#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp n VAL 2 N 0.00 0.00 -1.54 0.00 0.24 -1.26 -5.01 118.33 110.76 2jsp n VAL 2 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 2jsp n VAL 2 Cb 0.00 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 2jsp n VAL 2 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jsp n ASN 3 N -1.83 1.78 0.00 -1.34 5.15 -1.26 -4.69 115.26 113.07 2jsp n ASN 3 Ca 0.00 -0.69 -0.02 0.00 -0.60 0.00 0.00 54.58 53.27 2jsp n ASN 3 Cb 0.04 -1.48 -0.01 0.00 -0.53 0.00 0.00 39.78 37.80 2jsp n ASN 3 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jsp n VAL 4 N 8.03 0.83 -3.42 3.44 0.24 -1.26 -4.98 118.33 121.20 2jsp n VAL 4 Ca 0.44 0.26 -0.26 0.00 -2.04 0.00 0.00 64.34 62.74 2jsp n VAL 4 Cb 0.44 -1.58 -0.09 0.00 -1.47 0.00 0.00 33.84 31.13 2jsp n VAL 4 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2jsp n GLU 5 N -3.32 0.71 -3.11 7.34 2.13 -1.26 -4.98 120.64 118.15 2jsp n GLU 5 Ca -0.03 -3.48 -0.07 0.00 0.66 0.00 0.00 57.16 54.24 2jsp n GLU 5 Cb 0.10 -1.70 0.01 0.00 0.27 0.00 0.00 31.44 30.12 2jsp n GLU 5 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jsp n LYS 6 N 2.24 -1.44 0.00 5.31 5.02 -1.26 -4.78 118.16 123.25 2jsp n LYS 6 Ca 0.26 1.45 0.00 0.00 -2.02 0.00 0.00 58.31 58.00 2jsp n LYS 6 Cb 0.47 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2jsp n GLN 7 N 0.81 0.00 -3.55 1.97 3.00 -1.26 -5.01 117.38 113.34 2jsp n GLN 7 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 2jsp n GLN 7 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.59 2jsp n GLN 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2jsp s LYS 8 N 0.00 0.84 -0.26 -1.09 -2.85 -1.05 -4.40 119.74 110.94 2jsp s LYS 8 Ca 0.00 0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.89 2jsp s LYS 8 Cb 0.00 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 2jsp s LYS 8 CO 0.00 -0.26 1.58 -1.25 0.10 0.00 0.00 175.35 175.52 2jsp s PRO 9 N -1.14 3.74 -1.54 1.78 0.04 -1.26 -3.15 135.00 133.47 2jsp s PRO 9 Ca -0.07 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2jsp s PRO 9 Cb -0.00 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 2jsp s PRO 9 CO 0.06 -1.36 2.60 0.00 0.04 0.00 0.00 177.00 178.35 2jsp n ALA 10 N 8.58 6.63 -0.25 8.56 0.00 -1.26 -4.93 120.51 137.84 2jsp n ALA 10 Ca 0.19 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.91 2jsp n ALA 10 Cb 0.46 -3.42 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 4.18 0.00 -1.98 0.00 0.24 -1.26 -4.76 118.33 114.74 2jsp n VAL 11 Ca 0.66 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.66 2jsp n VAL 11 Cb 0.30 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 32.86 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 3.15 0.00 -1.34 0.15 -1.26 -5.08 113.70 105.32 2jsp s SER 12 Ca 0.00 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2jsp s SER 12 Cb 0.00 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2jsp s SER 12 CO 0.00 -2.71 0.00 0.55 1.20 0.00 0.00 173.24 172.28 2jsp n VAL 13 N -3.72 0.00 0.00 4.45 3.14 -1.26 -4.51 118.33 116.43 2jsp n VAL 13 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2jsp n VAL 13 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 2jsp n VAL 