#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 6.67 -0.17 1.61 0.15 -1.26 -4.99 113.70 115.70 2crn s SER 2 Ca 0.00 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2crn s SER 2 Cb 0.00 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2crn s SER 2 CO 0.00 -0.86 -0.11 -0.55 1.20 0.00 0.00 173.24 172.93 2crn s SER 3 N 2.47 2.97 0.00 5.45 0.15 -1.26 -5.04 113.70 118.45 2crn s SER 3 Ca 0.72 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2crn s SER 3 Cb -0.37 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2crn s SER 3 CO 0.31 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2crn n GLY 4 N 4.76 -0.53 1.89 9.45 0.00 -1.26 -4.98 105.19 114.53 2crn n GLY 4 Ca -0.15 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2crn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crn n SER 5 N 0.00 5.97 -4.72 1.61 7.64 -1.26 -4.91 113.62 117.95 2crn n SER 5 Ca 0.00 -2.81 -0.40 0.00 1.01 0.00 0.00 58.87 56.67 2crn n SER 5 Cb 0.00 -1.16 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 2crn n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crn s SER 6 N 0.99 7.08 0.41 6.43 1.04 -1.26 -4.92 113.70 123.47 2crn s SER 6 Ca 0.31 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2crn s SER 6 Cb 0.20 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2crn s SER 6 CO -0.04 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2crn n GLY 7 N 2.97 1.99 3.11 7.32 0.00 -1.26 -4.73 105.19 114.59 2crn n GLY 7 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.18 0.17 1.61 1.04 -1.26 -5.16 113.70 105.92 2crn s SER 8 Ca 0.00 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 2crn s SER 8 Cb 0.00 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 2crn s SER 8 CO 0.00 -0.15 0.54 -0.44 0.98 0.00 0.00 173.24 174.17 2crn s SER 9 N -0.25 6.75 0.00 7.02 0.01 -1.26 -4.96 113.70 121.02 2crn s SER 9 Ca -0.04 1.02 0.15 0.00 1.31 0.00 0.00 55.95 58.39 2crn s SER 9 Cb -0.03 -2.26 0.89 0.00 0.21 0.00 0.00 66.02 64.83 2crn s SER 9 CO 0.01 0.05 1.31 -0.81 0.41 0.00 0.00 173.24 174.21 2crn n PRO 10 N 0.53 0.49 -0.37 12.44 -0.04 -1.26 -3.94 135.00 142.84 2crn n PRO 10 Ca -0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 2crn n PRO 10 Cb 0.52 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.45 1.04 3.54 0.02 -2.01 1.36 113.55 116.06 2crn h SER 11 Ca 0.00 0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2crn h SER 11 Cb 0.00 0.75 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2crn h SER 11 CO 0.00 -0.29 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.08 2crn h LEU 12 N -0.02 0.00 -0.59 5.07 3.38 -2.02 -2.93 115.31 118.21 2crn h LEU 12 Ca 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 2crn h LEU 12 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2crn h LEU 12 CO -0.96 0.25 -0.59 -0.07 0.09 0.00 0.00 178.44 177.16 2crn h LEU 13 N 0.00 0.00 -0.82 1.67 -0.00 0.12 -3.24 115.31 113.03 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 0.84 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.38 2crn h LEU 13 CO 0.03 0.59 -0.53 -0.33 -0.00 0.00 0.00 178.44 178.20 2crn h GLU 14 N 0.00 -0.11 -0.38 1.13 5.08 0.44 1.96 114.58 122.70 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 1.