#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 -0.07 0.00 3.14 -1.26 -5.03 118.33 115.11 2jsp n VAL 2 Ca 0.00 -1.13 -0.02 0.00 -2.96 0.00 0.00 64.34 60.23 2jsp n VAL 2 Cb 0.00 0.84 0.01 0.00 -1.06 0.00 0.00 33.84 33.62 2jsp n VAL 2 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2jsp n ASN 3 N -0.60 4.66 -0.27 6.55 6.94 -1.26 -4.51 115.26 126.76 2jsp n ASN 3 Ca -0.13 -2.37 -0.05 0.00 -0.02 0.00 0.00 54.58 52.02 2jsp n ASN 3 Cb 0.77 -0.91 0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 0.68 1.21 -0.74 3.53 3.04 -1.96 -3.38 116.25 118.62 2jsp h VAL 4 Ca 0.04 -0.42 -0.12 0.00 -1.01 0.00 0.00 66.70 65.19 2jsp h VAL 4 Cb 1.04 0.13 -0.16 0.00 -2.01 0.00 0.00 31.29 30.29 2jsp h VAL 4 CO 0.10 0.21 -0.41 -1.84 -1.01 0.00 0.00 177.57 174.62 2jsp n GLU 5 N -4.53 0.46 0.00 4.17 0.28 -1.26 -5.06 120.64 114.70 2jsp n GLU 5 Ca 0.07 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 2jsp n GLU 5 Cb 0.04 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 31.79 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jsp n LYS 6 N 2.75 0.00 0.00 3.44 4.81 -1.26 -5.08 118.16 122.82 2jsp n LYS 6 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2jsp n LYS 6 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2jsp n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jsp n GLN 7 N 0.00 0.00 -2.50 1.64 10.64 -1.26 -5.10 117.38 120.80 2jsp n GLN 7 Ca 0.00 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.14 2jsp n GLN 7 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2jsp n GLN 7 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2jsp n LYS 8 N 0.00 -2.28 -2.36 2.61 3.00 -1.26 -1.88 118.16 115.98 2jsp n LYS 8 Ca 0.00 2.02 -0.43 0.00 -0.00 0.00 0.00 58.31 59.90 2jsp n LYS 8 Cb 0.00 -4.60 -0.02 0.00 0.00 0.00 0.00 35.03 30.41 2jsp n LYS 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jsp s PRO 9 N -1.79 3.57 0.00 1.64 0.04 -1.26 -2.86 135.00 134.34 2jsp s PRO 9 Ca 0.10 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.00 2jsp s PRO 9 Cb -0.03 -4.03 -0.15 0.00 0.04 0.00 0.00 34.50 30.34 2jsp s PRO 9 CO 0.61 -1.58 2.42 0.00 0.04 0.00 0.00 177.00 178.49 2jsp n ALA 10 N 8.82 4.44 -0.89 8.56 0.00 -1.26 -4.93 120.51 135.25 2jsp n ALA 10 Ca 0.16 -1.02 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2jsp n ALA 10 Cb 0.48 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 2jsp n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsp n VAL 11 N 2.45 0.00 -2.72 0.00 0.31 -1.26 -4.76 118.33 112.35 2jsp n VAL 11 Ca 0.24 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.17 2jsp n VAL 11 Cb 0.58 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jsp s SER 12 N -4.33 7.60 0.00 4.52 0.15 -1.26 -5.02 113.70 115.36 2jsp s SER 12 Ca 0.00 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.62 2jsp s SER 12 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2jsp s SER 12 CO 0.00 0.12 0.00 0.55 1.20 0.00 0.00 173.24 175.11 2jsp n VAL 13 N 1.41 0.00 0.00 4.45 3.14 -1.26 -4.36 118.33 121.71 2jsp n VAL 13 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2jsp n VAL 13 