#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 2.45 -0.30 1.61 0.15 -1.26 -5.11 113.70 111.24 2crn s SER 2 Ca 0.00 -0.50 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 2crn s SER 2 Cb 0.00 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 2crn s SER 2 CO 0.00 -0.20 1.23 -0.44 1.20 0.00 0.00 173.24 175.03 2crn s SER 3 N 1.77 6.76 0.00 5.45 0.01 -1.26 -4.64 113.70 121.79 2crn s SER 3 Ca 0.02 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2crn s SER 3 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2crn s SER 3 CO -0.07 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2crn n GLY 4 N 4.17 0.00 3.69 3.44 0.00 -1.26 -5.13 105.19 110.10 2crn n GLY 4 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 6.46 -0.13 1.61 0.15 -1.26 -4.98 113.70 115.54 2crn s SER 5 Ca 0.00 2.70 -0.01 0.00 0.70 0.00 0.00 55.95 59.34 2crn s SER 5 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2crn s SER 5 CO 0.00 -0.98 -0.02 -0.94 1.20 0.00 0.00 173.24 172.50 2crn s SER 6 N 2.68 2.35 0.00 5.45 1.04 -1.26 -4.95 113.70 119.02 2crn s SER 6 Ca 0.80 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2crn s SER 6 Cb -0.45 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2crn s SER 6 CO 0.36 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2crn n GLY 7 N 5.00 -0.49 3.71 7.32 0.00 -1.26 -5.15 105.19 114.32 2crn n GLY 7 Ca -0.10 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.68 4.09 0.33 1.61 0.01 -1.26 -5.12 113.70 110.67 2crn s SER 8 Ca 0.00 -1.48 -0.27 0.00 1.31 0.00 0.00 55.95 55.51 2crn s SER 8 Cb 0.00 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.22 2crn s SER 8 CO 0.00 -0.69 1.07 -0.55 0.41 0.00 0.00 173.24 173.48 2crn s SER 9 N -3.84 7.09 0.00 2.44 0.15 -1.26 -4.91 113.70 113.37 2crn s SER 9 Ca 0.21 2.15 0.11 0.00 0.70 0.00 0.00 55.95 59.13 2crn s SER 9 Cb 0.05 -2.61 0.67 0.00 -1.71 0.00 0.00 66.02 62.42 2crn s SER 9 CO 0.11 -0.26 1.11 -0.81 1.20 0.00 0.00 173.24 174.59 2crn n PRO 10 N 0.70 0.49 0.16 5.44 -0.04 -1.26 -3.61 135.00 136.87 2crn n PRO 10 Ca 0.01 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 2crn n PRO 10 Cb 0.47 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2crn n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2crn h SER 11 N 0.00 -0.57 0.84 3.54 0.87 -2.01 0.23 113.55 116.45 2crn h SER 11 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2crn h SER 11 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2crn h SER 11 CO 0.00 -0.32 0.00 -0.07 -0.53 0.00 0.00 176.83 175.91 2crn h LEU 12 N -0.48 0.00 0.00 2.23 4.07 -1.99 -2.53 115.31 116.61 2crn h LEU 12 Ca -0.01 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.75 2crn h LEU 12 Cb 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 2crn h LEU 12 CO -0.04 0.00 -1.13 -0.07 -1.08 0.00 0.00 178.44 176.12 2crn h LEU 13 N 0.00 0.00 -0.78 1.67 -0.00 -1.49 -3.29 115.31 111.42 2crn h LEU 13 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 2crn h LEU 13 Cb 0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.97 2crn h LEU 13 CO 0.00 0.84 -0.54 -0.33 -0.00 0.00 0.00 178.44 178.42 2crn h GLU 14 N 0.00 -0.13 -0.36 1.13 4.39 -0.12 1.98 114.58 121.46 2crn h GLU 14 Ca -0.10 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 2crn h GLU 14 Cb 1.73 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.40 2crn h GLU 14 CO 0.09 -0.09 -0.40 -1.00 -1.16 0.00 0.00 179.01 176.46 2crn h PRO 15 N -0.14 0.89 0.00 2.33 0.13 -1.74 -0.17 132.00 133.30 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 0.50 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2crn h PRO 15 CO -0.82 1.