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2crn h GLU 14 CO 0.08 -0.07 -0.39 -1.00 -1.00 0.00 0.00 179.01 176.63 2crn h PRO 15 N -0.11 0.94 0.00 2.33 0.13 -1.76 -0.42 132.00 133.10 2crn h PRO 15 Ca 0.18 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2crn h PRO 15 Cb 0.50 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2crn h PRO 15 CO -0.85 1.15 0.00 1.28 -0.23 0.00 0.00 178.00 179.35 2crn n LEU 16 N -4.06 0.51 -0.11 1.56 4.77 -0.38 -2.29 117.00 117.01 2crn n LEU 16 Ca -0.02 0.60 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 2crn n LEU 16 Cb 0.55 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2crn n LEU 16 CO 0.49 -0.39 -1.13 0.18 -1.33 0.00 0.00 177.39 175.21 2crn n LEU 17 N -2.04 2.31 0.28 2.23 4.77 0.65 -2.91 117.00 122.29 2crn n LEU 17 Ca 0.03 0.21 0.15 0.00 -0.03 0.00 0.00 56.01 56.38 2crn n LEU 17 Cb 0.26 -0.92 0.82 0.00 -2.33 0.00 0.00 43.42 41.25 2crn n LEU 17 CO 0.21 0.65 1.03 0.00 -1.33 0.00 0.00 177.39 177.95 2crn h ALA 18 N -0.46 1.25 0.00 -1.18 0.00 -1.08 -1.56 119.26 116.23 2crn h ALA 18 Ca -0.55 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2crn h ALA 18 Cb 1.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2crn h ALA 18 CO -0.21 0.09 -0.34 0.52 0.00 0.00 0.00 179.25 179.31 2crn h MET 19 N 0.00 0.00 0.00 0.00 2.86 -1.64 -3.47 114.93 112.68 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 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2crn h MET 19 CO 0.01 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2crn n GLY 20 N 0.28 1.22 3.76 8.32 0.00 -0.59 -5.11 105.19 113.07 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 -0.90 3.18 0.00 1.61 0.08 -1.15 -4.84 117.98 115.96 2crn s PHE 21 Ca 0.00 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.46 2crn s PHE 21 Cb 0.00 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2crn s PHE 21 CO 0.00 -1.67 0.00 -0.35 -0.10 0.00 0.00 175.22 173.10 2crn n PRO 22 N 1.27 0.23 -0.06 0.24 -0.04 -1.26 -3.92 135.00 131.46 2crn n PRO 22 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 2crn n PRO 22 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.01 -1.28 0.52 2.07 -1.96 -2.95 116.25 111.78 2crn h VAL 23 Ca 0.00 -1.01 0.38 0.00 0.82 0.00 0.00 66.70 66.89 2crn h VAL 23 Cb 0.00 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 29.70 2crn h VAL 23 CO 0.00 0.00 0.86 1.12 0.02 0.00 0.00 177.57 179.58 2crn h HIS 24 N -1.00 0.40 0.12 1.57 -0.00 -1.99 0.90 115.15 115.15 2crn h HIS 24 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2crn h HIS 24 Cb 0.35 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2crn h HIS 24 CO -0.14 -0.07 -0.06 1.15 -0.00 0.00 0.00 177.93 178.82 2crn h THR 25 N 0.15 0.00 -1.19 6.12 2.02 -1.93 -3.05 112.91 115.02 2crn h THR 25 Ca 0.72 -0.79 0.34 0.00 0.77 0.00 0.00 66.41 67.45 2crn h THR 25 Cb 2.34 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.67 2crn h THR 25 CO -0.26 0.00 0.82 0.00 0.37 0.00 0.00 175.52 176.45 2crn h ALA 26 N -1.14 2.78 -0.33 6.16 0.00 -1.11 0.39 119.26 126.01 2crn h ALA 26 Ca -0.02 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2crn h ALA 26 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2crn h ALA 26 CO 0.03 -1.20 -0.24 -0.07 0.00 0.00 0.00 179.25 177.77 2crn h LEU 27 N 0.16 0.78 -0.07 0.00 3.38 -0.95 -1.51 115.31 117.09 2crn h LEU 27 Ca 0.63 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2crn h LEU 27 Cb 2.