#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 0.77 0.20 0.00 -7.23 -1.26 -5.04 120.40 107.84 2jsp s VAL 2 Ca 0.00 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2jsp s VAL 2 Cb 0.00 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.96 2jsp s VAL 2 CO 0.00 -0.43 0.00 -3.20 -0.31 0.00 0.00 175.10 171.16 2jsp n ASN 3 N 1.08 -8.54 0.00 4.85 5.15 -1.26 -5.06 115.26 111.47 2jsp n ASN 3 Ca -0.20 1.29 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 2jsp n ASN 3 Cb 0.56 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 2jsp n ASN 3 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2jsp n VAL 4 N 1.75 0.00 -2.80 3.44 3.14 -1.26 -5.05 118.33 117.55 2jsp n VAL 4 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2jsp n VAL 4 Cb 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 32.81 2jsp n VAL 4 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2jsp n GLU 5 N 0.00 0.68 0.03 1.45 0.28 -1.26 -4.98 120.64 116.84 2jsp n GLU 5 Ca 0.00 -1.96 0.00 0.00 -0.16 0.00 0.00 57.16 55.04 2jsp n GLU 5 Cb 0.00 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.41 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 2.07 0.00 -1.40 3.44 3.00 -1.26 -5.11 118.16 118.91 2jsp n LYS 6 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.24 2jsp n LYS 6 Cb 0.60 0.00 -0.21 0.00 0.00 0.00 0.00 35.03 35.42 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 -2.83 0.00 -4.01 1.64 3.00 -1.26 -4.53 117.38 109.40 2jsp n GLN 7 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2jsp n GLN 7 Cb 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 30.24 29.16 2jsp n GLN 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2jsp s LYS 8 N 6.52 1.53 -0.34 -1.09 2.36 -0.31 -4.98 119.74 123.43 2jsp s LYS 8 Ca 1.22 -1.93 -0.28 0.00 -2.55 0.00 0.00 55.97 52.43 2jsp s LYS 8 Cb -0.78 -3.23 -0.03 0.00 -1.05 0.00 0.00 37.83 32.74 2jsp s LYS 8 CO 0.52 -0.96 1.90 -1.25 1.55 0.00 0.00 175.35 177.12 2jsp s PRO 9 N 0.82 3.19 -1.51 4.03 0.04 -1.26 -1.74 135.00 138.57 2jsp s PRO 9 Ca 0.11 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.52 2jsp s PRO 9 Cb -0.20 -4.26 -0.08 0.00 0.04 0.00 0.00 34.50 30.01 2jsp s PRO 9 CO -0.07 -2.03 2.80 0.00 0.04 0.00 0.00 177.00 177.74 2jsp n ALA 10 N 10.96 7.05 -1.13 8.56 0.00 -1.26 -4.90 120.51 139.78 2jsp n ALA 10 Ca 0.24 -3.33 0.08 0.00 0.00 0.00 0.00 53.44 50.43 2jsp n ALA 10 Cb 0.47 -3.34 -0.02 0.00 0.00 0.00 0.00 19.45 16.57 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 3.76 0.00 -1.62 0.00 0.31 -1.26 -4.84 118.33 114.69 2jsp n VAL 11 Ca 0.73 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.75 2jsp n VAL 11 Cb 0.23 -0.20 0.07 0.00 -0.91 0.00 0.00 33.84 33.03 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 -5.21 4.99 0.58 4.52 0.15 -1.26 -5.09 113.70 112.39 2jsp s SER 12 Ca 0.00 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2jsp s SER 12 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2jsp s SER 12 CO 0.00 -1.66 0.00 0.55 1.20 0.00 0.00 173.24 173.33 2jsp n VAL 13 N -3.24 0.00 0.00 4.45 3.14 -1.26 -4.30 118.33 117.12 2jsp n VAL 13 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2jsp n VAL 13 Cb 0.55 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 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 -1.07 0.00 -1.27 1.45 0.00 -1.26 -4.41 116.66 110.10 2jsp n ARG 14 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 2jsp n ARG 14 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 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 2.21 0.08 -0.14 3.00 -1.26 -4.14 118.16 117.90 2jsp n LYS 15 Ca 0.00 -2.13 -0.07 0.00 -0.00 0.00 0.00 58.31 56.11 2jsp n LYS 15 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 35.03 33.00 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 2.40 0.07 -3.09 3.14 0.02 -1.77 -3.46 113.55 110.86 2jsp h SER 16 Ca 0.37 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.72 