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.35 2crn n LEU 16 N -4.05 0.53 -0.11 1.56 4.77 -0.43 -2.31 117.00 116.96 2crn n LEU 16 Ca -0.02 0.60 -0.25 0.00 -0.03 0.00 0.00 56.01 56.31 2crn n LEU 16 Cb 0.55 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 2crn n LEU 16 CO 0.48 -0.38 -1.16 0.18 -1.33 0.00 0.00 177.39 175.19 2crn n LEU 17 N -2.05 2.24 0.29 2.23 4.77 0.66 -3.10 117.00 122.04 2crn n LEU 17 Ca 0.03 0.24 0.15 0.00 -0.03 0.00 0.00 56.01 56.41 2crn n LEU 17 Cb 0.27 -0.91 0.86 0.00 -2.33 0.00 0.00 43.42 41.31 2crn n LEU 17 CO 0.22 0.63 1.05 0.00 -1.33 0.00 0.00 177.39 177.95 2crn h ALA 18 N -0.55 1.27 0.00 -1.18 0.00 -1.04 -1.39 119.26 116.36 2crn h ALA 18 Ca -0.57 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 2crn h ALA 18 Cb 1.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2crn h ALA 18 CO -0.25 0.07 -0.35 0.52 0.00 0.00 0.00 179.25 179.25 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.65 -3.47 114.93 112.67 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 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2crn h MET 19 CO 0.01 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.74 2crn n GLY 20 N 0.24 1.90 3.78 8.32 0.00 -0.52 -5.11 105.19 113.80 2crn n GLY 20 Ca -0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.32 2.63 0.00 1.61 0.08 -1.18 -4.98 117.98 115.82 2crn s PHE 21 Ca 0.00 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.25 2crn s PHE 21 Cb 0.00 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 2crn s PHE 21 CO 0.00 -2.88 0.00 -0.35 -0.10 0.00 0.00 175.22 171.89 2crn n PRO 22 N 0.46 0.24 -0.08 0.24 -0.04 -1.26 -4.02 135.00 130.54 2crn n PRO 22 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 2crn n PRO 22 Cb 0.40 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.41 -0.98 0.52 2.07 -1.95 -2.88 116.25 112.56 2crn h VAL 23 Ca 0.00 -1.44 0.21 0.00 0.82 0.00 0.00 66.70 66.29 2crn h VAL 23 Cb 0.00 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 2crn h VAL 23 CO 0.00 0.14 0.62 1.12 0.02 0.00 0.00 177.57 179.47 2crn h HIS 24 N -1.00 0.78 0.16 1.57 -0.00 -1.98 0.16 115.15 114.84 2crn h HIS 24 Ca -0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 2crn h HIS 24 Cb 0.68 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 2crn h HIS 24 CO -0.05 0.16 -0.08 1.15 -0.00 0.00 0.00 177.93 179.12 2crn h THR 25 N 0.55 0.65 -0.81 6.12 2.02 -1.95 -2.78 112.91 116.70 2crn h THR 25 Ca 0.54 -1.15 0.20 0.00 0.77 0.00 0.00 66.41 66.77 2crn h THR 25 Cb 1.14 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 2crn h THR 25 CO -0.29 0.18 0.55 0.00 0.37 0.00 0.00 175.52 176.34 2crn h ALA 26 N -0.54 2.37 -0.16 6.16 0.00 -1.19 -0.68 119.26 125.21 2crn h ALA 26 Ca -0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2crn h ALA 26 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2crn h ALA 26 CO 0.04 -0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 178.42 2crn h LEU 