#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp s VAL 2 N 0.00 0.27 -0.31 0.00 0.11 -1.26 -4.97 120.40 114.24 2jsp s VAL 2 Ca 0.00 0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 2jsp s VAL 2 Cb 0.00 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2jsp s VAL 2 CO 0.00 0.24 0.28 0.59 -3.33 0.00 0.00 175.10 172.88 2jsp n ASN 3 N 5.11 -7.31 -0.34 3.54 3.02 -1.26 -4.89 115.26 113.13 2jsp n ASN 3 Ca -0.08 0.71 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 2jsp n ASN 3 Cb 0.50 -3.99 0.33 0.00 -0.61 0.00 0.00 39.78 36.01 2jsp n ASN 3 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jsp h VAL 4 N 2.71 0.74 -0.78 2.41 -1.51 -1.94 -3.27 116.25 114.61 2jsp h VAL 4 Ca -0.10 -0.26 -0.24 0.00 -1.23 0.00 0.00 66.70 64.88 2jsp h VAL 4 Cb 0.72 -0.09 -0.18 0.00 -2.13 0.00 0.00 31.29 29.60 2jsp h VAL 4 CO 0.13 0.14 -0.57 1.21 -1.23 0.00 0.00 177.57 177.25 2jsp n GLU 5 N -4.71 0.62 -3.23 5.19 2.13 -1.26 -5.02 120.64 114.36 2jsp n GLU 5 Ca 0.22 -2.08 -0.26 0.00 0.66 0.00 0.00 57.16 55.70 2jsp n GLU 5 Cb 0.55 -1.47 0.03 0.00 0.27 0.00 0.00 31.44 30.82 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2jsp n LYS 6 N 2.33 -2.13 -1.44 5.31 3.00 -1.23 -4.73 118.16 119.26 2jsp n LYS 6 Ca 0.16 1.73 0.19 0.00 -0.00 0.00 0.00 58.31 60.38 2jsp n LYS 6 Cb 0.58 -3.59 -0.06 0.00 0.00 0.00 0.00 35.03 31.96 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jsp n GLN 7 N -0.23 -3.05 -3.76 1.64 6.02 -1.26 -4.88 117.38 111.86 2jsp n GLN 7 Ca 0.00 2.21 -0.30 0.00 -0.01 0.00 0.00 57.00 58.90 2jsp n GLN 7 Cb 0.59 -3.67 -0.15 0.00 1.02 0.00 0.00 30.24 28.04 2jsp n GLN 7 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jsp s LYS 8 N -3.00 0.86 -0.65 -1.09 2.20 -0.36 -4.54 119.74 113.17 2jsp s LYS 8 Ca 0.00 -1.27 -0.26 0.00 -0.36 0.00 0.00 55.97 54.07 2jsp s LYS 8 Cb 0.00 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 2jsp s LYS 8 CO 0.00 -1.00 1.93 -1.25 -0.36 0.00 0.00 175.35 174.67 2jsp s PRO 9 N 1.39 2.55 -1.47 4.03 0.04 -1.26 -1.52 135.00 138.75 2jsp s PRO 9 Ca 0.11 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 2jsp s PRO 9 Cb -0.18 -4.51 -0.01 0.00 0.04 0.00 0.00 34.50 29.83 2jsp s PRO 9 CO -0.20 -2.91 2.46 0.00 0.04 0.00 0.00 177.00 176.39 2jsp n ALA 10 N 13.34 6.12 -0.37 8.56 0.00 -1.26 -4.94 120.51 141.96 2jsp n ALA 10 Ca 0.25 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2jsp n ALA 10 Cb 0.51 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.49 2jsp n ALA 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jsp n VAL 11 N 4.60 0.00 -4.02 0.00 0.24 -1.26 -4.77 118.33 113.12 2jsp n VAL 11 Ca 0.61 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.66 2jsp n VAL 11 Cb 0.33 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jsp s SER 12 N -4.00 5.92 0.47 -1.34 0.15 -1.26 -5.02 113.70 108.61 2jsp s SER 12 Ca 0.00 -0.01 0.40 0.00 0.70 0.00 