#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 -0.91 -0.11 1.61 0.15 -1.26 -5.15 113.70 108.03 2crn s SER 2 Ca 0.00 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.13 2crn s SER 2 Cb 0.00 1.35 0.01 0.00 -1.71 0.00 0.00 66.02 65.67 2crn s SER 2 CO 0.00 -0.23 -0.18 -0.44 1.20 0.00 0.00 173.24 173.59 2crn s SER 3 N 1.65 2.65 -0.73 5.45 0.01 -1.26 -5.06 113.70 116.42 2crn s SER 3 Ca -0.10 -0.48 -0.32 0.00 1.31 0.00 0.00 55.95 56.36 2crn s SER 3 Cb -0.06 -1.21 -0.16 0.00 0.21 0.00 0.00 66.02 64.81 2crn s SER 3 CO -0.19 0.05 2.50 0.61 0.41 0.00 0.00 173.24 176.62 2crn n GLY 4 N 4.09 -0.15 3.88 3.44 0.00 -1.26 -4.90 105.19 110.30 2crn n GLY 4 Ca -0.19 1.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.51 2crn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crn s SER 5 N 9.27 6.56 0.15 1.61 1.04 -1.26 -5.00 113.70 126.07 2crn s SER 5 Ca 1.21 0.80 -0.24 0.00 0.48 0.00 0.00 55.95 58.20 2crn s SER 5 Cb -0.96 -2.18 -0.14 0.00 0.10 0.00 0.00 66.02 62.84 2crn s SER 5 CO 0.45 -0.06 0.47 -1.54 0.98 0.00 0.00 173.24 173.54 2crn n SER 6 N -0.19 -0.95 0.00 7.02 3.41 -1.26 -4.90 113.62 116.75 2crn n SER 6 Ca -0.01 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2crn n SER 6 Cb 0.52 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2crn n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crn n GLY 7 N 1.62 -1.11 3.83 5.00 0.00 -1.26 -5.16 105.19 108.11 2crn n GLY 7 Ca 0.15 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2crn n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crn s SER 8 N -4.00 5.98 0.04 1.61 0.01 -1.26 -5.11 113.70 110.96 2crn s SER 8 Ca 0.00 0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.63 2crn s SER 8 Cb 0.00 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 2crn s SER 8 CO 0.00 0.32 -0.26 -0.94 0.41 0.00 0.00 173.24 172.77 2crn s SER 9 N -1.50 3.12 0.00 2.44 1.04 -1.26 -5.01 113.70 112.53 2crn s SER 9 Ca 0.21 -0.57 0.14 0.00 0.48 0.00 0.00 55.95 56.21 2crn s SER 9 Cb -0.12 -0.29 0.63 0.00 0.10 0.00 0.00 66.02 66.33 2crn s SER 9 CO 0.11 0.26 1.45 -0.81 0.98 0.00 0.00 173.24 175.23 2crn n PRO 10 N 1.88 0.03 0.28 4.02 -0.04 -1.26 -3.52 135.00 136.39 2crn n PRO 10 Ca -0.17 0.24 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2crn n PRO 10 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.06 0.73 3.54 0.02 -2.01 -0.28 113.55 114.50 2crn h SER 11 Ca 0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2crn h SER 11 Cb 0.23 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2crn h SER 11 CO 0.00 -0.57 -0.10 -0.07 -1.14 0.00 0.00 176.83 174.95 2crn h LEU 12 N -0.86 0.00 -0.70 5.07 3.38 -2.00 -2.56 115.31 117.64 2crn h LEU 12 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2crn h LEU 12 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2crn h LEU 12 CO -0.02 0.10 -0.61 -0.07 0.09 0.00 0.00 178.44 177.93 2crn h LEU 13 N 0.00 0.16 -0.75 1.67 -0.00 -1.49 -3.11 115.31 111.78 2crn h LEU 13 Ca -0.00 -0.09 0.08 0.00 -0.00 0.00 0.00 57.88 57.87 2crn h LEU 13 Cb 0.50 -0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 41.00 2crn h LEU 13 CO 0.01 0.73 -0.53 -0.33 -0.00 0.00 0.00 178.44 178.32 2crn h GLU 14 N 0.10 -0.15 -0.37 1.13 5.08 -0.64 1.97 114.58 121.70 2crn h GLU 14 Ca -0.01 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2crn h GLU 14 Cb 1.