27 N 0.26 0.45 -0.20 0.00 3.38 -0.75 -2.51 115.31 115.93 2crn h LEU 27 Ca 0.40 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2crn h LEU 27 Cb 1.19 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2crn h LEU 27 CO -0.10 0.85 -0.08 0.11 0.09 0.00 0.00 178.44 179.31 2crn h LYS 28 N 0.06 -0.05 -0.71 1.13 1.57 -0.84 0.14 116.57 117.86 2crn h LYS 28 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2crn h LYS 28 Cb 0.73 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2crn h LYS 28 CO 0.05 -0.03 0.45 0.00 -0.57 0.00 0.00 179.45 179.34 2crn h ALA 29 N 1.13 0.92 0.33 3.86 0.00 -1.46 0.11 119.26 124.16 2crn h ALA 29 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2crn h ALA 29 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2crn h ALA 29 CO -0.23 0.24 -0.16 -0.07 0.00 0.00 0.00 179.25 179.03 2crn h LEU 30 N 0.88 -0.37 -1.67 0.00 3.38 -0.93 -0.83 115.31 115.77 2crn h LEU 30 Ca 0.28 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.22 2crn h LEU 30 Cb -0.00 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2crn h LEU 30 CO -0.10 -0.14 0.31 0.00 0.09 0.00 0.00 178.44 178.60 2crn h ALA 31 N 0.03 1.91 0.46 1.53 0.00 -0.58 0.23 119.26 122.84 2crn h ALA 31 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2crn h ALA 31 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2crn h ALA 31 CO 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.12 2crn h ALA 32 N 1.75 -0.62 0.02 0.00 0.00 -0.72 -3.32 119.26 116.36 2crn h ALA 32 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2crn h ALA 32 Cb 0.26 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2crn h ALA 32 CO -0.05 -0.63 -0.10 1.79 0.00 0.00 0.00 179.25 180.26 2crn h THR 33 N -1.06 0.74 0.00 0.00 1.35 -0.94 -3.46 112.91 109.53 2crn h THR 33 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2crn h THR 33 Cb 0.56 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2crn h THR 33 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2crn n GLY 34 N -1.23 0.22 4.29 5.82 0.00 0.07 -4.85 105.19 109.51 2crn n GLY 34 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 -0.04 1.61 1.74 0.59 -4.87 116.66 113.75 2crn n ARG 35 Ca 0.00 0.24 -0.02 0.00 -0.77 0.00 0.00 57.85 57.31 2crn n ARG 35 Cb 0.00 -4.51 -0.01 0.00 -1.02 0.00 0.00 32.46 26.92 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 -1.45 0.00 -2.56 5.56 1.79 -1.89 -3.50 116.57 114.51 2crn h LYS 36 Ca -0.62 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 57.93 2crn h LYS 36 Cb 1.39 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.91 2crn h LYS 36 CO 0.77 0.00 0.39 -0.08 -1.08 0.00 0.00 179.45 179.45 2crn s THR 37 N -1.65 0.00 0.10 -0.16 -1.32 -1.26 -5.06 115.64 106.30 2crn s THR 37 Ca -0.05 -0.18 -0.26 0.00 -1.21 0.00 0.00 61.69 59.99 2crn s THR 37 Cb 0.01 -1.23 -0.09 0.00 -1.51 0.00 0.00 72.50 69.68 2crn s THR 37 CO 0.07 0.00 1.43 0.00 -2.21 0.00 0.00 174.62 173.92 2crn h ALA 38 N 2.00 -0.68 -0.67 11.08 0.00 -1.96 -2.17 119.26 126.85 2crn h ALA 38 Ca -0.26 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.71 2crn h ALA 38 Cb 1.26 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 20.01 2crn h ALA 38 CO 0.32 -0.90 -0.40 0.39 0.00 0.00 0.00 179.25 178.66 2crn n GLU 39 N -4.81 -0.30 -0.30 0.00 1.02 -1.26 0.11 120.64 