0.00 55.95 57.04 2jsp s SER 12 Cb 0.00 -1.66 1.50 0.00 -1.71 0.00 0.00 66.02 64.15 2jsp s SER 12 CO 0.00 0.04 1.43 0.55 1.20 0.00 0.00 173.24 176.46 2jsp n VAL 13 N -0.63 -0.10 -0.45 4.45 3.14 -1.26 -1.53 118.33 121.96 2jsp n VAL 13 Ca -0.08 1.48 0.40 0.00 -2.96 0.00 0.00 64.34 63.19 2jsp n VAL 13 Cb 0.55 -2.45 0.76 0.00 -1.06 0.00 0.00 33.84 31.63 2jsp n VAL 13 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 2jsp h ARG 14 N 0.00 0.02 -0.08 1.45 -0.00 -1.97 -0.79 114.38 113.01 2jsp h ARG 14 Ca 0.84 -0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 60.69 2jsp h ARG 14 Cb 3.12 -0.01 -0.22 0.00 -0.00 0.00 0.00 29.97 32.87 2jsp h ARG 14 CO -0.18 0.02 -0.78 1.17 -0.00 0.00 0.00 179.97 180.19 2jsp n LYS 15 N -4.16 1.11 0.05 0.08 4.81 -0.58 -4.81 118.16 114.65 2jsp n LYS 15 Ca 0.32 -2.86 0.01 0.00 -0.87 0.00 0.00 58.31 54.91 2jsp n LYS 15 Cb 1.47 -1.01 0.33 0.00 0.02 0.00 0.00 35.03 35.84 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2jsp h SER 16 N 1.19 0.39 -3.09 3.14 0.02 -1.23 -3.40 113.55 110.57 2jsp h SER 16 Ca -0.07 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.23 2jsp h SER 16 Cb 1.42 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 2jsp h SER 16 CO 0.11 0.51 1.01 -0.69 -1.14 0.00 0.00 176.83 176.62 2jsp s VAL 17 N -4.85 4.04 0.08 2.27 1.01 -1.26 -2.86 120.40 118.83 2jsp s VAL 17 Ca -0.07 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2jsp s VAL 17 Cb 0.15 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 2jsp s VAL 17 CO 0.75 -0.47 0.01 0.00 0.00 0.00 0.00 175.10 175.40 2jsp n GLN 18 N 7.45 1.32 -2.04 2.72 6.02 -0.79 -5.04 117.38 127.01 2jsp n GLN 18 Ca 0.16 -0.66 -0.27 0.00 -0.01 0.00 0.00 57.00 56.22 2jsp n GLN 18 Cb 0.46 0.26 -0.06 0.00 1.02 0.00 0.00 30.24 31.92 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jsp s ASP 19 N -1.49 4.93 -1.46 1.08 1.11 -1.26 -3.65 116.67 115.93 2jsp s ASP 19 Ca 0.02 -1.60 -0.09 0.00 0.18 0.00 0.00 52.55 51.05 2jsp s ASP 19 Cb 0.00 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.44 2jsp s ASP 19 CO 0.01 -3.18 0.85 -0.67 1.18 0.00 0.00 175.17 173.36 2jsp n ASP 20 N 14.72 -5.43 -3.68 0.27 2.03 -1.26 -5.00 116.55 118.20 2jsp n ASP 20 Ca 0.44 -0.51 -0.09 0.00 0.52 0.00 0.00 54.79 55.15 2jsp n ASP 20 Cb 0.47 -4.35 -0.10 0.00 -0.72 0.00 0.00 41.12 36.42 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2jsp s HIS 21 N -3.21 -0.71 -0.23 -0.67 -3.43 -1.24 -4.12 115.29 101.68 2jsp s HIS 21 Ca 0.50 1.46 -0.08 0.00 -0.80 0.00 0.00 55.06 56.14 2jsp s HIS 21 Cb -0.24 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 2jsp s HIS 21 CO 0.62 -0.40 0.09 -1.50 -2.00 0.00 0.00 174.74 171.55 2jsp s ILE 22 N 1.66 4.68 -0.10 -5.38 2.07 0.13 -1.88 121.20 122.37 2jsp s ILE 22 Ca -0.08 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 58.80 2jsp s ILE 22 Cb -0.09 -3.16 -0.02 0.00 0.13 0.00 0.00 