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 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 -0.21 0.00 -2.59 1.45 0.63 -1.26 -0.05 116.66 114.63 2jsp n ARG 14 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 2jsp n ARG 14 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 2jsp n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2jsp n LYS 15 N 0.00 4.67 -0.28 -0.14 4.01 -1.26 -4.71 118.16 120.45 2jsp n LYS 15 Ca 0.00 -4.54 0.04 0.00 -0.51 0.00 0.00 58.31 53.29 2jsp n LYS 15 Cb 0.00 -2.40 0.25 0.00 -0.51 0.00 0.00 35.03 32.37 2jsp n LYS 15 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2jsp h SER 16 N 3.79 0.87 -3.47 4.39 0.87 -0.76 -3.39 113.55 115.86 2jsp h SER 16 Ca 0.47 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.50 2jsp h SER 16 Cb 0.33 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2jsp h SER 16 CO 1.15 0.57 0.32 -0.69 -0.53 0.00 0.00 176.83 177.65 2jsp s VAL 17 N -5.87 4.72 0.00 2.23 1.01 -1.26 -1.74 120.40 119.49 2jsp s VAL 17 Ca -0.11 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.83 2jsp s VAL 17 Cb 0.20 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2jsp s VAL 17 CO 0.79 0.25 0.00 0.00 0.00 0.00 0.00 175.10 176.15 2jsp n GLN 18 N 3.32 3.12 -1.94 2.72 6.02 0.51 -4.99 117.38 126.13 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 0.50 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.69 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 1.00 4.61 -1.28 1.08 1.11 -1.26 -3.64 116.67 118.29 2jsp s ASP 19 Ca 0.00 -1.43 0.00 0.00 0.18 0.00 0.00 52.55 51.30 2jsp s ASP 19 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2jsp s ASP 19 CO 0.00 -3.51 0.00 0.47 1.18 0.00 0.00 175.17 173.31 2jsp n ASP 20 N 15.79 -4.44 -3.68 0.27 8.00 -1.26 -4.97 116.55 126.26 2jsp n ASP 20 Ca 0.44 0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.92 2jsp n ASP 20 Cb 0.47 -3.76 -0.16 0.00 -0.02 0.00 0.00 41.12 37.64 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 -2.71 -0.11 -0.13 1.24 -3.43 -1.24 -3.63 115.29 105.28 2jsp s HIS 21 Ca 0.00 0.49 -0.15 0.00 -0.80 0.00 0.00 55.06 54.60 2jsp s HIS 21 Cb 0.00 -0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 2jsp s HIS 21 CO 0.00 -0.23 0.37 -1.50 -2.00 0.00 0.00 174.74 171.38 2jsp s ILE 22 N 2.06 5.24 -0.02 -5.38 2.07 0.12 -0.36 121.20 124.92 2jsp s ILE 22 Ca 0.01 0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 59.67 2jsp s ILE 22 Cb -0.12 -3.70 -0.03 0.00 0.13 0.00 0.00 42.46 38.74 2jsp s ILE 22 CO -0.05 0.38 0.99 0.54 -1.91 0.00 0.00 174.94 174.89 2jsp s VAL 23 N 0.39 4.84 -0.80 4.00 0.11 -0.71 -1.89 120.40 126.34 2jsp s VAL 23 Ca 0.21 2.05 -0.26 0.00 -2.93 0.00 0.00 61.98 61.05 2jsp s VAL 23 Cb -0.14 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.41 2jsp s VAL 23 CO 0.07 0.12 1.48 0.00 -3.33 0.00 0.00 175.10 173.44 2jsp n LEU 25 N 10.24 2.90 -2.27 0.00 7.99 -1.26 0.13 117.00 134.73 2jsp n LEU 25 Ca 0.17 1.15 -0.20 0.00 -0.01 0.00 0.00 56.01 57.12 2jsp n LEU 25 Cb 0.50 -1.40 -0.02 0.00 -0.11 0.00 0.00 43.42 42.38 2jsp n LEU 25 CO 0.69 -0.98 -0.25 1.21 -1.51 0.00 0.00 177.39 176.55 2jsp n GLU 26 