13 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jsp n ARG 14 N 0.00 0.00 -0.52 1.45 0.63 -1.26 -4.13 116.66 112.84 2jsp n ARG 14 Ca 0.00 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 2jsp n ARG 14 Cb 0.00 -0.05 0.20 0.00 0.45 0.00 0.00 32.46 33.06 2jsp n ARG 14 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2jsp n LYS 15 N 0.00 1.60 0.15 -0.14 -0.00 -1.26 -4.65 118.16 113.86 2jsp n LYS 15 Ca 0.00 -3.14 0.13 0.00 -0.00 0.00 0.00 58.31 55.30 2jsp n LYS 15 Cb 0.00 -1.63 0.65 0.00 -0.00 0.00 0.00 35.03 34.06 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2jsp h SER 16 N 0.83 0.01 -3.36 -5.58 0.02 -1.79 -3.40 113.55 100.28 2jsp h SER 16 Ca 0.03 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.38 2jsp h SER 16 Cb 1.10 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 2jsp h SER 16 CO 0.06 0.01 0.33 -0.69 -1.14 0.00 0.00 176.83 175.39 2jsp s VAL 17 N -5.06 4.91 0.00 2.27 1.01 -1.26 -2.11 120.40 120.16 2jsp s VAL 17 Ca -0.05 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2jsp s VAL 17 Cb 0.18 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2jsp s VAL 17 CO 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.79 2jsp n GLN 18 N 5.69 2.87 -1.70 2.72 6.02 -0.18 -5.03 117.38 127.76 2jsp n GLN 18 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.77 2jsp n GLN 18 Cb 0.48 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.66 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jsp n ASP 19 N -0.52 2.22 -3.46 1.08 9.92 -1.26 -3.52 116.55 121.01 2jsp n ASP 19 Ca 0.00 -2.60 -0.25 0.00 -0.53 0.00 0.00 54.79 51.40 2jsp n ASP 19 Cb 0.00 -1.60 0.03 0.00 -0.64 0.00 0.00 41.12 38.90 2jsp n ASP 19 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jsp n ASP 20 N 15.64 -5.11 -3.69 -2.24 2.03 -1.26 -4.99 116.55 116.93 2jsp n ASP 20 Ca 0.44 -0.50 -0.10 0.00 0.52 0.00 0.00 54.79 55.15 2jsp n ASP 20 Cb 0.46 -4.12 -0.11 0.00 -0.72 0.00 0.00 41.12 36.64 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 -3.16 -0.64 -0.22 -0.67 -3.43 -1.23 -4.36 115.29 101.58 2jsp s HIS 21 Ca 0.48 1.32 -0.07 0.00 -0.80 0.00 0.00 55.06 55.99 2jsp s HIS 21 Cb -0.23 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 2jsp s HIS 21 CO 0.59 -0.38 0.06 -1.50 -2.00 0.00 0.00 174.74 171.51 2jsp s ILE 22 N 1.75 4.43 -0.01 -5.38 -1.16 0.11 -1.01 121.20 119.94 2jsp s ILE 22 Ca -0.07 -0.14 -0.30 0.00 -0.51 0.00 0.00 60.65 59.62 2jsp s ILE 22 Cb -0.10 -3.03 -0.03 0.00 0.61 0.00 0.00 42.46 39.91 2jsp s ILE 22 CO -0.12 0.40 1.04 0.54 -2.81 0.00 0.00 174.94 173.98 2jsp s VAL 23 N 1.06 4.65 -0.76 4.00 0.11 -0.89 -2.16 120.40 126.39 2jsp s VAL 23 Ca 0.04 1.91 -0.26 0.00 -2.93 0.00 0.00 61.98 60.73 2jsp s VAL 23 Cb -0.14 -4.22 0.02 0.00 -1.53 0.00 0.00 36.38 30.50 2jsp s VAL 23 CO 0.03 0.11 1.49 0.00 -3.33 0.00 0.00 175.10 173.41 2jsp n LEU 25 N 10.45 4.00 -1.26 0.00 7.99 -1.26 0.19 117.00 137.10 2jsp n LEU 25 Ca 0.14 1.10 -0.13 0.00 -0.01 0.00 0.00 56.01 57.12 2jsp n LEU 25 Cb 0.50 -1.56 -0.03 0.00 -0.11 0.00 0.00 43.42 42.22 2jsp n LEU 25 CO 0.69 0.08 -0.15 1.21 -1.51 0.00 0.00 177.39 177.72 2jsp n GLU 26 N 3.03 -0.99 0.13 3.23 0.00 -1.21 -4.77 120.64 120.07 2jsp n GLU 26 Ca 0.13 0.80 