42.46 39.32 2jsp s ILE 22 CO -0.14 0.37 1.11 0.54 -1.91 0.00 0.00 174.94 174.91 2jsp s VAL 23 N 1.15 4.51 -0.54 4.00 0.11 -1.14 -2.57 120.40 125.93 2jsp s VAL 23 Ca 0.05 1.81 -0.28 0.00 -2.93 0.00 0.00 61.98 60.63 2jsp s VAL 23 Cb -0.14 -4.16 0.01 0.00 -1.53 0.00 0.00 36.38 30.56 2jsp s VAL 23 CO 0.04 -0.03 1.39 0.00 -3.33 0.00 0.00 175.10 173.17 2jsp s LEU 25 N 5.86 4.35 0.00 0.00 2.01 -1.26 -0.79 118.68 128.84 2jsp s LEU 25 Ca 0.53 2.95 0.00 0.00 0.01 0.00 0.00 54.13 57.63 2jsp s LEU 25 Cb -0.11 -3.66 0.00 0.00 0.01 0.00 0.00 46.19 42.43 2jsp s LEU 25 CO 0.26 -0.79 0.00 1.21 1.01 0.00 0.00 176.35 178.04 2jsp n GLU 26 N 0.65 -0.50 0.06 1.70 2.13 -0.57 -4.71 120.64 119.41 2jsp n GLU 26 Ca 0.01 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2jsp n GLU 26 Cb 0.40 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.42 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp n GLY 28 N 2.21 3.18 3.67 0.00 0.00 0.03 -4.54 105.19 109.75 2jsp n GLY 28 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2jsp n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsp n GLY 29 N 0.00 0.32 3.31 -0.02 0.00 -1.26 -4.27 105.19 103.27 2jsp n GLY 29 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 2jsp n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jsp s SER 30 N -0.46 2.83 0.16 1.61 0.15 -1.26 -1.58 113.70 115.14 2jsp s SER 30 Ca 0.58 -0.65 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 2jsp s SER 30 Cb -0.58 -0.20 0.06 0.00 -1.71 0.00 0.00 66.02 63.59 2jsp s SER 30 CO 0.60 0.15 0.84 0.72 1.20 0.00 0.00 173.24 176.75 2jsp s PHE 31 N -0.99 -0.24 0.37 3.44 -0.12 -1.06 -4.88 117.98 114.51 2jsp s PHE 31 Ca 0.09 -0.07 0.24 0.00 -0.05 0.00 0.00 56.93 57.14 2jsp s PHE 31 Cb -0.10 0.63 1.24 0.00 -0.63 0.00 0.00 43.02 44.16 2jsp s PHE 31 CO 0.04 -0.89 1.99 0.87 -0.05 0.00 0.00 175.22 177.18 2jsp h LYS 32 N 2.00 0.00 -2.69 1.99 6.56 -1.88 0.38 116.57 122.93 2jsp h LYS 32 Ca -0.24 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.79 2jsp h LYS 32 Cb 1.25 0.00 -0.39 0.00 -0.57 0.00 0.00 32.23 32.51 2jsp h LYS 32 CO 0.27 0.18 -0.82 -1.54 -2.06 0.00 0.00 179.45 175.48 2jsp s SER 33 N -6.32 3.23 0.21 0.86 1.04 -1.26 -0.57 113.70 110.89 2jsp s SER 33 Ca -0.02 -1.80 -0.05 0.00 0.48 0.00 0.00 55.95 54.55 2jsp s SER 33 Cb 0.13 -0.39 0.18 0.00 0.10 0.00 0.00 66.02 66.04 2jsp s SER 33 CO 0.62 -0.37 1.65 0.25 0.98 0.00 0.00 173.24 176.37 2jsp h LEU 34 N 7.62 0.85 -0.02 2.42 6.46 -1.67 -3.34 115.31 127.62 2jsp h LEU 34 Ca -0.05 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2jsp h LEU 34 Cb 0.99 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2jsp h LEU 34 CO 0.34 1.00 -0.02 0.50 -0.62 0.00 0.00 178.44 179.64 2jsp h LYS 35 N 0.76 -0.01 -0.71 1.25 3.11 -0.59 0.45 116.57 120.83 2jsp h LYS 35 Ca 0.12 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 58.06 2jsp h LYS 35 