38 0.00 1.01 0.00 0.00 42.92 44.50 2crn s ASP 56 CO 0.20 -0.51 1.65 1.55 0.21 0.00 0.00 175.17 178.27 2crn h PRO 57 N 3.59 0.28 -5.54 8.23 0.13 -1.99 -3.40 132.00 133.30 2crn h PRO 57 Ca -0.30 -0.15 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 2crn h PRO 57 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2crn h PRO 57 CO 0.42 0.68 0.57 0.42 -0.23 0.00 0.00 178.00 179.86 2crn s ILE 58 N -4.06 3.33 0.16 -3.56 1.01 -1.26 -4.90 121.20 111.92 2crn s ILE 58 Ca -0.05 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2crn s ILE 58 Cb 0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2crn s ILE 58 CO 0.78 -0.67 -0.15 -0.94 0.00 0.00 0.00 174.94 173.96 2crn s SER 59 N 8.44 2.32 0.00 3.58 1.04 -1.26 -5.09 113.70 122.73 2crn s SER 59 Ca 0.76 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2crn s SER 59 Cb -0.07 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2crn s SER 59 CO 0.05 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2crn n GLY 60 N 0.18 3.12 3.76 7.32 0.00 -1.26 -5.15 105.19 113.15 2crn n GLY 60 Ca -0.12 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2crn n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crn s PRO 61 N 0.90 4.45 0.30 1.61 0.04 -1.26 -4.96 135.00 136.08 2crn s PRO 61 Ca 0.00 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2crn s PRO 61 Cb 0.00 -3.13 -0.12 0.00 0.04 0.00 0.00 34.50 31.29 2crn s PRO 61 CO 0.00 -0.07 1.55 0.45 0.04 0.00 0.00 177.00 178.97 2crn n SER 62 N 1.21 3.69 -3.77 6.66 2.88 -1.26 -5.00 113.62 118.03 2crn n SER 62 Ca 0.01 1.16 -0.19 0.00 -1.33 0.00 0.00 58.87 58.52 2crn n SER 62 Cb 0.43 -1.58 -0.17 0.00 -0.75 0.00 0.00 64.21 62.14 2crn n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crn s SER 63 N 0.34 0.88 0.00 -3.46 0.01 -1.26 -5.35 113.70 104.86 2crn s SER 63 Ca 0.62 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2crn s SER 63 Cb -0.51 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2crn s SER 63 CO 0.52 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.62