0.00 0.00 0.00 0.00 0.00 57.16 58.09 2jsp n GLU 26 Cb 0.35 -4.95 0.00 0.00 0.00 0.00 0.00 31.44 26.84 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jsp n GLY 28 N 0.98 3.21 3.64 0.00 0.00 0.13 -2.52 105.19 110.62 2jsp n GLY 28 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 0.03 3.30 -0.02 0.00 -1.26 -4.08 105.19 103.16 2jsp n GLY 29 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.61 2.94 0.20 1.61 0.15 -1.26 -0.13 113.70 116.60 2jsp s SER 30 Ca 0.61 -0.49 -0.23 0.00 0.70 0.00 0.00 55.95 56.53 2jsp s SER 30 Cb -0.57 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.48 2jsp s SER 30 CO 0.58 0.28 0.86 0.72 1.20 0.00 0.00 173.24 176.88 2jsp s PHE 31 N -0.66 -0.16 0.28 3.44 -0.12 -0.92 -4.89 117.98 114.94 2jsp s PHE 31 Ca 0.10 -0.20 0.20 0.00 -0.05 0.00 0.00 56.93 56.98 2jsp s PHE 31 Cb -0.10 0.66 0.93 0.00 -0.63 0.00 0.00 43.02 43.89 2jsp s PHE 31 CO 0.00 -0.99 1.86 0.87 -0.05 0.00 0.00 175.22 176.92 2jsp h LYS 32 N 2.00 0.00 -3.14 1.99 1.57 -1.86 0.31 116.57 117.45 2jsp h LYS 32 Ca -0.22 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.97 2jsp h LYS 32 Cb 1.24 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.15 2jsp h LYS 32 CO 0.25 0.29 -0.77 -1.54 -0.57 0.00 0.00 179.45 177.10 2jsp s SER 33 N -6.45 3.68 0.11 0.86 1.04 -1.26 -0.40 113.70 111.28 2jsp s SER 33 Ca -0.01 -1.98 -0.14 0.00 0.48 0.00 0.00 55.95 54.29 2jsp s SER 33 Cb 0.12 -0.78 -0.09 0.00 0.10 0.00 0.00 66.02 65.38 2jsp s SER 33 CO 0.66 -0.36 1.41 0.25 0.98 0.00 0.00 173.24 176.19 2jsp h LEU 34 N 7.54 0.82 -0.46 2.42 6.46 -1.79 -3.34 115.31 126.96 2jsp h LEU 34 Ca -0.07 -0.49 0.04 0.00 -0.12 0.00 0.00 57.88 57.24 2jsp h LEU 34 Cb 0.98 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 2jsp h LEU 34 CO 0.43 1.15 -0.28 0.50 -0.62 0.00 0.00 178.44 179.62 2jsp h LYS 35 N 0.51 -0.01 0.32 1.25 3.64 -1.85 0.34 116.57 120.77 2jsp h LYS 35 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jsp h LYS 35 Cb 0.94 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2jsp h LYS 35 CO 0.09 -0.00 -0.39 0.00 -2.27 0.00 0.00 179.45 176.87 2jsp h ARG 36 N -0.01 -0.72 -0.61 1.90 3.08 -1.92 0.30 114.38 116.39 2jsp h ARG 36 Ca 0.07 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.29 2jsp h ARG 36 Cb 0.20 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 30.29 2jsp h ARG 36 CO -0.44 -0.48 -0.26 1.25 -1.07 0.00 0.00 179.97 178.97 2jsp h HIS 37 N -0.75 -0.65 0.00 3.04 2.76 -1.58 0.34 115.15 118.31 2jsp h HIS 37 Ca -0.02 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2jsp h HIS 37 Cb 0.69 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jsp h HIS 37 CO -0.24 -0.34 0.00 -0.11 -1.30 0.00 0.00 177.93 175.94 2jsp n LEU 38 N -5.44 0.00 -0.06 0.26 -0.00 0.12 -0.71 117.00 111.16 2jsp n LEU 38 Ca 0.06 0.96 0.18 0.00 -0.00 0.00 0.00 56.01 57.21 2jsp n LEU 38 Cb 0.35 -0.46 0.61 0.00 -0.00 0.00 0.00 43.42 43.92 2jsp n LEU 38 CO 0.02 -0.46 1.19 0.74 -0.00 0.00 0.00 177.39 178.88 2jsp h THR 39 N 0.00 0.77 0.34 1.96 2.02 -0.32 0.75 112.91 118.43 2jsp h THR 39 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2jsp h THR 39 Cb 0.00 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2jsp h THR 39 CO 0.00 