#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 -0.81 0.00 0.24 -1.26 -4.91 118.33 111.59 2jsp n VAL 2 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2jsp n VAL 2 Cb 0.00 -0.66 -0.09 0.00 -1.47 0.00 0.00 33.84 31.62 2jsp n VAL 2 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2jsp n ASN 3 N -1.97 4.78 0.00 -1.34 6.94 -1.26 -4.64 115.26 117.76 2jsp n ASN 3 Ca 0.00 -2.29 -0.11 0.00 -0.02 0.00 0.00 54.58 52.16 2jsp n ASN 3 Cb 0.00 -1.12 -0.06 0.00 -2.36 0.00 0.00 39.78 36.24 2jsp n ASN 3 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2jsp h VAL 4 N 2.64 1.05 -0.25 3.53 3.04 -1.98 -3.43 116.25 120.84 2jsp h VAL 4 Ca 0.32 -0.12 0.10 0.00 -1.01 0.00 0.00 66.70 65.99 2jsp h VAL 4 Cb 0.78 0.98 -0.17 0.00 -2.01 0.00 0.00 31.29 30.86 2jsp h VAL 4 CO 0.77 0.04 -0.13 -0.70 -1.01 0.00 0.00 177.57 176.54 2jsp s GLU 5 N -6.05 0.22 0.00 4.17 2.12 -1.26 -5.02 118.70 112.88 2jsp s GLU 5 Ca -0.13 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.09 2jsp s GLU 5 Cb 0.07 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2jsp s GLU 5 CO 0.68 -0.31 0.00 0.36 -0.54 0.00 0.00 175.26 175.45 2jsp n LYS 6 N 3.52 0.00 -1.39 4.30 2.85 -1.26 -5.17 118.16 121.02 2jsp n LYS 6 Ca 0.07 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.48 2jsp n LYS 6 Cb 0.63 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.93 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2jsp n GLN 7 N -0.60 -3.26 -3.69 -1.58 3.00 -1.26 -4.88 117.38 105.10 2jsp n GLN 7 Ca 0.00 2.66 -0.37 0.00 -0.01 0.00 0.00 57.00 59.28 2jsp n GLN 7 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 30.24 26.40 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 -4.36 2.50 -0.17 -1.09 0.00 -1.24 -5.01 119.74 110.37 2jsp s LYS 8 Ca 0.00 -2.31 -0.29 0.00 0.00 0.00 0.00 55.97 53.37 2jsp s LYS 8 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 37.83 34.04 2jsp s LYS 8 CO 0.00 -1.16 1.57 -1.25 0.00 0.00 0.00 175.35 174.51 2jsp s PRO 9 N 0.33 3.96 -1.49 1.78 0.04 -1.26 -3.02 135.00 135.34 2jsp s PRO 9 Ca 0.14 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2jsp s PRO 9 Cb -0.21 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.36 2jsp s PRO 9 CO -0.04 -1.09 2.47 0.00 0.04 0.00 0.00 177.00 178.38 2jsp n ALA 10 N 7.84 6.33 -0.29 8.56 0.00 -1.26 -4.92 120.51 136.77 2jsp n ALA 10 Ca 0.18 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.80 2jsp n ALA 10 Cb 0.45 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.52 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 4.17 0.00 -1.92 0.00 0.24 -1.26 -4.79 118.33 114.78 2jsp n VAL 11 Ca 0.61 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.62 2jsp n VAL 11 Cb 0.32 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.77 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 4.80 0.13 -1.34 0.15 -1.26 -5.07 113.70 107.12 2jsp s SER 12 Ca 0.00 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2jsp s SER 12 Cb 0.00 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2jsp s SER 12 CO 0.00 -1.72 0.00 0.55 1.20 0.00 0.00 173.24 173.27 2jsp n VAL 13 N -3.20 0.00 0.00 4.45 3.14 -1.26 -4.24 118.33 117.22 2jsp n VAL 13 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2jsp