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2crn h LEU 27 CO -0.17 1.05 -0.02 0.11 0.09 0.00 0.00 178.44 179.51 2crn h LYS 28 N 0.51 0.00 -0.69 1.13 1.57 -0.13 0.70 116.57 119.67 2crn h LYS 28 Ca 0.06 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2crn h LYS 28 Cb 0.80 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2crn h LYS 28 CO 0.06 0.00 0.18 0.00 -0.57 0.00 0.00 179.45 179.12 2crn h ALA 29 N 1.07 1.01 0.36 3.86 0.00 -1.44 -0.49 119.26 123.63 2crn h ALA 29 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2crn h ALA 29 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2crn h ALA 29 CO -0.08 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.58 2crn h LEU 30 N 1.04 -0.41 -1.39 0.00 3.38 -0.89 0.63 115.31 117.66 2crn h LEU 30 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2crn h LEU 30 Cb 0.35 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2crn h LEU 30 CO -0.00 -0.18 0.17 0.00 0.09 0.00 0.00 178.44 178.51 2crn h ALA 31 N -0.02 1.53 0.11 1.53 0.00 -0.82 0.20 119.26 121.79 2crn h ALA 31 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2crn h ALA 31 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2crn h ALA 31 CO 0.08 0.37 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 2crn h ALA 32 N 1.61 -0.15 -0.10 0.00 0.00 -0.89 -3.30 119.26 116.44 2crn h ALA 32 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2crn h ALA 32 Cb 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2crn h ALA 32 CO -0.02 -0.39 0.02 1.79 0.00 0.00 0.00 179.25 180.66 2crn h THR 33 N -0.54 1.21 0.00 0.00 1.35 -0.70 -3.48 112.91 110.75 2crn h THR 33 Ca -0.02 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2crn h THR 33 Cb 0.44 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2crn h THR 33 CO 0.03 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2crn n GLY 34 N -0.43 0.76 3.95 5.82 0.00 0.46 -4.77 105.19 110.97 2crn n GLY 34 Ca -0.06 0.00 -0.32 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 -0.81 -0.04 1.61 1.74 0.17 -4.81 116.66 114.52 2crn n ARG 35 Ca 0.00 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 2crn n ARG 35 Cb 0.00 -3.58 -0.00 0.00 -1.02 0.00 0.00 32.46 27.85 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 -0.81 0.00 -3.43 5.56 1.79 -1.86 -3.49 116.57 114.33 2crn h LYS 36 Ca -0.49 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.86 2crn h LYS 36 Cb 1.11 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.57 2crn h LYS 36 CO 0.69 0.00 -0.40 -0.08 -1.08 0.00 0.00 179.45 178.58 2crn s THR 37 N -1.59 0.09 0.30 -0.16 -1.32 -1.26 -5.04 115.64 106.65 2crn s THR 37 Ca -0.04 -0.73 0.04 0.00 -1.21 0.00 0.00 61.69 59.74 2crn s THR 37 Cb 0.01 -0.68 0.30 0.00 -1.51 0.00 0.00 72.50 70.61 2crn s THR 37 CO 0.07 -0.40 1.83 0.00 -2.21 0.00 0.00 174.62 173.90 2crn h ALA 38 N 3.82 1.61 0.01 11.08 0.00 -1.95 -1.97 119.26 131.87 2crn h ALA 38 Ca -0.31 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2crn h ALA 38 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2crn h ALA 38 CO 0.44 0.11 -0.09 1.49 0.00 0.00 0.00 179.25 181.20 2crn h GLU 39 N 0.89 -0.16 -0.97 0.00 4.81 -1.96 -2.59 114.58 114.59 2crn h GLU 39 Ca 0.50 