N 0.45 -1.68 0.11 3.23 2.13 -1.13 -4.59 120.64 119.15 2jsp n GLU 26 Ca 0.07 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.91 2jsp n GLU 26 Cb 0.36 -5.63 0.00 0.00 0.27 0.00 0.00 31.44 26.44 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 -0.31 3.11 3.70 0.00 0.00 0.12 -4.35 105.19 107.45 2jsp n GLY 28 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 0.28 3.36 -0.02 0.00 -1.26 -4.40 105.19 103.15 2jsp n GLY 29 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.49 3.22 0.15 1.61 0.01 -1.26 -0.65 113.70 115.29 2jsp s SER 30 Ca 0.80 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 57.21 2jsp s SER 30 Cb -0.37 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 65.65 2jsp s SER 30 CO 0.43 0.23 0.55 0.72 0.41 0.00 0.00 173.24 175.59 2jsp s PHE 31 N -0.88 -0.46 -1.39 2.43 -0.12 -0.79 -4.91 117.98 111.85 2jsp s PHE 31 Ca 0.12 0.22 0.11 0.00 -0.05 0.00 0.00 56.93 57.34 2jsp s PHE 31 Cb -0.10 0.48 0.56 0.00 -0.63 0.00 0.00 43.02 43.33 2jsp s PHE 31 CO 0.03 -0.81 1.27 0.36 -0.05 0.00 0.00 175.22 176.02 2jsp n LYS 32 N -0.34 0.15 -3.33 1.99 2.85 -1.24 0.11 118.16 118.36 2jsp n LYS 32 Ca -0.17 0.19 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2jsp n LYS 32 Cb 0.65 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.46 2jsp n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2jsp s SER 33 N -2.61 0.59 0.19 -5.58 1.04 -1.26 -1.61 113.70 104.46 2jsp s SER 33 Ca 0.10 -1.29 -0.09 0.00 0.48 0.00 0.00 55.95 55.15 2jsp s SER 33 Cb 0.08 0.88 0.09 0.00 0.10 0.00 0.00 66.02 67.16 2jsp s SER 33 CO 0.17 -0.26 1.68 0.25 0.98 0.00 0.00 173.24 176.07 2jsp h LEU 34 N 7.19 1.07 -1.61 2.42 5.85 -1.35 -3.13 115.31 125.74 2jsp h LEU 34 Ca 0.03 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.57 2jsp h LEU 34 Cb 1.09 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2jsp h LEU 34 CO 0.19 1.06 0.40 0.50 -0.34 0.00 0.00 178.44 180.26 2jsp h LYS 35 N 1.03 0.43 0.00 1.25 3.64 -0.31 0.77 116.57 123.39 2jsp h LYS 35 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2jsp h LYS 35 Cb 0.46 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2jsp h LYS 35 CO 0.02 0.29 0.00 0.54 -2.27 0.00 0.00 179.45 178.02 2jsp n ARG 36 N -4.47 0.00 -0.24 1.90 1.74 -1.20 -3.16 116.66 111.22 2jsp n ARG 36 Ca 0.10 0.17 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 2jsp n ARG 36 Cb 0.34 -1.02 0.13 0.00 -1.02 0.00 0.00 32.46 30.89 2jsp n ARG 36 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2jsp h HIS 37 N 0.00 -0.12 0.00 -1.55 2.76 -1.35 0.16 115.15 115.05 2jsp h HIS 37 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2jsp h HIS 37 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2jsp h HIS 37 CO 0.05 -0.24 0.00 -0.11 -1.30 0.00 0.00 177.93 176.33 2jsp n LEU 38 N -5.36 0.00 0.04 0.26 -0.00 0.26 -0.15 117.00 112.04 2jsp n LEU 38 Ca 0.12 0.94 0.18 0.00 -0.00 0.00 0.00 56.01 57.25 2jsp n LEU 38 Cb 0.43 -0.44 0.68 0.00 -0.00 0.00 0.00 43.42 44.09 2jsp n LEU 38 CO 0.05 -0.44 1.17 0.74 -0.00 0.00 0.00 177.39 178.91 2jsp h THR 39 N 0.00 0.78 0.46 1.96 2.02 -1.24 0.75 112.91 117.63 2jsp h THR 39 