0.03 -0.16 0.74 0.37 0.00 0.00 175.52 176.50 2jsp h THR 40 N 0.18 0.00 0.00 3.16 2.02 -0.31 -3.29 112.91 114.67 2jsp h THR 40 Ca 0.29 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2jsp h THR 40 Cb 0.91 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2jsp h THR 40 CO -0.05 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.25 2jsp n HIS 41 N -3.97 0.00 0.29 3.16 8.25 0.11 -4.28 115.22 118.79 2jsp n HIS 41 Ca -0.06 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.58 2jsp n HIS 41 Cb 0.18 -0.25 0.99 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.98 4.41 -0.00 -1.45 -3.49 115.15 113.64 2jsp h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsp h HIS 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2jsp h HIS 42 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.93 176.80 2jsp n SER 43 N -3.56 -2.94 -1.03 2.45 3.41 0.25 -4.89 113.62 107.31 2jsp n SER 43 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 2jsp n SER 43 Cb 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2jsp n SER 43 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2jsp n MET 44 N -0.56 -2.24 -2.28 4.33 2.81 -1.26 -4.03 117.12 113.88 2jsp n MET 44 Ca 0.00 1.69 -0.34 0.00 -1.81 0.00 0.00 57.70 57.24 2jsp n MET 44 Cb 0.00 -2.67 -0.00 0.00 -0.71 0.00 0.00 33.22 29.83 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 -2.98 3.43 0.24 2.03 -4.23 -1.26 -4.18 115.64 108.70 2jsp s THR 45 Ca 0.00 0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 61.31 2jsp s THR 45 Cb 0.00 -3.33 0.21 0.00 1.34 0.00 0.00 72.50 70.72 2jsp s THR 45 CO 0.00 -0.24 1.83 1.55 -0.54 0.00 0.00 174.62 177.23 2jsp h PRO 46 N 1.13 0.87 -0.80 3.99 0.13 -1.93 -1.35 132.00 134.04 2jsp h PRO 46 Ca -0.49 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2jsp h PRO 46 Cb 1.24 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 2jsp h PRO 46 CO 0.57 0.57 0.45 0.93 -0.23 0.00 0.00 178.00 180.29 2jsp h GLU 47 N 0.89 1.10 -0.74 0.86 5.08 -1.94 -2.60 114.58 117.23 2jsp h GLU 47 Ca 0.39 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2jsp h GLU 47 Cb 0.26 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2jsp h GLU 47 CO -0.21 0.80 0.34 1.49 -1.00 0.00 0.00 179.01 180.44 2jsp h GLU 48 N 1.11 1.08 -0.64 2.33 4.57 -1.66 -2.32 114.58 119.05 2jsp h GLU 48 Ca 0.28 -0.17 0.11 0.00 -1.18 0.00 0.00 59.36 58.41 2jsp h GLU 48 Cb 0.01 -0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 28.33 2jsp h GLU 48 CO -0.05 0.85 0.21 -0.92 -1.18 0.00 0.00 179.01 177.92 2jsp h TYR 49 N 1.05 0.35 -0.22 0.92 5.03 -1.05 -2.07 116.97 120.98 2jsp h TYR 49 Ca 0.25 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 2jsp h TYR 49 Cb 0.14 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 2jsp h TYR 49 CO 0.01 0.04 0.09 0.07 -1.32 0.00 0.00 178.16 177.05 2jsp h ARG 50 N 0.36 0.30 -0.43 1.82 -0.00 -1.05 -2.57 114.38 112.81 2jsp h ARG 50 Ca 0.33 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.26 2jsp h ARG 50 Cb 0.47 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 30.36 2jsp h ARG 50 CO -0.36 0.25 0.16 1.49 -0.00 0.00 0.00 179.97 181.51 2jsp h GLU 51 N 0.30 0.65 -0.70 0.08 4.81 -1.26 0.65 114.58 119.11 2jsp h GLU 