n VAL 13 Cb 0.60 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2jsp n VAL 13 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2jsp n ARG 14 N -0.26 0.00 -0.35 1.45 3.00 -1.26 -4.26 116.66 114.98 2jsp n ARG 14 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.87 2jsp n ARG 14 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.62 2jsp n ARG 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2jsp n LYS 15 N 0.00 2.52 0.22 5.56 4.81 -1.26 -3.79 118.16 126.23 2jsp n LYS 15 Ca 0.00 -1.24 0.10 0.00 -0.87 0.00 0.00 58.31 56.30 2jsp n LYS 15 Cb 0.00 -1.79 0.67 0.00 0.02 0.00 0.00 35.03 33.93 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 1.59 0.00 -3.16 3.14 0.02 -1.74 -3.39 113.55 110.01 2jsp h SER 16 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2jsp h SER 16 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 2jsp h SER 16 CO 0.19 0.00 0.86 -0.69 -1.14 0.00 0.00 176.83 176.05 2jsp s VAL 17 N -5.03 4.47 0.04 2.27 1.01 -1.25 -2.32 120.40 119.59 2jsp s VAL 17 Ca -0.05 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2jsp s VAL 17 Cb 0.17 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2jsp s VAL 17 CO 0.67 -0.34 0.01 0.00 0.00 0.00 0.00 175.10 175.44 2jsp n GLN 18 N 6.74 1.12 -1.85 2.72 6.02 -1.01 -5.04 117.38 126.08 2jsp n GLN 18 Ca 0.13 -0.31 -0.22 0.00 -0.01 0.00 0.00 57.00 56.60 2jsp n GLN 18 Cb 0.46 0.15 -0.08 0.00 1.02 0.00 0.00 30.24 31.79 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 -1.22 4.34 -1.53 1.08 1.01 -1.26 -3.45 116.67 115.63 2jsp s ASP 19 Ca 0.01 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.15 2jsp s ASP 19 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2jsp s ASP 19 CO 0.01 -3.74 0.00 0.47 0.21 0.00 0.00 175.17 172.12 2jsp n ASP 20 N 16.73 -4.94 -3.57 0.27 8.00 -1.26 -4.97 116.55 126.80 2jsp n ASP 20 Ca 0.43 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.91 2jsp n ASP 20 Cb 0.46 -4.20 -0.13 0.00 -0.02 0.00 0.00 41.12 37.23 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jsp s HIS 21 N -2.78 -0.34 0.02 1.24 -3.43 -1.22 -3.89 115.29 104.88 2jsp s HIS 21 Ca 0.00 0.58 -0.23 0.00 -0.80 0.00 0.00 55.06 54.61 2jsp s HIS 21 Cb 0.00 -0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 2jsp s HIS 21 CO 0.00 -0.47 0.69 -1.50 -2.00 0.00 0.00 174.74 171.46 2jsp s ILE 22 N 2.36 4.83 -0.10 -5.38 2.07 0.13 -2.40 121.20 122.72 2jsp s ILE 22 Ca 0.05 1.45 -0.24 0.00 -1.41 0.00 0.00 60.65 60.50 2jsp s ILE 22 Cb -0.14 -4.03 -0.03 0.00 0.13 0.00 0.00 42.46 38.39 2jsp s ILE 22 CO -0.10 0.38 0.72 0.54 -1.91 0.00 0.00 174.94 174.57 2jsp s VAL 23 N -0.05 5.01 -0.72 4.00 0.11 -0.98 -2.10 120.40 125.67 2jsp s VAL 23 Ca 0.35 1.46 -0.26 0.00 -2.93 0.00 0.00 61.98 60.60 2jsp s VAL 23 Cb -0.19 -4.05 0.04 0.00 -1.53 0.00 0.00 36.38 30.64 2jsp s VAL 23 CO 0.20 0.19 1.21 0.00 -3.33 0.00 0.00 175.10 173.36 2jsp n LEU 25 N 8.99 3.34 0.00 0.00 7.99 -1.26 0.69 117.00 136.74 2jsp n LEU 25 Ca 0.01 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.14 2jsp n LEU 25 Cb 0.48 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 2jsp n LEU 25 CO 0.69 -0.86 0.00 1.21 -1.51 0.00 0.00 177.39 176.92 2jsp n GLU 