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 60.00 2crn h GLU 39 Cb 0.62 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 29.85 2crn h GLU 39 CO -0.28 -0.11 -0.01 0.39 -0.73 0.00 0.00 179.01 178.27 2crn n GLU 40 N -5.22 -0.08 -0.25 1.92 -0.58 -0.74 0.13 120.64 115.82 2crn n GLU 40 Ca -0.06 1.46 0.02 0.00 -0.42 0.00 0.00 57.16 58.16 2crn n GLU 40 Cb 0.14 -2.31 0.14 0.00 -0.57 0.00 0.00 31.44 28.84 2crn n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crn h ALA 41 N 1.95 0.99 -0.98 0.62 0.00 -1.49 -1.01 119.26 119.32 2crn h ALA 41 Ca 0.58 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.56 2crn h ALA 41 Cb 1.15 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2crn h ALA 41 CO -0.93 -0.05 0.65 -0.07 0.00 0.00 0.00 179.25 178.85 2crn h LEU 42 N 0.60 1.11 -1.44 0.00 -0.00 0.99 0.29 115.31 116.86 2crn h LEU 42 Ca 0.35 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.16 2crn h LEU 42 Cb 0.38 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2crn h LEU 42 CO -0.27 0.79 -0.26 0.00 -0.00 0.00 0.00 178.44 178.69 2crn h ALA 43 N 1.40 1.26 0.00 1.53 0.00 -0.71 -0.69 119.26 122.05 2crn h ALA 43 Ca 0.37 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2crn h ALA 43 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2crn h ALA 43 CO -0.09 0.33 -1.35 2.35 0.00 0.00 0.00 179.25 180.48 2crn h TRP 44 N 0.00 0.00 0.09 0.00 7.01 -0.40 -3.31 115.95 119.34 2crn h TRP 44 Ca -0.00 0.00 -0.25 0.00 2.11 0.00 0.00 58.89 60.74 2crn h TRP 44 Cb 0.58 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2crn h TRP 44 CO 0.00 0.69 -1.15 -0.07 -2.79 0.00 0.00 178.44 175.12 2crn h LEU 45 N 0.00 0.35 -1.61 0.65 3.38 -0.18 -1.37 115.31 116.54 2crn h LEU 45 Ca -0.16 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2crn h LEU 45 Cb 1.67 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2crn h LEU 45 CO 0.06 1.26 -0.05 0.45 0.09 0.00 0.00 178.44 180.26 2crn h HIS 46 N 0.08 0.00 0.01 1.13 3.86 -1.27 0.68 115.15 119.64 2crn h HIS 46 Ca -0.10 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.74 2crn h HIS 46 Cb 1.87 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.28 2crn h HIS 46 CO 0.05 0.05 -2.29 -3.47 0.86 0.00 0.00 177.93 173.13 2crn n ASP 47 N -3.19 0.65 -0.09 2.45 2.03 -1.21 -4.51 116.55 112.68 2crn n ASP 47 Ca -0.00 0.04 -0.18 0.00 0.52 0.00 0.00 54.79 55.17 2crn n ASP 47 Cb 0.30 0.46 -0.12 0.00 -0.72 0.00 0.00 41.12 41.03 2crn n ASP 47 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2crn h HIS 48 N 0.00 0.00 -0.83 -0.67 3.86 -1.11 -3.35 115.15 113.06 2crn h HIS 48 Ca -0.51 0.00 0.32 0.00 -1.16 0.00 0.00 60.37 59.02 2crn h HIS 48 Cb 2.13 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 30.48 2crn h HIS 48 CO 0.01 1.26 0.48 0.00 0.86 0.00 0.00 177.93 180.54 2crn n ASN 50 N -4.44 4.14 -3.84 0.00 2.85 -1.26 -4.87 115.26 107.83 2crn n ASN 50 Ca 0.28 -2.88 -0.11 0.00 -0.11 0.00 0.00 54.58 51.76 2crn n ASN 50 Cb 1.01 -1.64 -0.08 0.00 1.24 0.00 0.00 39.78 40.30 2crn n ASN 50 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2crn s ASP 51 N 2.97 0.02 0.33 1.20 1.01 -0.85 -5.05 116.67 116.29 2crn s ASP 51 Ca 0.47 -0.33 0.12 0.00 0.71 0.00 0.00 52.55 53.51 2crn s ASP 51 Cb 0.12 0.29 0.55 0.00 1.01 0.00 0.00 42.92 44.89 2crn s ASP 51 CO -0.06 -0.54 1.73 