Cb 0.66 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.77 2jsp h LYS 35 CO 0.05 -0.01 -0.42 0.07 -2.81 0.00 0.00 179.45 176.33 2jsp h ARG 36 N -0.01 -0.14 -0.43 1.90 0.11 -1.87 -1.58 114.38 112.36 2jsp h ARG 36 Ca 0.00 0.01 0.09 0.00 0.10 0.00 0.00 59.98 60.18 2jsp h ARG 36 Cb 0.02 0.03 -0.09 0.00 1.11 0.00 0.00 29.97 31.04 2jsp h ARG 36 CO -0.03 -0.09 -0.22 1.25 0.10 0.00 0.00 179.97 180.98 2jsp h HIS 37 N -0.15 -0.57 0.01 4.08 2.76 -1.50 0.10 115.15 119.89 2jsp h HIS 37 Ca 0.22 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2jsp h HIS 37 Cb 0.55 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 2jsp h HIS 37 CO -0.77 -0.30 -0.25 1.25 -1.30 0.00 0.00 177.93 176.57 2jsp h LEU 38 N -0.14 -0.75 -1.68 0.26 7.12 0.84 0.21 115.31 121.18 2jsp h LEU 38 Ca 0.21 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.32 2jsp h LEU 38 Cb 0.46 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 2jsp h LEU 38 CO -0.52 -0.24 0.25 0.74 -0.13 0.00 0.00 178.44 178.54 2jsp h THR 39 N -0.32 1.05 0.15 1.05 2.02 -0.82 0.72 112.91 116.77 2jsp h THR 39 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2jsp h THR 39 Cb 0.33 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2jsp h THR 39 CO -0.16 0.08 -0.07 0.74 0.37 0.00 0.00 175.52 176.48 2jsp h THR 40 N 0.44 0.99 0.00 3.16 2.02 -0.50 -3.24 112.91 115.77 2jsp h THR 40 Ca 0.15 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2jsp h THR 40 Cb 0.05 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2jsp h THR 40 CO -0.03 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.43 2jsp n HIS 41 N -5.03 0.00 0.28 3.16 8.25 0.72 -4.53 115.22 118.07 2jsp n HIS 41 Ca -0.09 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.54 2jsp n HIS 41 Cb 0.22 -0.01 0.88 0.00 1.12 0.00 0.00 29.99 32.20 2jsp n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jsp h HIS 42 N 0.00 0.00 -1.74 4.41 -0.00 -1.56 -3.49 115.15 112.77 2jsp h HIS 42 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2jsp h HIS 42 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2jsp h HIS 42 CO 0.00 0.00 -0.06 0.43 -0.00 0.00 0.00 177.93 178.30 2jsp n SER 43 N -2.72 -5.09 -0.82 2.45 7.64 0.24 -4.91 113.62 110.41 2jsp n SER 43 Ca -0.02 0.18 0.10 0.00 1.01 0.00 0.00 58.87 60.14 2jsp n SER 43 Cb 0.17 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 2jsp n SER 43 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jsp n MET 44 N -1.89 -1.84 -2.53 1.43 2.81 -1.26 -3.66 117.12 110.18 2jsp n MET 44 Ca 0.00 1.45 -0.35 0.00 -1.81 0.00 0.00 57.70 56.98 2jsp n MET 44 Cb 0.08 -2.17 -0.04 0.00 -0.71 0.00 0.00 33.22 30.38 2jsp n MET 44 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jsp s THR 45 N -3.23 3.72 0.17 2.03 -4.23 -1.26 -3.71 115.64 109.13 2jsp s THR 45 Ca 0.00 1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 61.56 2jsp s THR 45 Cb 0.00 