26 N 0.29 0.00 -0.01 3.23 4.07 -1.17 -4.52 120.64 122.54 2jsp n GLU 26 Ca 0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.16 2jsp n GLU 26 Cb 0.38 -1.84 -0.01 0.00 -0.06 0.00 0.00 31.44 29.91 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n GLY 28 N 3.43 2.64 3.60 0.00 0.00 0.22 -4.86 105.19 110.21 2jsp n GLY 28 Ca -0.02 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.37 3.59 -0.02 0.00 -1.26 -4.06 105.19 103.07 2jsp n GLY 29 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2jsp n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jsp s SER 30 N -0.91 4.51 0.20 1.61 0.01 -1.26 -1.43 113.70 116.44 2jsp s SER 30 Ca 0.67 -0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.42 2jsp s SER 30 Cb -0.51 -0.95 0.05 0.00 0.21 0.00 0.00 66.02 64.83 2jsp s SER 30 CO 0.54 0.21 0.67 0.72 0.41 0.00 0.00 173.24 175.79 2jsp s PHE 31 N -1.14 -0.39 0.36 2.43 -0.12 -0.89 -4.92 117.98 113.31 2jsp s PHE 31 Ca 0.20 0.08 0.16 0.00 -0.05 0.00 0.00 56.93 57.32 2jsp s PHE 31 Cb -0.11 0.62 0.86 0.00 -0.63 0.00 0.00 43.02 43.76 2jsp s PHE 31 CO 0.12 -0.99 1.87 -0.22 -0.05 0.00 0.00 175.22 175.96 2jsp h LYS 32 N 2.00 0.00 -4.66 1.99 3.11 -1.87 0.38 116.57 117.52 2jsp h LYS 32 Ca -0.28 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.11 2jsp h LYS 32 Cb 1.28 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 32.20 2jsp h LYS 32 CO 0.32 0.31 -0.80 -1.54 -2.81 0.00 0.00 179.45 174.93 2jsp s SER 33 N -6.77 1.41 -0.07 4.20 1.04 -1.26 -1.05 113.70 111.20 2jsp s SER 33 Ca -0.03 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.24 2jsp s SER 33 Cb 0.14 -0.43 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 2jsp s SER 33 CO 0.70 0.07 0.02 -0.11 0.98 0.00 0.00 173.24 174.89 2jsp n LEU 34 N 3.37 0.27 -0.26 2.42 7.94 0.05 -4.47 117.00 126.32 2jsp n LEU 34 Ca -0.19 -0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.77 2jsp n LEU 34 Cb 0.53 0.13 0.20 0.00 0.53 0.00 0.00 43.42 44.81 2jsp n LEU 34 CO 0.25 0.22 0.88 0.07 -1.11 0.00 0.00 177.39 177.69 2jsp h LYS 35 N 0.00 0.16 0.41 1.96 5.09 -0.44 0.48 116.57 124.24 2jsp h LYS 35 Ca -0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 60.52 2jsp h LYS 35 Cb 1.43 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.73 2jsp h LYS 35 CO 0.01 0.11 -0.20 0.00 -2.09 0.00 0.00 179.45 177.28 2jsp h ARG 36 N 0.17 -0.53 -0.75 0.07 3.08 -1.85 -3.00 114.38 111.56 2jsp h ARG 36 Ca 0.45 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.70 2jsp h ARG 36 Cb 0.81 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.87 2jsp h ARG 36 CO -0.62 -0.26 0.13 1.25 -1.07 0.00 0.00 179.97 179.40 2jsp h HIS 37 N -1.06 0.19 0.00 3.04 2.76 -1.52 0.34 115.15 118.90 2jsp h HIS 37 Ca -0.06 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2jsp h HIS 37 Cb 0.52 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2jsp h HIS 37 CO 0.02 -0.15 0.00 -0.11 -1.30 0.00 0.00 177.93 176.39 2jsp n LEU 38 N -5.22 0.00 0.22 0.26 -0.00 0.16 -0.39 117.00 112.03 2jsp n LEU 38 Ca 0.15 0.93 0.15 0.00 -0.00 0.00 0.00 56.01 57.23 2jsp n LEU 38 Cb 0.49 -0.43 0.80 0.00 -0.00 0.00 0.00 43.42 44.28 2jsp n LEU 38 CO 0.10 -0.43 1.13 0.74 -0.00 0.00 0.00 177.39 178.93 2jsp h THR 39 N 0.00 0.62 0.25 1.96 2.02 -1.09 0.67 112.91 117.34 2jsp h THR 39 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2jsp h THR 39 Cb 0.00 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2jsp h THR 39 CO 0.00 0.00 -0.12 0.74 0.37 0.00 0.00 175.52 176.51 2jsp h THR 40 N 0.00 0.00 0.00 3.16 2.02 -0.24 -3.31 112.91 114.53 2jsp h THR 40 Ca 0.06 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2jsp h THR 40 Cb 0.