115.10 2crn n GLU 39 Ca -0.03 1.10 0.08 0.00 -0.02 0.00 0.00 57.16 58.29 2crn n GLU 39 Cb 0.27 -1.62 0.19 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.64 3.49 3.07 -1.81 0.43 114.58 119.16 2crn h GLU 40 Ca 0.11 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.04 2crn h GLU 40 Cb 0.28 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 2crn h GLU 40 CO -0.63 0.03 0.31 0.00 -1.40 0.00 0.00 179.01 177.32 2crn h ALA 41 N 1.85 0.86 -0.99 3.43 0.00 0.10 -1.43 119.26 123.08 2crn h ALA 41 Ca 0.48 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.50 2crn h ALA 41 Cb 0.88 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2crn h ALA 41 CO -0.82 -0.07 0.64 -0.07 0.00 0.00 0.00 179.25 178.93 2crn h LEU 42 N 0.55 1.03 -1.99 0.00 -0.00 0.45 0.74 115.31 116.08 2crn h LEU 42 Ca 0.31 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 2crn h LEU 42 Cb 0.30 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2crn h LEU 42 CO -0.24 0.66 -0.08 0.00 -0.00 0.00 0.00 178.44 178.77 2crn h ALA 43 N 1.45 1.63 0.00 1.53 0.00 -0.66 0.12 119.26 123.33 2crn h ALA 43 Ca 0.43 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 55.01 2crn h ALA 43 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2crn h ALA 43 CO -0.17 0.10 -1.51 2.35 0.00 0.00 0.00 179.25 180.02 2crn h TRP 44 N 0.00 0.00 -0.05 0.00 7.01 -0.77 -3.31 115.95 118.84 2crn h TRP 44 Ca -0.00 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 60.77 2crn h TRP 44 Cb 0.17 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2crn h TRP 44 CO 0.00 0.93 -0.90 -0.07 -2.79 0.00 0.00 178.44 175.61 2crn h LEU 45 N 0.00 0.71 -1.73 0.65 3.38 -0.26 0.18 115.31 118.25 2crn h LEU 45 Ca -0.21 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 2crn h LEU 45 Cb 1.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2crn h LEU 45 CO 0.08 1.32 -0.17 0.45 0.09 0.00 0.00 178.44 180.21 2crn h HIS 46 N 0.35 0.00 0.02 1.13 3.86 -1.14 -1.70 115.15 117.67 2crn h HIS 46 Ca -0.08 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.78 2crn h HIS 46 Cb 1.53 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.94 2crn h HIS 46 CO 0.07 0.17 -2.16 -3.47 0.86 0.00 0.00 177.93 173.41 2crn n ASP 47 N -3.86 0.92 -2.48 2.45 2.03 -1.18 -4.36 116.55 110.06 2crn n ASP 47 Ca -0.02 0.12 -0.35 0.00 0.52 0.00 0.00 54.79 55.06 2crn n ASP 47 Cb 0.27 0.17 0.06 0.00 -0.72 0.00 0.00 41.12 40.90 2crn n ASP 47 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2crn n HIS 48 N -3.03 3.12 -0.09 -0.67 8.25 0.64 -4.44 115.22 119.00 2crn n HIS 48 Ca -0.31 -2.74 -0.12 0.00 -0.26 0.00 0.00 57.72 54.29 2crn n HIS 48 Cb 1.08 -1.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 2crn n HIS 48 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2crn n ASN 50 N -2.98 5.25 -4.87 0.00 3.02 -1.26 -4.88 115.26 109.54 2crn n ASN 50 Ca -0.33 -2.61 -0.37 0.00 -0.03 0.00 0.00 54.58 51.25 2crn n ASN 50 Cb 0.89 -0.98 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 2crn n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2crn s ASP 51 N 1.08 6.52 0.06 6.41 2.15 -1.26 -5.02 116.67 126.61 2crn s ASP 51 Ca 0.13 0.61 -0.18 0.00 0.43 0.00 0.00 52.55 53.53 2crn s ASP 51 Cb 0.10 -2.12 -0.12 0.00 -0.30 0.00 0.00 42.92 40.48 2crn s ASP 51 CO 0.00 0.35 1.37 1.55 -0.17 