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.34 2jsp s THR 45 CO 0.00 -0.12 1.81 1.55 -0.54 0.00 0.00 174.62 177.32 2jsp h PRO 46 N 2.00 0.70 -0.59 3.99 0.13 -1.92 -1.23 132.00 135.08 2jsp h PRO 46 Ca -0.49 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 2jsp h PRO 46 Cb 1.22 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2jsp h PRO 46 CO 0.61 0.50 0.16 1.49 -0.23 0.00 0.00 178.00 180.53 2jsp h GLU 47 N 0.69 0.90 -0.61 0.86 4.81 -1.95 -0.62 114.58 118.67 2jsp h GLU 47 Ca 0.19 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2jsp h GLU 47 Cb -0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2jsp h GLU 47 CO -0.04 0.79 0.00 1.49 -0.73 0.00 0.00 179.01 180.52 2jsp h GLU 48 N 0.87 1.07 -0.94 1.92 4.81 -1.74 -2.36 114.58 118.20 2jsp h GLU 48 Ca 0.19 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2jsp h GLU 48 Cb 0.28 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2jsp h GLU 48 CO -0.00 1.04 0.61 -0.92 -0.73 0.00 0.00 179.01 179.01 2jsp h TYR 49 N 0.97 1.15 -0.84 0.92 3.20 -0.95 -2.27 116.97 119.16 2jsp h TYR 49 Ca 0.17 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.19 2jsp h TYR 49 Cb 0.56 -0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2jsp h TYR 49 CO 0.04 0.66 0.54 0.07 -1.64 0.00 0.00 178.16 177.83 2jsp h ARG 50 N 1.18 0.68 -0.51 1.82 -0.00 -0.58 -1.61 114.38 115.35 2jsp h ARG 50 Ca 0.38 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 60.27 2jsp h ARG 50 Cb 0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 29.81 2jsp h ARG 50 CO -0.12 0.45 0.14 1.49 -0.00 0.00 0.00 179.97 181.92 2jsp h GLU 51 N 0.70 0.77 0.10 0.08 4.81 -1.20 0.15 114.58 119.99 2jsp h GLU 51 Ca 0.40 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2jsp h GLU 51 Cb 0.59 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2jsp h GLU 51 CO -0.17 0.69 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.36 2jsp h LYS 52 N 0.75 -0.39 -0.05 1.92 1.63 -1.29 -1.54 116.57 117.61 2jsp h LYS 52 Ca 0.17 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2jsp h LYS 52 Cb 0.26 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2jsp h LYS 52 CO -0.00 -0.26 0.00 0.91 -3.45 0.00 0.00 179.45 176.64 2jsp n TRP 53 N -5.34 0.06 -2.62 1.91 7.02 -1.06 -4.89 117.44 112.53 2jsp n TRP 53 Ca -0.06 -0.03 -0.14 0.00 -1.02 0.00 0.00 57.50 56.25 2jsp n TRP 53 Cb 0.26 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.14 2jsp n TRP 53 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2jsp n ASP 54 N -0.42 -3.71 -4.55 -0.99 8.00 -0.48 -4.80 116.55 109.60 2jsp n ASP 54 Ca 0.06 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 2jsp n ASP 54 Cb 0.07 -3.14 -0.04 0.00 -0.02 0.00 0.00 41.12 37.98 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2jsp n LEU 55 N -2.97 2.69 -4.74 0.64 7.94 0.40 -4.93 117.00 116.03 2jsp n LEU 55 Ca -0.11 0.04 -0.38 0.00 -1.11 0.00 