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2crn h GLU 14 CO 0.09 -0.10 -0.39 -1.00 -1.00 0.00 0.00 179.01 176.61 2crn h PRO 15 N -0.16 0.91 0.00 2.33 0.13 -1.74 -0.31 132.00 133.15 2crn h PRO 15 Ca 0.16 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 -0.80 1.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.38 2crn n LEU 16 N -4.05 0.57 -0.11 1.56 4.77 -0.47 -2.40 117.00 116.86 2crn n LEU 16 Ca -0.02 0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 2crn n LEU 16 Cb 0.55 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2crn n LEU 16 CO 0.48 -0.40 -1.12 0.18 -1.33 0.00 0.00 177.39 175.20 2crn n LEU 17 N -2.10 2.27 0.31 2.23 4.77 0.66 -2.83 117.00 122.31 2crn n LEU 17 Ca 0.03 0.23 0.19 0.00 -0.03 0.00 0.00 56.01 56.44 2crn n LEU 17 Cb 0.27 -0.92 0.99 0.00 -2.33 0.00 0.00 43.42 41.43 2crn n LEU 17 CO 0.22 0.63 1.10 0.00 -1.33 0.00 0.00 177.39 178.01 2crn h ALA 18 N -0.50 1.08 0.00 -1.18 0.00 -1.06 -1.41 119.26 116.20 2crn h ALA 18 Ca -0.55 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2crn h ALA 18 Cb 1.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 2crn h ALA 18 CO -0.23 0.02 -0.58 0.52 0.00 0.00 0.00 179.25 178.99 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.65 -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 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2crn h MET 19 CO 0.00 0.58 0.00 0.41 1.06 0.00 0.00 176.91 178.97 2crn n GLY 20 N 0.70 1.20 3.76 8.32 0.00 -0.53 -5.12 105.19 113.52 2crn n GLY 20 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.60 3.13 0.00 1.61 0.08 -1.13 -4.99 117.98 116.08 2crn s PHE 21 Ca 0.00 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2crn s PHE 21 Cb 0.00 -3.64 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 2crn s PHE 21 CO 0.00 -1.77 0.00 -0.35 -0.10 0.00 0.00 175.22 173.00 2crn n PRO 22 N 1.14 0.23 -0.07 0.24 -0.04 -1.26 -3.92 135.00 131.32 2crn n PRO 22 Ca 0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2crn n PRO 22 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.89 0.13 -1.06 0.52 2.07 -1.96 -2.98 116.25 112.09 2crn h VAL 23 Ca 0.00 -1.15 0.28 0.00 0.82 0.00 0.00 66.70 66.65 2crn h VAL 23 Cb 0.00 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 2crn h VAL 23 CO 0.00 0.05 0.67 1.12 0.02 0.00 0.00 177.57 179.43 2crn h HIS 24 N -1.00 0.69 0.24 1.57 -0.00 -1.99 0.11 115.15 114.77 2crn h HIS 24 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2crn h HIS 24 Cb 0.51 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2crn h HIS 24 CO -0.14 0.03 -0.12 1.15 -0.00 0.00 0.00 177.93 178.86 2crn h THR 25 N 0.39 0.21 -1.03 6.12 2.02 -1.96 -2.88 112.91 115.78 2crn h THR 25 Ca 0.62 -0.86 0.26 0.00 0.77 0.00 0.00 66.41 67.21 2crn h THR 25 Cb 1.57 0.37 -0.10 0.00 -1.74 0.00 0.00 68.15 68.25 2crn h THR 25 CO -0.34 0.06 0.66 0.00 0.37 0.00 0.00 175.52 176.27 2crn h ALA 26 N -0.92 2.16 -0.23 6.16 0.00 -1.22 0.71 119.26 125.93 2crn h ALA 26 Ca -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2crn h ALA 26 Cb 0.