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2jsp h THR 40 CO -0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 2jsp n HIS 41 N -3.26 0.00 0.27 3.16 8.25 0.48 -4.29 115.22 119.83 2jsp n HIS 41 Ca -0.04 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.60 2jsp n HIS 41 Cb 0.13 -0.18 0.93 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.81 4.41 -0.00 -1.60 -3.49 115.15 113.66 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 -3.41 -2.44 -1.24 2.45 3.41 0.23 -4.91 113.62 107.71 2jsp n SER 43 Ca -0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 2jsp n SER 43 Cb 0.27 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.00 -2.69 -2.62 4.33 2.81 -1.26 -3.70 117.12 113.99 2jsp n MET 44 Ca 0.00 2.00 -0.36 0.00 -1.81 0.00 0.00 57.70 57.53 2jsp n MET 44 Cb 0.00 -3.21 -0.05 0.00 -0.71 0.00 0.00 33.22 29.25 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 -3.05 3.90 0.25 2.03 -4.23 -1.26 -3.84 115.64 109.43 2jsp s THR 45 Ca 0.00 1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 61.87 2jsp s THR 45 Cb 0.00 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.36 2jsp s THR 45 CO 0.00 -0.03 1.87 1.55 -0.54 0.00 0.00 174.62 177.46 2jsp h PRO 46 N 2.46 1.02 -0.76 3.99 0.13 -1.90 -0.18 132.00 136.77 2jsp h PRO 46 Ca -0.48 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2jsp h PRO 46 Cb 1.21 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2jsp h PRO 46 CO 0.62 0.68 0.37 1.49 -0.23 0.00 0.00 178.00 180.93 2jsp h GLU 47 N 1.06 1.08 -0.34 0.86 4.22 -1.94 0.00 114.58 119.52 2jsp h GLU 47 Ca 0.39 -0.15 -0.08 0.00 0.08 0.00 0.00 59.36 59.59 2jsp h GLU 47 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jsp h GLU 47 CO -0.16 0.84 -0.11 1.49 -2.18 0.00 0.00 179.01 178.88 2jsp h GLU 48 N 1.06 0.68 -0.86 1.92 4.81 -1.80 -3.16 114.58 117.23 2jsp h GLU 48 Ca 0.26 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2jsp h GLU 48 Cb 0.11 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2jsp h GLU 48 CO -0.03 0.86 0.56 -0.92 -0.73 0.00 0.00 179.01 178.75 2jsp h TYR 49 N 0.46 0.97 -0.65 0.92 3.20 -0.71 -1.44 116.97 119.72 2jsp h TYR 49 Ca 0.08 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.08 2jsp h TYR 49 Cb 0.62 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2jsp h TYR 49 CO 0.05 0.50 0.43 0.07 -1.64 0.00 0.00 178.16 177.57 2jsp h ARG 50 N 0.94 0.47 -0.56 1.82 -0.00 -0.96 -1.48 114.38 114.62 2jsp h ARG 50 Ca 0.38 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.98 60.28 2jsp h ARG 50 Cb 0.25 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.97 30.09 2jsp h ARG 50 CO -0.14 0.31 0.13 0.93 -0.00 0.00 0.00 179.97 181.20 2jsp h GLU 51 N 0.49 0.86 -0.39 0.08 5.08 -1.34 0.20 114.58 119.56 2jsp h GLU 51 Ca 0.30 