0.00 56.01 54.45 2jsp n LEU 55 Cb 0.59 -1.49 0.05 0.00 0.53 0.00 0.00 43.42 43.10 2jsp n LEU 55 CO 0.22 -0.94 0.96 -0.81 -1.11 0.00 0.00 177.39 175.71 2jsp n PRO 56 N 8.72 1.53 -1.02 1.96 -0.04 -1.26 -2.15 135.00 142.74 2jsp n PRO 56 Ca 0.35 0.57 -0.05 0.00 -0.04 0.00 0.00 63.50 64.34 2jsp n PRO 56 Cb 0.42 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 2jsp n PRO 56 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jsp n VAL 57 N -1.29 0.00 -4.01 0.52 3.14 -1.26 -3.31 118.33 112.11 2jsp n VAL 57 Ca 0.12 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.17 2jsp n VAL 57 Cb 0.46 -1.07 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 2jsp n VAL 57 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2jsp n ASP 58 N -0.57 -3.01 -4.17 6.55 5.75 -0.91 -4.81 116.55 115.38 2jsp n ASP 58 Ca -0.05 -0.84 -0.55 0.00 -0.01 0.00 0.00 54.79 53.34 2jsp n ASP 58 Cb 0.47 -2.50 -0.07 0.00 -1.03 0.00 0.00 41.12 37.98 2jsp n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jsp n TYR 59 N -4.12 0.65 -1.96 2.11 4.19 -1.21 -4.85 117.16 111.97 2jsp n TYR 59 Ca 0.07 0.98 -0.41 0.00 3.31 0.00 0.00 57.90 61.85 2jsp n TYR 59 Cb 0.49 -1.94 -0.01 0.00 0.49 0.00 0.00 39.34 38.37 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2jsp s PRO 60 N 0.16 4.23 -0.41 2.98 0.04 -1.26 -4.92 135.00 135.82 2jsp s PRO 60 Ca 0.85 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 64.27 2jsp s PRO 60 Cb -1.18 -3.02 0.27 0.00 0.04 0.00 0.00 34.50 30.60 2jsp s PRO 60 CO 0.54 -0.37 2.03 -1.33 0.04 0.00 0.00 177.00 177.91 2jsp n MET 61 N 0.77 2.03 -4.16 4.56 2.81 -1.26 -4.86 117.12 117.01 2jsp n MET 61 Ca 0.01 -2.00 -0.13 0.00 -1.81 0.00 0.00 57.70 53.76 2jsp n MET 61 Cb 0.40 -1.79 -0.11 0.00 -0.71 0.00 0.00 33.22 31.02 2jsp n MET 61 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jsp s VAL 62 N -2.93 0.84 0.00 2.03 1.01 -1.26 0.25 120.40 120.34 2jsp s VAL 62 Ca 0.40 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2jsp s VAL 62 Cb 0.31 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2jsp s VAL 62 CO -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 175.10 174.47 2jsp n ALA 63 N 0.50 -0.64 0.05 5.51 0.00 0.27 -4.78 120.51 121.43 2jsp n ALA 63 Ca -0.16 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.50 2jsp n ALA 63 Cb 0.58 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.76 2jsp n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jsp h PRO 64 N 0.00 0.00 -0.22 0.00 0.13 -1.85 0.58 132.00 130.64 2jsp h PRO 64 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2jsp h PRO 64 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2jsp h PRO 64 CO 0.00 0.00 -0.77 0.00 -0.23 0.00 0.00 178.00 177.00 2jsp n ALA 65 N -2.37 3.55 -0.27 -0.56 0.00 -1.26 -4.92 120.51 114.68 2jsp n ALA 65 Ca 0.09 -3.13 -0.00 0.00 0.00 0.00 0.00 53.44 50.39 2jsp n ALA 65 Cb 0.70 -0.50 0.12 