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2crn h ALA 26 CO 0.05 -0.57 0.01 -0.07 0.00 0.00 0.00 179.25 178.67 2crn h LEU 27 N 0.43 0.39 -0.14 0.00 3.38 -0.88 -0.20 115.31 118.28 2crn h LEU 27 Ca 0.60 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2crn h LEU 27 Cb 1.45 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2crn h LEU 27 CO -0.32 0.59 -0.04 0.11 0.09 0.00 0.00 178.44 178.87 2crn h LYS 28 N 0.18 -0.00 -0.66 1.13 1.57 -0.65 -0.08 116.57 118.06 2crn h LYS 28 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2crn h LYS 28 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2crn h LYS 28 CO 0.01 -0.00 0.20 0.00 -0.57 0.00 0.00 179.45 179.09 2crn h ALA 29 N 1.14 0.86 0.50 3.86 0.00 -1.31 -1.90 119.26 122.41 2crn h ALA 29 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2crn h ALA 29 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2crn h ALA 29 CO -0.15 0.54 -0.24 -0.07 0.00 0.00 0.00 179.25 179.33 2crn h LEU 30 N 0.96 -0.58 -1.98 0.00 3.38 -0.60 -1.14 115.31 115.35 2crn h LEU 30 Ca 0.21 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.45 2crn h LEU 30 Cb 0.31 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2crn h LEU 30 CO -0.01 -0.41 0.62 0.00 0.09 0.00 0.00 178.44 178.73 2crn h ALA 31 N -1.68 2.79 -0.28 1.53 0.00 -1.07 0.85 119.26 121.40 2crn h ALA 31 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2crn h ALA 31 Cb 0.52 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2crn h ALA 31 CO 0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 179.25 178.17 2crn h ALA 32 N 1.57 0.40 -0.91 0.00 0.00 -1.01 -3.24 119.26 116.07 2crn h ALA 32 Ca 0.41 -0.33 -0.71 0.00 0.00 0.00 0.00 54.91 54.28 2crn h ALA 32 Cb 1.62 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 19.08 2crn h ALA 32 CO -0.01 0.29 1.06 0.25 0.00 0.00 0.00 179.25 180.84 2crn n THR 33 N -4.41 4.31 -1.23 0.00 -2.24 0.17 -4.79 114.28 106.08 2crn n THR 33 Ca -0.03 -4.40 -0.05 0.00 -2.27 0.00 0.00 64.05 57.30 2crn n THR 33 Cb 0.38 -1.49 -0.02 0.00 -2.10 0.00 0.00 70.33 67.10 2crn n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2crn n GLY 34 N 0.15 0.39 3.78 3.38 0.00 -1.18 -2.09 105.19 109.62 2crn n GLY 34 Ca 0.52 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 2crn n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2crn n ARG 35 N -1.41 -0.90 0.08 1.61 1.85 0.27 -4.81 116.66 113.35 2crn n ARG 35 Ca -0.05 0.08 -0.05 0.00 -1.00 0.00 0.00 57.85 56.83 2crn n ARG 35 Cb 0.18 -2.87 -0.03 0.00 -1.05 0.00 0.00 32.46 28.70 2crn n ARG 35 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2crn h LYS 36 N -0.89 -0.28 -3.75 2.89 1.57 -1.67 -3.49 116.57 110.95 2crn h LYS 36 Ca -0.46 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 2crn h LYS 36 Cb 1.01 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.24 2crn h LYS 36 CO 0.56 -0.14 -0.36 -0.08 -0.57 0.00 0.00 179.45 178.86 2crn s THR 37 N -2.60 0.13 0.17 -0.16 -1.32 -1.26 -5.06 115.64 105.54 2crn s THR 37 Ca -0.05 -1.11 -0.21 0.00 -1.21 0.00 0.00 61.69 59.11 2crn s THR 37 Cb 0.00 -1.27 0.08 0.00 -1.51 0.00 0.00 72.50 69.80 2crn s THR 37 CO 0.17 -0.61 1.61 0.00 -2.21 0.00 0.00 174.62 173.58 2crn h ALA 38 N 2.84 -0.07 -0.86 11.08 0.00 -1.94 -2.35 119.26 127.96 2crn h ALA 38 Ca -0.34 0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2crn h ALA 38 Cb 1.20 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 2crn h ALA 38 CO 0.55 -0.66 -0.55 0.93 0.00 0.00 0.00 179.25 179.51 2crn h GLU 39 N -0.21 -0.06 -0.89 0.00 5.08 -1.97 0.30 114.58 116.83 2crn h GLU 