51 Ca 0.08 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2jsp h GLU 51 Cb 0.06 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2jsp h GLU 51 CO -0.01 0.61 0.21 1.57 -0.73 0.00 0.00 179.01 180.66 2jsp h LYS 52 N 0.55 1.08 0.00 1.92 5.09 -1.47 -0.61 116.57 123.13 2jsp h LYS 52 Ca 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.65 2jsp h LYS 52 Cb 0.21 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.38 2jsp h LYS 52 CO -0.01 0.93 0.00 0.91 -2.09 0.00 0.00 179.45 179.19 2jsp n TRP 53 N -4.25 0.54 -2.05 0.07 7.02 -1.15 -4.92 117.44 112.69 2jsp n TRP 53 Ca 0.06 0.19 -0.19 0.00 -1.02 0.00 0.00 57.50 56.54 2jsp n TRP 53 Cb 0.23 -0.81 -0.04 0.00 -2.42 0.00 0.00 31.31 28.27 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 -1.97 -5.22 -4.61 -0.99 8.00 0.01 -4.90 116.55 106.87 2jsp n ASP 54 Ca 0.04 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 2jsp n ASP 54 Cb 0.27 -4.48 -0.02 0.00 -0.02 0.00 0.00 41.12 36.87 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jsp s LEU 55 N -5.33 3.69 0.43 0.64 1.02 -0.03 -4.93 118.68 114.17 2jsp s LEU 55 Ca 0.00 1.27 -0.25 0.00 0.02 0.00 0.00 54.13 55.17 2jsp s LEU 55 Cb 0.00 -3.53 -0.10 0.00 0.02 0.00 0.00 46.19 42.58 2jsp s LEU 55 CO 0.00 -1.42 1.22 -0.81 0.02 0.00 0.00 176.35 175.35 2jsp n PRO 56 N 7.97 1.78 -1.39 1.29 -0.04 -1.26 -2.40 135.00 140.95 2jsp n PRO 56 Ca 0.19 0.64 -0.13 0.00 -0.04 0.00 0.00 63.50 64.15 2jsp n PRO 56 Cb 0.47 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 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 -0.31 0.00 -3.98 0.52 3.14 -1.26 -3.17 118.33 113.26 2jsp n VAL 57 Ca 0.07 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.05 2jsp n VAL 57 Cb 0.40 -1.29 0.02 0.00 -1.06 0.00 0.00 33.84 31.91 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 -0.54 -3.85 -4.43 6.55 5.75 -1.01 -4.87 116.55 114.16 2jsp n ASP 58 Ca -0.13 -1.21 -0.42 0.00 -0.01 0.00 0.00 54.79 53.02 2jsp n ASP 58 Cb 0.44 -2.21 0.01 0.00 -1.03 0.00 0.00 41.12 38.33 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 -4.75 -0.78 -1.90 2.11 4.11 -1.19 -4.85 117.16 109.91 2jsp n TYR 59 Ca -0.13 0.61 -0.42 0.00 -0.00 0.00 0.00 57.90 57.96 2jsp n TYR 59 Cb 0.59 -1.95 -0.03 0.00 -0.00 0.00 0.00 39.34 37.95 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2jsp s PRO 60 N -1.47 4.17 -0.64 -3.48 0.04 -1.26 -4.91 135.00 127.46 2jsp s PRO 60 Ca 0.63 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 64.00 2jsp s PRO 60 Cb -0.61 -3.93 0.44 0.00 0.04 0.00 0.00 34.50 30.43 2jsp s PRO 60 CO 0.59 -0.85 1.91 0.00 0.04 0.00 0.00 177.00 178.69 2jsp n MET 61 N 6.84 2.83 -4.31 4.56 0.00 -1.26 -4.91 117.12 120.87 2jsp n MET 61 Ca 0.18 -3.45 -0.16 0.00 0.00 0.00 0.00 57.70 54.26 2jsp n MET 61 Cb 0.42 -2.29 -0.10 0.00 0.00 0.00 0.00 33.22 31.25 2jsp n MET 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2jsp s VAL 62 N -4.84 0.70 0.12 3.17 1.01 -1.26 -2.39 120.40 116.90 2jsp s VAL 62 Ca 0.61 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 2jsp s VAL 62 Cb 0.49 -2.