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2jsp h GLU 51 Cb 0.53 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2jsp h GLU 51 CO -0.09 0.77 0.00 -0.22 -1.00 0.00 0.00 179.01 178.47 2jsp h LYS 52 N 0.83 0.11 -0.26 2.33 1.63 -1.28 -0.65 116.57 119.27 2jsp h LYS 52 Ca 0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2jsp h LYS 52 Cb 0.31 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2jsp h LYS 52 CO -0.00 0.07 0.00 0.91 -3.45 0.00 0.00 179.45 176.98 2jsp n TRP 53 N -5.19 0.33 -2.63 1.91 7.02 -1.12 -4.95 117.44 112.81 2jsp n TRP 53 Ca 0.02 -0.16 -0.16 0.00 -1.02 0.00 0.00 57.50 56.18 2jsp n TRP 53 Cb 0.20 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.83 -4.26 -4.54 -0.99 8.00 -0.03 -4.88 116.55 110.68 2jsp n ASP 54 Ca 0.17 0.04 -0.45 0.00 0.71 0.00 0.00 54.79 55.27 2jsp n ASP 54 Cb 0.45 -3.58 -0.04 0.00 -0.02 0.00 0.00 41.12 37.93 2jsp n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jsp n LEU 55 N -3.07 2.75 -4.72 0.64 4.77 0.49 -4.91 117.00 112.96 2jsp n LEU 55 Ca -0.13 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 2jsp n LEU 55 Cb 0.61 -1.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.29 2jsp n LEU 55 CO 0.26 -0.81 0.90 -0.81 -1.33 0.00 0.00 177.39 175.61 2jsp n PRO 56 N 8.62 1.46 -2.06 3.23 -0.04 -1.26 -2.35 135.00 142.60 2jsp n PRO 56 Ca 0.35 0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2jsp n PRO 56 Cb 0.38 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 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 -0.37 -4.15 0.52 3.14 -1.26 -2.10 118.33 112.81 2jsp n VAL 57 Ca 0.12 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.15 2jsp n VAL 57 Cb 0.45 -1.52 -0.03 0.00 -1.06 0.00 0.00 33.84 31.69 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 -1.29 -3.34 0.00 6.55 5.75 -0.99 -4.73 116.55 118.50 2jsp n ASP 58 Ca -0.14 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2jsp n ASP 58 Cb 0.53 -2.74 0.00 0.00 -1.03 0.00 0.00 41.12 37.89 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 -4.32 0.00 -1.72 2.11 9.36 -0.89 -4.78 117.16 116.91 2jsp n TYR 59 Ca 0.08 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.90 2jsp n TYR 59 Cb 0.49 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.22 2jsp n TYR 59 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2jsp n PRO 60 N 0.00 1.90 -1.20 2.98 -0.04 -1.26 -4.92 135.00 132.46 2jsp n PRO 60 Ca 0.00 0.68 -0.22 0.00 -0.04 0.00 0.00 63.50 63.92 2jsp n PRO 60 Cb 0.00 -2.47 0.16 0.00 -0.04 0.00 0.00 33.50 31.15 2jsp n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jsp n MET 61 N -0.28 2.29 -4.23 0.54 2.81 -1.26 -4.94 117.12 112.04 2jsp n MET 61 Ca 0.07 -3.13 -0.18 0.00 -1.81 0.00 0.00 57.70 52.66 2jsp n MET 61 Cb 0.41 -2.14 -0.11 0.00 -0.71 0.00 0.00 33.22 30.68 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 -3.59 1.29 0.01 2.03 1.01 -1.26 0.41 120.40 120.30 2jsp s VAL 62 Ca 0.56 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 2jsp s VAL 62 Cb 0.47 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2jsp s VAL 62 CO 0.07 -0.42 0.07 0.00 0.00 0.00 0.00 175.10 174.82 2jsp n ALA 63 N 0.55 -1.02 -0.04 5.51 0.00 -0.22 -4.77 120.51 120.53 