39 Ca 0.18 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.76 2crn h GLU 39 Cb 0.50 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 29.60 2crn h GLU 39 CO -0.51 -0.04 -0.01 0.93 -1.00 0.00 0.00 179.01 178.39 2crn h GLU 40 N -0.06 0.05 -0.53 2.33 3.07 -1.81 0.39 114.58 118.02 2crn h GLU 40 Ca 0.14 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.06 2crn h GLU 40 Cb 0.41 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 2crn h GLU 40 CO -0.84 0.03 0.21 0.00 -1.40 0.00 0.00 179.01 177.01 2crn h ALA 41 N 1.86 0.66 -0.99 3.43 0.00 -0.32 -1.52 119.26 122.39 2crn h ALA 41 Ca 0.50 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.58 2crn h ALA 41 Cb 0.95 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2crn h ALA 41 CO -0.82 -0.18 0.62 -0.07 0.00 0.00 0.00 179.25 178.80 2crn h LEU 42 N 0.40 0.94 -2.09 0.00 -0.00 0.40 0.20 115.31 115.15 2crn h LEU 42 Ca 0.25 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.15 2crn h LEU 42 Cb 0.26 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2crn h LEU 42 CO -0.24 0.53 -0.08 0.00 -0.00 0.00 0.00 178.44 178.66 2crn h ALA 43 N 1.51 1.24 0.00 1.53 0.00 -0.74 -0.92 119.26 121.88 2crn h ALA 43 Ca 0.47 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 2crn h ALA 43 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2crn h ALA 43 CO -0.24 0.10 -1.80 1.87 0.00 0.00 0.00 179.25 179.18 2crn n TRP 44 N -3.53 0.87 0.01 0.00 -0.00 0.43 -3.85 117.44 111.37 2crn n TRP 44 Ca -0.02 0.31 -0.14 0.00 -0.00 0.00 0.00 57.50 57.65 2crn n TRP 44 Cb 0.20 -1.16 -0.03 0.00 -0.00 0.00 0.00 31.31 30.32 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 0.74 -1.51 5.87 3.38 -0.29 0.24 115.31 123.74 2crn h LEU 45 Ca -0.32 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2crn h LEU 45 Cb 2.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2crn h LEU 45 CO 0.07 1.26 0.00 0.45 0.09 0.00 0.00 178.44 180.32 2crn h HIS 46 N 0.42 0.00 0.00 1.13 3.86 -1.35 -2.23 115.15 116.98 2crn h HIS 46 Ca -0.05 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.93 2crn h HIS 46 Cb 1.38 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.80 2crn h HIS 46 CO 0.07 0.00 -2.11 -0.25 0.86 0.00 0.00 177.93 176.50 2crn n ASP 47 N -2.94 0.67 -2.34 2.45 9.92 -1.14 -4.48 116.55 118.69 2crn n ASP 47 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 2crn n ASP 47 Cb 0.26 1.19 0.04 0.00 -0.64 0.00 0.00 41.12 41.98 2crn n ASP 47 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2crn n HIS 48 N -2.51 3.06 -0.08 1.24 8.25 0.83 -4.54 115.22 121.47 2crn n HIS 48 Ca -0.22 -2.66 -0.11 0.00 -0.26 0.00 0.00 57.72 54.47 2crn n HIS 48 Cb 0.91 -0.84 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 2crn n HIS 48 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2crn h ASN 50 N 0.00 -0.53 -1.49 0.00 -1.24 -1.85 -3.40 115.58 107.07 2crn h ASN 50 Ca -0.37 0.16 -0.64 0.00 0.71 0.00 0.00 56.30 56.16 2crn h ASN 50 Cb 1.58 0.34 0.14 0.00 0.73 0.00 0.00 38.32 41.11 2crn h ASN 50 CO -0.05 -0.19 -0.73 0.47 -1.29 0.00 0.00 177.43 175.64 2crn n ASP 51 N -5.38 -2.05 -0.04 1.15 9.92 -1.26 -4.89 116.55 113.99 2crn n ASP 51 Ca 0.05 0.94 -0.13 0.00 -0.53 0.00 0.00 54.79 55.12 2crn n ASP 51 Cb 0.28 -0.93 -0.08 0.00 -0.64 0.00 0.00 41.12 39.75 2crn n ASP 51 