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.23 2jsp s VAL 62 CO -0.05 -0.14 0.43 0.00 0.00 0.00 0.00 175.10 175.33 2jsp n ALA 63 N -0.43 -2.38 -0.23 5.51 0.00 0.46 -4.81 120.51 118.63 2jsp n ALA 63 Ca -0.02 0.33 0.31 0.00 0.00 0.00 0.00 53.44 54.06 2jsp n ALA 63 Cb 0.65 -1.14 0.73 0.00 0.00 0.00 0.00 19.45 19.70 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 0.92 0.00 -0.24 0.00 0.13 -1.89 -0.40 132.00 130.53 2jsp h PRO 64 Ca -0.22 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 2jsp h PRO 64 Cb 1.01 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.90 2jsp h PRO 64 CO 0.41 0.00 -0.77 0.00 -0.23 0.00 0.00 178.00 177.41 2jsp n ALA 65 N -2.71 3.61 0.28 -0.56 0.00 -1.26 -4.94 120.51 114.92 2jsp n ALA 65 Ca 0.21 -3.17 -0.16 0.00 0.00 0.00 0.00 53.44 50.32 2jsp n ALA 65 Cb 1.09 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 1.49 -0.61 -1.28 0.00 3.20 -1.39 -3.47 116.97 114.91 2jsp h TYR 66 Ca 0.03 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.06 2jsp h TYR 66 Cb 1.35 0.20 -0.25 0.00 1.54 0.00 0.00 36.73 39.57 2jsp h TYR 66 CO 0.63 -0.38 0.77 0.00 -1.64 0.00 0.00 178.16 177.55 2jsp s ALA 67 N -6.09 -2.04 0.00 1.82 0.00 -1.26 -5.08 121.76 109.11 2jsp s ALA 67 Ca -0.16 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2jsp s ALA 67 Cb 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2jsp s ALA 67 CO 0.63 -0.28 0.00 0.39 0.00 0.00 0.00 175.76 176.51 2jsp n GLU 68 N 0.60 0.00 -3.32 0.00 1.02 -1.26 -4.93 120.64 112.75 2jsp n GLU 68 Ca -0.04 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.86 2jsp n GLU 68 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsp n ALA 69 N 2.31 -1.05 -3.28 0.62 0.00 -1.26 -4.91 120.51 112.93 2jsp n ALA 69 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 2jsp n ALA 69 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 2jsp n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jsp s ARG 70 N -5.97 0.75 0.00 0.00 3.52 -1.26 -5.01 118.95 110.97 2jsp s ARG 70 Ca 0.39 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2jsp s ARG 70 Cb -0.20 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.54 2jsp s ARG 70 CO 0.48 -1.24 0.00 0.45 -0.81 0.00 0.00 175.30 174.18 2jsp n SER 71 N 3.92 0.00 -4.05 -2.12 2.88 -1.26 -4.22 113.62 108.76 2jsp n SER 71 Ca 0.14 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.26 2jsp n SER 71 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2jsp n SER 71 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jsp n ARG 72 N 0.00 3.32 -2.58 -1.46 0.63 -1.26 -4.93 116.66 110.37 2jsp n ARG 72 Ca 0.00 -3.32 -0.41 0.00 -0.92 0.00 0.00 57.85 53.20 2jsp n ARG 72 Cb 0.00 -3.12 -0.03 0.00 0.45 0.00 0.00 32.46 29.76 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2jsp s LEU 73 N 1.42 3.29 -0.29 6.15 2.34 -1.26 -4.81 118.68 125.52 2jsp s LEU 73 Ca 0.44 -0.41 -0.33 0.00 0.06 0.00 0.00 54.13 53.90 2jsp s LEU 73 Cb 0.07 -2.63 -0.09 0.00 -0.56 0.00 0.00 46.19 42.98 2jsp s LEU 73 CO -0.01 -1.76 2.19 0.00 -1.06 0.00 0.00 176.35 175.71 2jsp n ALA 74 N 9.13 1.33 -1.97 1.48 0.00 -1.26 -4.89 120.51 124.33 2jsp n ALA 74 Ca 0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 2jsp n ALA 74 Cb 0.49 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 2jsp n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jsp s LYS 75 N 6.19 2.38 -0.30 