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2jsp h THR 39 Cb 0.00 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2jsp h THR 39 CO 0.00 0.00 -0.22 0.74 0.37 0.00 0.00 175.52 176.41 2jsp h THR 40 N 0.01 0.00 0.00 3.16 2.02 -0.54 -3.29 112.91 114.27 2jsp h THR 40 Ca 0.22 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2jsp h THR 40 Cb 0.86 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 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 -4.42 0.00 0.20 3.16 8.25 0.78 -4.40 115.22 118.80 2jsp n HIS 41 Ca -0.08 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.56 2jsp n HIS 41 Cb 0.24 -0.05 0.83 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.80 4.41 -0.00 -1.61 -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 0.43 -0.00 0.00 0.00 177.93 178.36 2jsp n SER 43 N -3.63 -2.39 -0.71 2.45 7.64 0.26 -4.92 113.62 112.32 2jsp n SER 43 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.99 2jsp n SER 43 Cb 0.38 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.38 -1.64 -2.25 1.43 2.81 -1.26 -3.51 117.12 112.32 2jsp n MET 44 Ca 0.00 1.32 -0.35 0.00 -1.81 0.00 0.00 57.70 56.86 2jsp n MET 44 Cb 0.00 -1.92 0.00 0.00 -0.71 0.00 0.00 33.22 30.59 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 -3.47 3.13 0.23 2.03 -4.23 -1.26 -3.97 115.64 108.10 2jsp s THR 45 Ca 0.00 0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 2jsp s THR 45 Cb 0.00 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.74 2jsp s THR 45 CO 0.00 -0.15 1.76 1.55 -0.54 0.00 0.00 174.62 177.24 2jsp h PRO 46 N 1.20 0.50 -0.56 3.99 0.13 -1.93 -0.66 132.00 134.67 2jsp h PRO 46 Ca -0.50 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2jsp h PRO 46 Cb 1.26 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jsp h PRO 46 CO 0.57 0.33 0.20 0.93 -0.23 0.00 0.00 178.00 179.79 2jsp h GLU 47 N 0.51 0.85 -0.72 0.86 5.08 -1.93 -1.87 114.58 117.35 2jsp h GLU 47 Ca 0.36 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2jsp h GLU 47 Cb 0.45 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2jsp h GLU 47 CO -0.32 0.76 0.47 1.49 -1.00 0.00 0.00 179.01 180.41 2jsp h GLU 48 N 0.77 0.92 -0.97 2.33 4.57 -1.73 -2.54 114.58 117.93 2jsp h GLU 48 Ca 0.18 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2jsp h GLU 48 Cb 0.25 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 2jsp h GLU 48 CO -0.01 0.61 0.64 -0.92 -1.18 0.00 0.00 179.01 178.15 2jsp h TYR 49 N 0.95 1.21 -0.93 0.92 3.20 -0.95 -2.07 116.97 119.30 2jsp h TYR 49 Ca 0.27 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.27 2jsp h TYR 49 Cb -0.07 -0.41 -0.07 0.00 1.54 0.00 0.00 36.73 37.73 2jsp h TYR 49 CO -0.03 0.75 0.60 0.07 -1.64 0.00 0.00 178.16 177.91 2jsp h ARG 50 N 1.30 0.93 -0.70 1.82 -0.00 -0.90 -1.88 114.38 114.94 2jsp h ARG 50 Ca 0.36 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.98 60.26 2jsp h ARG 50 Cb -0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.97 29.60 2jsp h ARG 50 CO -0.08 0.61 0.33 1.49 -0.00 0.00 0.00 179.97 182.32 2jsp h GLU 51 N 0.96 1.00 -0.28 0.08 4.81 -1.35 0.15 114.58 119.96 2jsp h GLU 51 Ca 0.43 