0.00 0.00 0.00 0.00 19.45 19.78 2jsp n ALA 65 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2jsp h TYR 66 N 1.46 0.83 -1.72 0.00 3.20 -1.18 -3.45 116.97 116.11 2jsp h TYR 66 Ca 0.02 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.06 2jsp h TYR 66 Cb 1.36 -0.26 -0.20 0.00 1.54 0.00 0.00 36.73 39.17 2jsp h TYR 66 CO 0.62 0.41 0.63 0.00 -1.64 0.00 0.00 178.16 178.18 2jsp s ALA 67 N -6.08 -1.95 -1.53 1.82 0.00 -1.26 -5.04 121.76 107.72 2jsp s ALA 67 Ca -0.13 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.29 2jsp s ALA 67 Cb 0.17 -0.29 0.09 0.00 0.00 0.00 0.00 23.12 23.09 2jsp s ALA 67 CO 0.77 -0.49 0.81 -1.91 0.00 0.00 0.00 175.76 174.95 2jsp n GLU 68 N 0.21 0.03 -3.28 0.00 4.07 -1.26 -4.90 120.64 115.51 2jsp n GLU 68 Ca -0.06 0.22 -0.22 0.00 -0.06 0.00 0.00 57.16 57.04 2jsp n GLU 68 Cb 0.59 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.49 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n ALA 69 N -1.24 -2.63 -3.10 4.31 0.00 -1.26 -5.07 120.51 111.52 2jsp n ALA 69 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2jsp n ALA 69 Cb 0.01 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2jsp n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsp n ARG 70 N -0.75 2.35 -0.09 0.00 1.74 -1.26 -4.97 116.66 113.68 2jsp n ARG 70 Ca -0.04 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 2jsp n ARG 70 Cb 0.59 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.02 2jsp n ARG 70 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jsp h SER 71 N 0.00 -0.96 -0.73 0.55 0.87 -2.06 -1.51 113.55 109.71 2jsp h SER 71 Ca 0.00 0.17 -0.66 0.00 -1.23 0.00 0.00 61.79 60.07 2jsp h SER 71 Cb 0.00 0.45 -0.08 0.00 -0.44 0.00 0.00 62.40 62.33 2jsp h SER 71 CO 0.00 -0.31 2.44 0.54 -0.53 0.00 0.00 176.83 178.98 2jsp n ARG 72 N -5.41 3.94 0.00 2.24 5.12 -1.26 -4.70 116.66 116.59 2jsp n ARG 72 Ca 0.00 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.11 2jsp n ARG 72 Cb 0.32 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jsp n LEU 73 N 2.22 0.10 -2.66 0.55 7.94 -0.57 -4.92 117.00 119.66 2jsp n LEU 73 Ca 0.65 0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 55.51 2jsp n LEU 73 Cb 0.32 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.34 2jsp n LEU 73 CO 0.66 0.00 0.59 0.00 -1.11 0.00 0.00 177.39 177.53 2jsp n ALA 74 N -2.88 -3.71 -0.88 1.96 0.00 -1.26 -4.97 120.51 108.76 2jsp n ALA 74 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 2jsp n ALA 74 Cb 0.00 -3.33 0.22 0.00 0.00 0.00 0.00 19.45 16.33 2jsp n ALA 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jsp s LYS 75 N 0.26 -0.41 -0.27 0.00 -2.85 -1.26 -4.05 119.74 111.16 2jsp s LYS 75 Ca 0.25 0.58 -0.09 0.00 -1.00 0.00 0.00 55.97 55.71 2jsp s LYS 75 Cb 0.19 -1.63 0.01 0.00 -2.06 0.00 0.00 37.83 34.34 2jsp s LYS 75 CO -0.08 -3.31 0.35 -1.91 0.10 0.00 0.00 175.35 170.50 2jsp n GLU 76 