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2crn h PRO 52 N 0.64 0.27 0.00 -0.24 0.13 -1.97 -2.96 132.00 127.87 2crn h PRO 52 Ca -0.34 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2crn h PRO 52 Cb 1.44 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2crn h PRO 52 CO 0.51 0.68 0.00 0.77 -0.23 0.00 0.00 178.00 179.73 2crn h SER 53 N -0.12 0.00 -0.90 1.44 0.02 -1.94 -1.80 113.55 110.24 2crn h SER 53 Ca 0.02 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.37 2crn h SER 53 Cb 0.63 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.79 2crn h SER 53 CO 0.03 0.00 -0.26 0.18 -1.14 0.00 0.00 176.83 175.64 2crn n LEU 54 N -2.31 5.82 -4.94 5.07 4.77 -1.12 -5.03 117.00 119.26 2crn n LEU 54 Ca -0.01 -4.64 -0.24 0.00 -0.03 0.00 0.00 56.01 51.09 2crn n LEU 54 Cb 0.07 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 2crn n LEU 54 CO 0.12 1.92 0.38 -1.81 -1.33 0.00 0.00 177.39 176.66 2crn s ASP 55 N -3.00 5.78 0.06 -1.43 1.01 -0.68 -4.60 116.67 113.80 2crn s ASP 55 Ca 0.55 0.47 0.05 0.00 0.71 0.00 0.00 52.55 54.32 2crn s ASP 55 Cb 0.44 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 2crn s ASP 55 CO 0.00 -0.81 -0.13 -1.81 0.21 0.00 0.00 175.17 172.63 2crn s ASP 56 N -4.24 1.55 0.00 0.27 1.01 -1.26 -5.02 116.67 108.98 2crn s ASP 56 Ca 0.50 -0.55 0.16 0.00 0.71 0.00 0.00 52.55 53.36 2crn s ASP 56 Cb -0.10 -0.06 0.91 0.00 1.01 0.00 0.00 42.92 44.68 2crn s ASP 56 CO 0.41 -0.06 1.35 -0.81 0.21 0.00 0.00 175.17 176.27 2crn n PRO 57 N 1.51 0.45 -1.58 8.23 -0.04 -1.26 -4.75 135.00 137.56 2crn n PRO 57 Ca -0.20 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 2crn n PRO 57 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2crn n PRO 57 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2crn n ILE 58 N -1.04 0.20 -1.92 0.52 5.41 -1.26 -4.93 119.36 116.34 2crn n ILE 58 Ca 0.11 -0.56 -0.35 0.00 1.00 0.00 0.00 62.75 62.95 2crn n ILE 58 Cb 0.06 -2.60 0.04 0.00 -0.71 0.00 0.00 39.64 36.43 2crn n ILE 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2crn s SER 59 N 9.55 5.10 0.00 4.38 0.15 -1.26 -4.85 113.70 126.77 2crn s SER 59 Ca 1.01 2.29 0.00 0.00 0.70 0.00 0.00 55.95 59.94 2crn s SER 59 Cb -0.31 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 2crn s SER 59 CO 0.33 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2crn n GLY 60 N 0.27 -0.30 3.72 9.45 0.00 -1.26 -4.96 105.19 112.11 2crn n GLY 60 Ca 0.13 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.56 4.34 -0.13 1.61 0.04 -1.26 -5.02 135.00 130.02 2crn s PRO 61 Ca 0.00 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2crn s PRO 61 Cb 0.00 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2crn s PRO 61 CO 0.00 -0.40 -0.01 0.45 0.04 0.00 0.00 177.00 177.08 2crn s SER 62 N 1.04 2.30 -0.28 6.66 0.15 -1.26 -5.11 113.70 117.20 2crn s SER 62 Ca 0.63 -0.45 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 2crn s SER 62 Cb -0.36 -0.62 0.16 0.00 -1.71 0.00 0.00 66.02 63.50 2crn s SER 62 CO 0.31 -0.22 1.27 -0.55 1.20 0.00 0.00 173.24 175.24 2crn s SER 63 N 1.85 -0.20 0.00 5.45 0.15 -1.26 -5.10 113.70 114.58 2crn s SER 63 Ca 0.02 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2crn s SER 63 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2crn s SER 63 CO -0.07 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.89