0.00 0.00 175.17 178.28 2crn h PRO 52 N 4.66 0.48 0.00 4.34 0.13 -1.98 -2.97 132.00 136.67 2crn h PRO 52 Ca -0.53 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2crn h PRO 52 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2crn h PRO 52 CO 0.61 0.83 0.00 0.77 -0.23 0.00 0.00 178.00 179.98 2crn h SER 53 N 0.15 0.00 -1.31 1.44 0.02 -1.99 -2.97 113.55 108.90 2crn h SER 53 Ca 0.03 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 2crn h SER 53 Cb 0.74 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.03 2crn h SER 53 CO 0.05 0.00 0.85 0.18 -1.14 0.00 0.00 176.83 176.77 2crn n LEU 54 N -2.35 7.39 -4.67 5.07 4.77 -1.12 -4.99 117.00 121.10 2crn n LEU 54 Ca 0.01 -4.36 -0.42 0.00 -0.03 0.00 0.00 56.01 51.21 2crn n LEU 54 Cb 0.19 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 2crn n LEU 54 CO 0.18 1.58 1.47 -0.62 -1.33 0.00 0.00 177.39 178.67 2crn s ASP 55 N -1.11 6.54 0.00 -1.43 -1.08 -1.12 -4.83 116.67 113.64 2crn s ASP 55 Ca 0.56 2.52 -0.14 0.00 -0.52 0.00 0.00 52.55 54.96 2crn s ASP 55 Cb 0.44 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 39.38 2crn s ASP 55 CO -0.18 -0.98 0.30 -1.81 0.52 0.00 0.00 175.17 173.02 2crn s ASP 56 N 3.54 -0.17 0.00 -0.34 1.01 -1.26 -5.02 116.67 114.43 2crn s ASP 56 Ca 0.80 0.01 0.16 0.00 0.71 0.00 0.00 52.55 54.22 2crn s ASP 56 Cb -0.40 0.32 0.93 0.00 1.01 0.00 0.00 42.92 44.78 2crn s ASP 56 CO 0.36 -0.49 1.35 -0.81 0.21 0.00 0.00 175.17 175.79 2crn n PRO 57 N 1.11 0.48 -1.68 8.23 -0.04 -1.26 -4.83 135.00 137.01 2crn n PRO 57 Ca -0.21 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 2crn n PRO 57 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.01 1.10 -0.94 0.52 2.08 -1.26 -4.90 119.36 114.96 2crn n ILE 58 Ca 0.12 -0.28 -0.36 0.00 0.56 0.00 0.00 62.75 62.79 2crn n ILE 58 Cb 0.06 -1.50 0.06 0.00 -0.75 0.00 0.00 39.64 37.51 2crn n ILE 58 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2crn n SER 59 N 1.96 -4.58 -4.51 4.38 7.64 -1.26 -4.92 113.62 112.34 2crn n SER 59 Ca 0.11 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.86 2crn n SER 59 Cb 0.32 -0.82 0.20 0.00 -1.01 0.00 0.00 64.21 62.91 2crn n SER 59 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crn s GLY 60 N -1.25 1.56 0.00 0.23 0.00 -1.26 -4.88 107.32 101.72 2crn s GLY 60 Ca 0.44 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.81 2crn s GLY 60 CO 0.76 0.23 1.11 -1.55 0.00 0.00 0.00 173.10 173.64 2crn n PRO 61 N -4.41 0.49 -3.69 2.90 -0.04 -1.26 -4.67 135.00 124.32 2crn n PRO 61 Ca 0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 2crn n PRO 61 Cb 0.57 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2crn n PRO 61 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2crn s SER 62 N -1.86 -0.45 0.16 3.54 0.01 -1.26 -5.05 113.70 108.78 2crn s SER 62 Ca 0.17 0.71 -0.16 0.00 1.31 0.00 0.00 55.95 57.98 2crn s SER 62 Cb 0.08 0.75 0.06 0.00 0.21 0.00 0.00 66.02 67.12 2crn s SER 62 CO 0.13 -0.30 1.76 0.77 0.41 0.00 0.00 173.24 176.00 2crn h SER 63 N 4.64 0.16 0.00 2.44 4.64 -2.01 -3.52 113.55 119.91 2crn h SER 63 Ca -0.28 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2crn h SER 63 Cb 1.17 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2crn h SER 63 CO 0.28 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.98