2jsp n ALA 63 Ca -0.16 0.05 0.24 0.00 0.00 0.00 0.00 53.44 53.58 2jsp n ALA 63 Cb 0.57 -0.16 0.71 0.00 0.00 0.00 0.00 19.45 20.57 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 0.19 0.00 0.00 0.00 0.13 -1.86 0.10 132.00 130.56 2jsp h PRO 64 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2jsp h PRO 64 Cb 0.14 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.16 2jsp h PRO 64 CO 0.06 0.00 -0.62 0.00 -0.23 0.00 0.00 178.00 177.21 2jsp n ALA 65 N -2.49 3.22 -0.07 -0.56 0.00 -1.26 -4.91 120.51 114.43 2jsp n ALA 65 Ca 0.13 -2.97 -0.01 0.00 0.00 0.00 0.00 53.44 50.59 2jsp n ALA 65 Cb 0.83 -0.46 0.27 0.00 0.00 0.00 0.00 19.45 20.09 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 0.93 0.70 -1.91 0.00 3.20 -1.09 -3.44 116.97 115.37 2jsp h TYR 66 Ca -0.06 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2jsp h TYR 66 Cb 1.25 -0.21 -0.20 0.00 1.54 0.00 0.00 36.73 39.11 2jsp h TYR 66 CO 0.55 0.59 0.25 0.00 -1.64 0.00 0.00 178.16 177.91 2jsp s ALA 67 N -5.21 -1.81 0.01 1.82 0.00 -1.26 -5.04 121.76 110.26 2jsp s ALA 67 Ca -0.09 1.47 0.23 0.00 0.00 0.00 0.00 51.96 53.57 2jsp s ALA 67 Cb 0.16 -0.31 1.26 0.00 0.00 0.00 0.00 23.12 24.23 2jsp s ALA 67 CO 0.78 -0.35 1.69 1.49 0.00 0.00 0.00 175.76 179.36 2jsp h GLU 68 N 3.19 0.00 -6.17 0.00 4.57 -1.99 -3.47 114.58 110.72 2jsp h GLU 68 Ca -0.26 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.62 2jsp h GLU 68 Cb 1.15 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2jsp h GLU 68 CO 0.33 0.00 -0.67 0.00 -1.18 0.00 0.00 179.01 177.49 2jsp n ALA 69 N -1.78 -2.66 -0.32 2.92 0.00 -1.26 -4.91 120.51 112.50 2jsp n ALA 69 Ca -0.02 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2jsp n ALA 69 Cb 0.12 -1.50 0.25 0.00 0.00 0.00 0.00 19.45 18.32 2jsp n ALA 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jsp h ARG 70 N -0.26 0.73 0.00 0.00 2.43 -1.93 -3.45 114.38 111.89 2jsp h ARG 70 Ca -0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2jsp h ARG 70 Cb 1.25 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2jsp h ARG 70 CO 0.36 0.48 0.00 0.45 -1.51 0.00 0.00 179.97 179.75 2jsp n SER 71 N -4.78 0.00 -0.94 -3.80 2.88 -1.26 -4.99 113.62 100.73 2jsp n SER 71 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2jsp n SER 71 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2jsp n SER 71 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jsp n ARG 72 N 0.00 0.72 -2.68 -1.46 1.74 -1.26 -4.74 116.66 108.98 2jsp n ARG 72 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2jsp n ARG 72 Cb 0.00 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2jsp n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jsp n LEU 73 N 0.57 -0.55 -2.69 0.55 4.77 -1.26 -1.40 117.00 117.00 2jsp n LEU 73 Ca 0.00 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2jsp n LEU 73 Cb 0.34 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 2jsp n LEU 73 CO 0.00 -0.02 -0.55 0.00 -1.33 0.00 0.00 177.39 175.49 2jsp n ALA 74 N -2.60 -3.55 -3.38 -1.18 0.00 -1.26 -4.81 120.51 103.73 2jsp n ALA 74 Ca -0.04 1.01 -0.21 0.00 0.00 0.00 0.00 53.44 54.20 2jsp n ALA 74 Cb 0.53 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 18.01 2jsp