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 2jsp h GLU 51 Cb 0.38 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 2jsp h GLU 51 CO -0.19 0.78 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.49 2jsp h LYS 52 N 1.00 -0.12 -0.59 1.92 1.63 -1.33 -0.54 116.57 118.54 2jsp h LYS 52 Ca 0.24 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2jsp h LYS 52 Cb 0.11 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2jsp h LYS 52 CO -0.03 -0.08 0.00 0.91 -3.45 0.00 0.00 179.45 176.80 2jsp n TRP 53 N -5.32 0.88 -2.68 1.91 7.02 -1.08 -4.94 117.44 113.22 2jsp n TRP 53 Ca -0.00 -0.41 -0.15 0.00 -1.02 0.00 0.00 57.50 55.92 2jsp n TRP 53 Cb 0.24 -0.06 -0.00 0.00 -2.42 0.00 0.00 31.31 29.07 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 1.09 -4.03 -4.54 -0.99 8.00 -0.15 -4.88 116.55 111.04 2jsp n ASP 54 Ca 0.19 0.03 -0.45 0.00 0.71 0.00 0.00 54.79 55.28 2jsp n ASP 54 Cb 0.55 -3.39 -0.05 0.00 -0.02 0.00 0.00 41.12 38.22 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 -3.09 2.74 -4.69 0.64 4.77 0.36 -4.92 117.00 112.81 2jsp n LEU 55 Ca -0.12 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 2jsp n LEU 55 Cb 0.60 -1.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.28 2jsp n LEU 55 CO 0.27 -0.81 0.79 -0.81 -1.33 0.00 0.00 177.39 175.50 2jsp n PRO 56 N 8.62 1.24 -1.41 3.23 -0.04 -1.26 -2.22 135.00 143.15 2jsp n PRO 56 Ca 0.35 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 64.14 2jsp n PRO 56 Cb 0.38 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 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 -1.48 0.00 -3.98 0.52 3.14 -1.26 -2.78 118.33 112.49 2jsp n VAL 57 Ca 0.13 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.17 2jsp n VAL 57 Cb 0.46 -1.36 -0.01 0.00 -1.06 0.00 0.00 33.84 31.88 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 -0.62 -2.39 -3.97 6.55 5.75 -0.94 -4.79 116.55 116.14 2jsp n ASP 58 Ca -0.14 -1.14 -0.53 0.00 -0.01 0.00 0.00 54.79 52.97 2jsp n ASP 58 Cb 0.47 -2.51 -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 -4.56 0.67 -1.76 2.11 9.36 -1.12 -4.83 117.16 117.04 2jsp n TYR 59 Ca -0.21 0.94 -0.40 0.00 3.32 0.00 0.00 57.90 61.55 2jsp n TYR 59 Cb 0.63 -1.84 0.02 0.00 -0.63 0.00 0.00 39.34 37.51 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 1.56 2.25 -0.82 2.98 -0.04 -1.26 -4.92 135.00 134.74 2jsp n PRO 60 Ca 0.19 0.80 -0.09 0.00 -0.04 0.00 0.00 63.50 64.35 2jsp n PRO 60 Cb 0.06 -2.61 0.20 0.00 -0.04 0.00 0.00 33.50 31.10 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 -0.14 2.67 -4.26 0.54 2.81 -1.26 -4.93 117.12 112.54 2jsp n MET 61 Ca 0.05 -2.28 -0.16 0.00 -1.81 0.00 0.00 57.70 53.50 2jsp n MET 61 Cb 0.41 -1.95 -0.10 0.00 -0.71 0.00 0.00 33.22 30.87 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 -2.40 1.33 0.24 2.03 1.01 -1.26 0.53 120.40 121.88 2jsp s VAL 62 Ca 0.42 -1.