1.55 0.21 0.00 0.00 175.17 178.05 2crn h PRO 52 N 3.52 0.00 -3.03 8.23 0.13 -1.90 -3.34 132.00 135.61 2crn h PRO 52 Ca -0.32 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.10 2crn h PRO 52 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2crn h PRO 52 CO 0.47 0.49 0.00 0.43 -0.23 0.00 0.00 178.00 179.16 2crn n SER 53 N -3.96 4.60 -3.17 1.44 7.64 -1.26 -4.95 113.62 113.97 2crn n SER 53 Ca -0.02 -3.25 0.03 0.00 1.01 0.00 0.00 58.87 56.65 2crn n SER 53 Cb 0.50 -1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 62.66 2crn n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2crn s LEU 54 N -1.87 -1.41 -0.28 -3.43 1.43 -1.26 -5.12 118.68 106.74 2crn s LEU 54 Ca 0.31 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.76 2crn s LEU 54 Cb -0.01 2.02 -0.02 0.00 0.03 0.00 0.00 46.19 48.22 2crn s LEU 54 CO -0.06 -0.28 0.55 1.51 0.23 0.00 0.00 176.35 178.31 2crn s ASP 55 N 2.82 6.45 0.03 2.29 -4.77 -1.26 -4.97 116.67 117.26 2crn s ASP 55 Ca 0.16 0.45 -0.15 0.00 -3.30 0.00 0.00 52.55 49.71 2crn s ASP 55 Cb -0.13 -2.30 0.02 0.00 -1.09 0.00 0.00 42.92 39.43 2crn s ASP 55 CO -0.23 -0.37 0.33 1.51 0.70 0.00 0.00 175.17 177.11 2crn s ASP 56 N 1.59 -0.17 0.06 2.11 1.47 -1.26 -4.95 116.67 115.53 2crn s ASP 56 Ca 0.22 -0.10 0.17 0.00 1.18 0.00 0.00 52.55 54.01 2crn s ASP 56 Cb -0.15 0.36 0.70 0.00 -0.34 0.00 0.00 42.92 43.49 2crn s ASP 56 CO 0.10 -0.60 1.52 -0.81 0.68 0.00 0.00 175.17 176.06 2crn n PRO 57 N 0.68 0.05 -1.53 2.11 -0.04 -1.26 -4.74 135.00 130.28 2crn n PRO 57 Ca -0.19 0.30 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 2crn n PRO 57 Cb 0.59 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.69 -0.04 -3.70 0.52 2.08 -1.26 -4.87 119.36 110.41 2crn n ILE 58 Ca 0.03 -0.44 -0.21 0.00 0.56 0.00 0.00 62.75 62.68 2crn n ILE 58 Cb 0.18 -1.57 -0.18 0.00 -0.75 0.00 0.00 39.64 37.32 2crn n ILE 58 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2crn s SER 59 N 9.60 1.35 -0.33 4.38 0.01 -1.26 -4.97 113.70 122.48 2crn s SER 59 Ca 1.15 -0.01 -0.09 0.00 1.31 0.00 0.00 55.95 58.31 2crn s SER 59 Cb -0.64 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.36 2crn s SER 59 CO 0.36 -0.24 0.33 0.61 0.41 0.00 0.00 173.24 174.71 2crn n GLY 60 N 5.25 -2.21 2.20 3.44 0.00 -1.26 -5.03 105.19 107.58 2crn n GLY 60 Ca -0.04 0.82 -0.19 0.00 0.00 0.00 0.00 46.02 46.61 2crn n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crn n PRO 61 N -0.01 -2.37 -3.13 1.61 -0.04 -1.26 -4.98 135.00 124.82 2crn n PRO 61 Ca 0.07 -1.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.00 2crn n PRO 61 Cb 0.26 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 2crn n PRO 61 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2crn s SER 62 N -3.35 6.26 -0.24 3.54 1.04 -1.26 -5.01 113.70 114.67 2crn s SER 62 Ca 0.45 -0.71 -0.21 0.00 0.48 0.00 0.00 55.95 55.96 2crn s SER 62 Cb -0.04 -2.31 0.06 0.00 0.10 0.00 0.00 66.02 63.84 2crn s SER 62 CO 0.34 -0.87 0.64 -0.94 0.98 0.00 0.00 173.24 173.39 2crn s SER 63 N 2.47 -0.70 0.00 7.02 1.04 -1.26 -5.32 113.70 116.95 2crn s SER 63 Ca 0.18 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2crn s SER 63 Cb -0.17 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2crn s SER 63 CO 0.14 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.75