n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jsp n LYS 75 N 0.98 -1.78 -3.85 0.00 4.81 -1.15 -5.03 118.16 112.14 2jsp n LYS 75 Ca -0.11 1.38 -0.08 0.00 -0.87 0.00 0.00 58.31 58.62 2jsp n LYS 75 Cb 0.18 -3.58 -0.00 0.00 0.02 0.00 0.00 35.03 31.64 2jsp n LYS 75 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jsp s GLU 76 N -3.36 1.99 -1.64 1.64 2.12 -0.49 -5.01 118.70 113.95 2jsp s GLU 76 Ca 0.16 -1.23 -0.17 0.00 0.36 0.00 0.00 54.97 54.10 2jsp s GLU 76 Cb -0.03 0.61 0.13 0.00 0.26 0.00 0.00 34.13 35.10 2jsp s GLU 76 CO 0.84 -0.92 0.86 0.00 -0.54 0.00 0.00 175.26 175.50 2jsp n MET 77 N -0.49 -4.02 0.00 4.30 0.00 -1.26 -4.76 117.12 110.89 2jsp n MET 77 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 57.70 58.10 2jsp n MET 77 Cb 0.60 -5.24 0.00 0.00 0.00 0.00 0.00 33.22 28.58 2jsp n MET 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jsp n GLY 78 N -1.50 2.87 0.27 3.17 0.00 -1.26 -5.08 105.19 103.65 2jsp n GLY 78 Ca 0.06 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.51 -0.97 0.99 4.07 -2.01 -3.48 115.31 113.39 2jsp h LEU 79 Ca 0.00 0.01 -0.41 0.00 0.08 0.00 0.00 57.88 57.56 2jsp h LEU 79 Cb 0.00 0.13 0.10 0.00 1.08 0.00 0.00 40.66 41.98 2jsp h LEU 79 CO 0.00 -0.09 -0.71 0.61 -1.08 0.00 0.00 178.44 177.18 2jsp n GLY 80 N 0.23 -0.52 2.32 0.83 0.00 -1.26 -4.89 105.19 101.90 2jsp n GLY 80 Ca -0.08 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2jsp n GLY 80 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jsp n GLN 81 N -4.85 3.71 -3.62 1.61 7.27 -1.26 -4.74 117.38 115.49 2jsp n GLN 81 Ca -0.02 -2.32 -0.05 0.00 0.07 0.00 0.00 57.00 54.68 2jsp n GLN 81 Cb 0.57 -2.70 -0.05 0.00 2.41 0.00 0.00 30.24 30.47 2jsp n GLN 81 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2jsp s ARG 82 N 1.48 0.26 -0.20 3.69 3.52 -1.26 -5.15 118.95 121.29 2jsp s ARG 82 Ca 0.67 0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 2jsp s ARG 82 Cb 0.19 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 2jsp s ARG 82 CO -0.06 -0.07 -0.02 0.50 -0.81 0.00 0.00 175.30 174.83 2jsp s ARG 83 N -0.87 3.54 0.20 5.12 3.52 -1.26 -5.11 118.95 124.09 2jsp s ARG 83 Ca 0.05 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.15 2jsp s ARG 83 Cb -0.01 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2jsp s ARG 83 CO -0.06 -0.01 0.15 -1.59 -0.81 0.00 0.00 175.30 172.98 2jsp s LYS 84 N 1.03 2.86 0.52 5.12 0.00 -1.26 -5.15 119.74 122.86 2jsp s LYS 84 Ca 0.01 -0.98 0.05 0.00 0.00 0.00 0.00 55.97 55.05 2jsp s LYS 84 Cb -0.14 -2.58 0.01 0.00 0.00 0.00 0.00 37.83 35.12 2jsp s LYS 84 CO 0.01 0.44 0.30 0.00 0.00 0.00 0.00 175.35 176.10 2jsp s ALA 85 N -1.93 4.25 -0.37 0.59 0.00 -1.26 -5.06 121.76 117.98 2jsp s ALA 85 Ca 0.32 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 2jsp s ALA 85 Cb -0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 2jsp s ALA 85 CO 0.24 -0.32 2.29 1.21 0.00 0.00 0.00 175.76 179.18 2jsp s ASN 86 N -4.15 4.94 0.00 0.00 2.47 -1.26 -5.35 114.94 111.59 2jsp s ASN 86 Ca 0.30 1.41 0.00 0.00 0.42 0.00 0.00 52.86 54.99 2jsp s ASN 86 Cb -0.01 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2jsp s ASN 86 CO 0.18 -2.43 0.00 -1.14 -3.72 0.00 0.00 177.10 169.99