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.21 2jsp s VAL 62 Cb 0.34 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.82 2jsp s VAL 62 CO 0.10 -0.59 0.34 0.00 0.00 0.00 0.00 175.10 174.94 2jsp n ALA 63 N 0.06 -2.72 -0.36 5.51 0.00 -0.63 -4.84 120.51 117.53 2jsp n ALA 63 Ca -0.12 0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.65 2jsp n ALA 63 Cb 0.59 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.74 2jsp n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jsp n PRO 64 N 0.99 -0.14 -2.79 0.00 -0.04 -1.26 -1.21 135.00 130.55 2jsp n PRO 64 Ca 0.14 1.49 -0.20 0.00 -0.04 0.00 0.00 63.50 64.89 2jsp n PRO 64 Cb 0.27 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 2jsp n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsp n ALA 65 N -3.58 3.90 0.14 0.55 0.00 -1.26 -4.92 120.51 115.32 2jsp n ALA 65 Ca 0.13 -3.91 -0.08 0.00 0.00 0.00 0.00 53.44 49.58 2jsp n ALA 65 Cb 0.44 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 2.87 -0.60 -0.00 0.00 3.20 -1.50 -3.45 116.97 117.50 2jsp h TYR 66 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2jsp h TYR 66 Cb 0.90 0.23 -0.14 0.00 1.54 0.00 0.00 36.73 39.26 2jsp h TYR 66 CO 0.66 -0.29 -0.00 0.00 -1.64 0.00 0.00 178.16 176.89 2jsp n ALA 67 N -2.48 -4.08 0.00 1.82 0.00 -1.26 -5.09 120.51 109.41 2jsp n ALA 67 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jsp n ALA 67 Cb 0.20 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.02 2jsp n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jsp n GLU 68 N 1.99 -2.52 -3.03 0.00 4.07 -1.26 -5.08 120.64 114.82 2jsp n GLU 68 Ca 0.05 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.02 2jsp n GLU 68 Cb 0.69 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 32.09 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 0.00 -2.81 0.04 4.31 0.00 -1.26 -4.85 120.51 115.94 2jsp n ALA 69 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2jsp n ALA 69 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2jsp n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jsp n ARG 70 N 0.15 0.00 0.13 0.00 3.00 -1.26 -5.03 116.66 113.65 2jsp n ARG 70 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2jsp n ARG 70 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.85 2jsp n ARG 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jsp n SER 71 N -2.84 -2.25 -4.30 6.15 2.88 -1.26 -5.01 113.62 107.00 2jsp n SER 71 Ca 0.00 0.67 -0.45 0.00 -1.33 0.00 0.00 58.87 57.76 2jsp n SER 71 Cb 0.00 2.30 -0.03 0.00 -0.75 0.00 0.00 64.21 65.73 2jsp n SER 71 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2jsp s ARG 72 N -1.89 3.57 0.00 -1.46 0.52 -1.26 -4.98 118.95 113.45 2jsp s ARG 72 Ca 0.00 -2.62 0.00 0.00 -0.52 0.00 0.00 55.73 52.59 2jsp s ARG 72 Cb 0.00 -4.35 0.00 0.00 0.52 0.00 0.00 34.95 31.12 2jsp s ARG 72 CO 0.00 -1.27 0.00 1.47 0.02 0.00 0.00 175.30 175.52 2jsp n LEU 73 N 3.66 0.00 -4.00 2.53 -0.00 -1.26 -4.90 117.00 113.02 2jsp n LEU 73 Ca 0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.84 2jsp n LEU 73 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 2jsp n LEU 73 CO 0.35 -0.05 -0.06 0.00 -0.00 0.00 0.00 177.39 177.63 2jsp s ALA 74 N -2.00 3.50 0.54 1.47 0.00 -1.26 -5.06 121.76 118.96 2jsp s ALA 74 Ca 0.00 -3.36 -0.18 0.00 0.00 0.00 0.00 51.96 48.41 2jsp s ALA 74 Cb 0.00 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 