N -4.59 -1.60 0.00 1.78 2.13 -1.26 -4.39 120.64 112.71 2jsp n GLU 76 Ca 0.04 1.59 0.00 0.00 0.66 0.00 0.00 57.16 59.45 2jsp n GLU 76 Cb 0.56 -4.16 0.00 0.00 0.27 0.00 0.00 31.44 28.11 2jsp n GLU 76 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2jsp n MET 77 N -0.30 0.00 0.00 5.31 2.81 -1.26 -3.80 117.12 119.88 2jsp n MET 77 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2jsp n MET 77 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 2jsp n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jsp n GLY 78 N 0.00 1.37 3.32 3.03 0.00 -1.26 -4.81 105.19 106.84 2jsp n GLY 78 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jsp n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsp s LEU 79 N 0.00 0.41 -1.00 0.99 1.43 -1.25 -4.93 118.68 114.33 2jsp s LEU 79 Ca 0.00 0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 53.57 2jsp s LEU 79 Cb 0.00 1.48 0.01 0.00 0.03 0.00 0.00 46.19 47.72 2jsp s LEU 79 CO 0.00 -0.23 1.64 -0.83 0.23 0.00 0.00 176.35 177.16 2jsp s GLY 80 N -0.14 0.88 -0.45 -3.19 0.00 -1.26 -4.95 107.32 98.21 2jsp s GLY 80 Ca -0.03 -2.03 -0.13 0.00 0.00 0.00 0.00 44.72 42.53 2jsp s GLY 80 CO 0.02 2.98 0.34 1.62 0.00 0.00 0.00 173.10 178.07 2jsp s GLN 81 N 5.67 2.83 -0.07 2.90 -0.44 -1.26 -5.03 119.66 124.26 2jsp s GLN 81 Ca 0.55 -1.41 -0.14 0.00 -2.50 0.00 0.00 55.36 51.87 2jsp s GLN 81 Cb -0.02 -4.00 0.03 0.00 -1.64 0.00 0.00 33.01 27.38 2jsp s GLN 81 CO -0.06 -1.01 0.33 0.50 0.50 0.00 0.00 175.29 175.55 2jsp s ARG 82 N 1.55 0.54 -0.10 1.67 6.06 -1.26 -5.17 118.95 122.25 2jsp s ARG 82 Ca 0.04 0.13 -0.00 0.00 -2.50 0.00 0.00 55.73 53.39 2jsp s ARG 82 Cb -0.24 0.25 0.02 0.00 0.06 0.00 0.00 34.95 35.04 2jsp s ARG 82 CO 0.05 -0.12 -0.07 0.50 -2.50 0.00 0.00 175.30 173.16 2jsp s ARG 83 N -0.61 1.38 -0.30 5.12 3.52 -1.26 -5.09 118.95 121.71 2jsp s ARG 83 Ca -0.07 -0.22 -0.05 0.00 -0.13 0.00 0.00 55.73 55.26 2jsp s ARG 83 Cb -0.04 -1.43 0.19 0.00 -1.56 0.00 0.00 34.95 32.11 2jsp s ARG 83 CO 0.02 -0.22 0.74 0.21 -0.81 0.00 0.00 175.30 175.25 2jsp s LYS 84 N 1.54 0.45 0.04 5.12 2.20 -1.26 -5.18 119.74 122.65 2jsp s LYS 84 Ca 0.01 0.79 0.06 0.00 -0.36 0.00 0.00 55.97 56.47 2jsp s LYS 84 Cb -0.13 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 2jsp s LYS 84 CO -0.06 -0.49 -0.18 0.00 -0.36 0.00 0.00 175.35 174.26 2jsp s ALA 85 N 2.89 1.53 0.08 3.13 0.00 -1.26 -5.16 121.76 122.97 2jsp s ALA 85 Ca 0.14 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2jsp s ALA 85 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2jsp s ALA 85 CO -0.18 0.33 -0.22 0.54 0.00 0.00 0.00 175.76 176.23 2jsp s ASN 86 N -1.19 2.69 0.00 0.00 4.22 -1.26 -5.38 114.94 114.02 2jsp s ASN 86 Ca 0.05 -0.64 0.06 0.00 -2.14 0.00 0.00 52.86 50.20 2jsp s ASN 86 Cb -0.08 -0.18 0.39 0.00 1.28 0.00 0.00 41.25 42.65 2jsp s ASN 86 CO 0.02 0.12 0.85 -1.14 -2.04 0.00 0.00 177.10 174.91