0.00 2.20 -1.26 -4.86 119.74 124.08 2jsp s LYS 75 Ca 1.06 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 2jsp s LYS 75 Cb -0.66 -5.04 0.15 0.00 -1.51 0.00 0.00 37.83 30.77 2jsp s LYS 75 CO 0.44 -3.64 0.36 -1.21 -0.36 0.00 0.00 175.35 170.94 2jsp s GLU 76 N 7.26 0.41 0.45 4.03 2.02 -1.26 -5.01 118.70 126.60 2jsp s GLU 76 Ca 0.73 -0.14 0.15 0.00 0.02 0.00 0.00 54.97 55.74 2jsp s GLU 76 Cb -0.07 -0.51 1.01 0.00 0.10 0.00 0.00 34.13 34.66 2jsp s GLU 76 CO 0.02 -1.06 1.98 0.00 0.02 0.00 0.00 175.26 176.22 2jsp h MET 77 N 8.03 0.00 0.00 1.61 -0.00 -2.03 -3.49 114.93 119.04 2jsp h MET 77 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2jsp h MET 77 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2jsp h MET 77 CO 0.28 0.20 0.00 0.41 -0.00 0.00 0.00 176.91 177.80 2jsp n GLY 78 N -0.92 2.76 0.08 -3.00 0.00 -1.26 -4.92 105.19 97.94 2jsp n GLY 78 Ca -0.02 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2jsp n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jsp h LEU 79 N 0.00 0.00 -0.82 0.99 4.07 -2.04 -3.51 115.31 114.01 2jsp h LEU 79 Ca 0.00 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.33 2jsp h LEU 79 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jsp h LEU 79 CO 0.00 1.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.99 2jsp n GLY 80 N 1.60 0.72 3.35 0.83 0.00 -1.26 -5.06 105.19 105.36 2jsp n GLY 80 Ca -0.14 -0.43 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 2jsp n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsp s GLN 81 N -1.54 3.16 -0.66 1.61 -0.21 -1.26 -4.99 119.66 115.78 2jsp s GLN 81 Ca 0.00 -1.69 -0.26 0.00 0.02 0.00 0.00 55.36 53.43 2jsp s GLN 81 Cb 0.00 -4.35 -0.09 0.00 1.00 0.00 0.00 33.01 29.57 2jsp s GLN 81 CO 0.00 -1.44 2.33 -0.98 -2.12 0.00 0.00 175.29 173.08 2jsp s ARG 82 N 1.85 1.96 -0.28 2.91 1.70 -1.26 -4.89 118.95 120.94 2jsp s ARG 82 Ca 0.11 0.83 -0.22 0.00 -0.47 0.00 0.00 55.73 55.98 2jsp s ARG 82 Cb -0.22 -4.69 0.11 0.00 -0.57 0.00 0.00 34.95 29.58 2jsp s ARG 82 CO 0.01 -3.74 0.91 -0.98 -1.08 0.00 0.00 175.30 170.43 2jsp s ARG 83 N 8.34 0.57 -0.33 3.89 1.70 -1.26 -5.13 118.95 126.74 2jsp s ARG 83 Ca 0.91 0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 56.93 2jsp s ARG 83 Cb -0.14 0.23 0.12 0.00 -0.57 0.00 0.00 34.95 34.59 2jsp s ARG 83 CO 0.16 -0.08 0.18 0.15 -1.08 0.00 0.00 175.30 174.62 2jsp s LYS 84 N 0.67 0.41 -0.21 3.89 1.02 -1.26 -5.13 119.74 119.14 2jsp s LYS 84 Ca -0.02 -1.02 -0.27 0.00 0.02 0.00 0.00 55.97 54.68 2jsp s LYS 84 Cb -0.05 -1.26 0.09 0.00 -0.52 0.00 0.00 37.83 36.09 2jsp s LYS 84 CO -0.08 -1.13 0.80 0.00 -0.92 0.00 0.00 175.35 174.01 2jsp s ALA 85 N 1.47 -1.83 0.05 5.17 0.00 -1.26 -5.08 121.76 120.29 2jsp s ALA 85 Ca 0.14 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2jsp s ALA 85 Cb -0.20 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2jsp s ALA 85 CO -0.14 -0.32 0.00 -1.71 0.00 0.00 0.00 175.76 173.59 2jsp n ASN 86 N 2.00 -0.49 -0.25 0.00 5.15 -1.26 -5.31 115.26 115.09 2jsp n ASN 86 Ca -0.15 0.25 0.03 0.00 -0.60 0.00 0.00 54.58 54.12 2jsp n ASN 86 Cb 0.56 0.68 0.03 0.00 -0.53 0.00 0.00 39.78 40.52 2jsp n ASN 86 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52