2jsp s ALA 74 CO 0.00 -2.07 1.07 0.15 0.00 0.00 0.00 175.76 174.91 2jsp s LYS 75 N -0.39 3.48 0.08 0.00 -0.14 -1.26 -4.93 119.74 116.59 2jsp s LYS 75 Ca 0.18 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 2jsp s LYS 75 Cb -0.21 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 2jsp s LYS 75 CO -0.03 -0.70 0.00 -1.91 -0.76 0.00 0.00 175.35 171.95 2jsp n GLU 76 N -1.45 -0.49 -2.00 1.68 2.13 -1.26 -4.97 120.64 114.27 2jsp n GLU 76 Ca 0.10 0.38 -0.41 0.00 0.66 0.00 0.00 57.16 57.88 2jsp n GLU 76 Cb 0.52 -0.59 -0.02 0.00 0.27 0.00 0.00 31.44 31.62 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp s MET 77 N -2.35 4.26 0.16 5.31 0.23 -1.26 -4.97 119.30 120.68 2jsp s MET 77 Ca 0.00 2.32 -0.02 0.00 -1.03 0.00 0.00 55.69 56.97 2jsp s MET 77 Cb 0.00 -3.08 0.00 0.00 -1.53 0.00 0.00 34.83 30.22 2jsp s MET 77 CO 0.00 -0.39 1.39 0.78 -2.03 0.00 0.00 175.02 174.77 2jsp h GLY 78 N 4.44 0.40 -4.63 3.16 0.00 -1.94 -3.46 103.07 101.05 2jsp h GLY 78 Ca -0.47 -0.63 -0.46 0.00 0.00 0.00 0.00 47.33 45.77 2jsp h GLY 78 CO 0.74 0.56 -0.80 1.08 0.00 0.00 0.00 176.54 178.12 2jsp s LEU 79 N -7.79 2.20 0.00 3.11 1.43 -1.26 -5.12 118.68 111.25 2jsp s LEU 79 Ca -0.05 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2jsp s LEU 79 Cb 0.10 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2jsp s LEU 79 CO 0.84 0.03 0.13 0.61 0.23 0.00 0.00 176.35 178.19 2jsp n GLY 80 N 1.75 -1.57 3.10 -3.19 0.00 -1.26 -5.03 105.19 98.98 2jsp n GLY 80 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.26 0.58 -0.05 1.61 -0.21 -1.26 -5.07 119.66 115.00 2jsp s GLN 81 Ca 0.00 -0.88 -0.08 0.00 0.02 0.00 0.00 55.36 54.42 2jsp s GLN 81 Cb 0.00 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.25 2jsp s GLN 81 CO 0.00 -0.14 0.20 0.50 -2.12 0.00 0.00 175.29 173.74 2jsp s ARG 82 N -2.94 0.35 -0.29 2.91 6.06 -1.26 -5.14 118.95 118.64 2jsp s ARG 82 Ca -0.02 0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.28 2jsp s ARG 82 Cb 0.01 0.16 0.19 0.00 0.06 0.00 0.00 34.95 35.37 2jsp s ARG 82 CO -0.06 -0.07 0.71 1.03 -2.50 0.00 0.00 175.30 174.41 2jsp s ARG 83 N -0.43 0.46 -0.57 5.12 1.81 -1.26 -5.09 118.95 119.00 2jsp s ARG 83 Ca -0.05 0.55 0.07 0.00 -1.72 0.00 0.00 55.73 54.57 2jsp s ARG 83 Cb -0.03 0.27 0.25 0.00 -0.45 0.00 0.00 34.95 34.99 2jsp s ARG 83 CO 0.01 -0.77 0.69 1.17 -0.68 0.00 0.00 175.30 175.72 2jsp n LYS 84 N 5.37 2.04 0.00 3.54 4.81 -1.26 -5.04 118.16 127.62 2jsp n LYS 84 Ca 0.04 -4.27 0.00 0.00 -0.87 0.00 0.00 58.31 53.21 2jsp n LYS 84 Cb 0.54 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jsp n ALA 85 N 0.97 0.00 0.00 3.14 0.00 -1.26 -3.94 120.51 119.42 2jsp n ALA 85 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2jsp n ALA 85 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2jsp n ALA 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jsp n ASN 86 N 0.49 0.00 0.00 0.00 5.15 -1.26 -5.30 115.26 114.34 2jsp n ASN 86 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 2jsp n ASN 86 Cb 0.00 0.17 0.72 0.00 -0.53 0.00 0.00 39.78 40.13 2jsp n ASN 86 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52