2jsp h SER 16 Cb 0.78 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2jsp h SER 16 CO 0.88 0.97 0.67 -0.69 -1.14 0.00 0.00 176.83 177.52 2jsp s VAL 17 N -2.91 3.98 0.05 2.27 1.01 -1.26 -2.76 120.40 120.79 2jsp s VAL 17 Ca -0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2jsp s VAL 17 Cb 0.10 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2jsp s VAL 17 CO 0.82 0.05 0.01 0.00 0.00 0.00 0.00 175.10 175.98 2jsp n GLN 18 N 4.59 1.21 -1.93 2.72 1.13 -0.62 -5.03 117.38 119.45 2jsp n GLN 18 Ca 0.11 -0.43 -0.24 0.00 -1.94 0.00 0.00 57.00 54.50 2jsp n GLN 18 Cb 0.45 0.19 -0.07 0.00 0.11 0.00 0.00 30.24 30.93 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jsp s ASP 19 N -1.32 4.67 -1.53 1.08 1.11 -1.26 -3.54 116.67 115.89 2jsp s ASP 19 Ca 0.02 -1.01 0.00 0.00 0.18 0.00 0.00 52.55 51.74 2jsp s ASP 19 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2jsp s ASP 19 CO 0.01 -3.33 0.00 0.47 1.18 0.00 0.00 175.17 173.50 2jsp n ASP 20 N 15.62 -4.87 -3.76 0.27 8.00 -1.26 -4.97 116.55 125.58 2jsp n ASP 20 Ca 0.43 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.95 2jsp n ASP 20 Cb 0.46 -4.15 -0.14 0.00 -0.02 0.00 0.00 41.12 37.27 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 -2.75 -0.19 -0.16 1.24 -3.43 -1.23 -4.01 115.29 104.76 2jsp s HIS 21 Ca 0.00 0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 54.73 2jsp s HIS 21 Cb 0.00 -0.04 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 2jsp s HIS 21 CO 0.00 -0.16 -0.00 -1.50 -2.00 0.00 0.00 174.74 171.08 2jsp s ILE 22 N 1.00 4.22 -0.04 -5.38 2.07 0.11 -1.59 121.20 121.59 2jsp s ILE 22 Ca -0.08 -0.24 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 2jsp s ILE 22 Cb -0.10 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.61 2jsp s ILE 22 CO -0.05 0.50 1.04 0.54 -1.91 0.00 0.00 174.94 175.05 2jsp s VAL 23 N 0.22 4.67 -0.67 4.00 0.11 -1.11 -1.98 120.40 125.65 2jsp s VAL 23 Ca -0.00 1.93 -0.27 0.00 -2.93 0.00 0.00 61.98 60.71 2jsp s VAL 23 Cb -0.13 -4.24 0.02 0.00 -1.53 0.00 0.00 36.38 30.50 2jsp s VAL 23 CO 0.02 0.08 1.37 0.00 -3.33 0.00 0.00 175.10 173.24 2jsp n LEU 25 N 9.73 3.81 0.00 0.00 7.99 -1.26 0.52 117.00 137.78 2jsp n LEU 25 Ca 0.08 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.22 2jsp n LEU 25 Cb 0.49 -1.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 2jsp n LEU 25 CO 0.71 -0.60 0.00 1.21 -1.51 0.00 0.00 177.39 177.20 2jsp n GLU 26 N 0.25 0.00 0.04 3.23 2.13 -0.71 -4.54 120.64 121.05 2jsp n GLU 26 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2jsp n GLU 26 Cb 0.38 -3.60 0.00 0.00 0.27 0.00 0.00 31.44 28.49 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 2.75 3.23 3.60 0.00 0.00 0.18 -4.68 105.19 110.27 2jsp n GLY 28 Ca 0.00 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.41 3.42 -0.02 0.00 -1.26 -4.19 105.19 102.74 2jsp n GLY 29 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.25 3.57 0.18 1.61 0.01 -1.26 -0.78 113.70 115.78 2jsp s SER 30 Ca 0.76 -0.57 -0.21 0.00 1.31 0.00 0.00 55.95 57.24 2jsp s SER 30 Cb -0.42 -0.44 0.05 0.00 0.21 0.00 0.00 66.02 65.43 2jsp s SER 30 CO 0.47 0.22 0.58 0.72 0.41 0.00 0.00 173.24 175.65 2jsp s PHE 31 N -0.98 -0.40 -0.75 2.43 -0.12 -0.84 -4.89 117.98 112.42 2jsp s PHE 31 Ca 0.15 0.13 0.15 0.00 -0.05 0.00 0.00 56.93 57.30 2jsp s PHE 31 Cb -0.10 0.53 0.66 0.00 -0.63 0.00 0.00 43.02 43.47 2jsp s PHE 31 CO 0.06 -0.89 1.46 0.36 -0.05 0.00 0.00 175.22 176.15 2jsp n LYS 32 N -0.37 0.07 -3.67 1.99 2.85 -1.26 0.05 118.16 117.83 2jsp n LYS 32 Ca -0.14 0.40 -0.13 0.00 -1.05 0.00 0.00 58.31 57.39 2jsp n LYS 32 Cb 0.64 -1.66 -0.08 0.00 -0.65 0.00 0.00 35.03 33.28 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 -3.47 -0.65 -0.22 -5.58 1.04 -1.26 -1.02 113.70 102.54 2jsp s SER 33 Ca 0.03 1.23 0.13 0.00 0.48 0.00 0.00 55.95 57.82 2jsp s SER 33 Cb 0.07 1.23 -0.22 0.00 0.10 0.00 0.00 66.02 67.19 2jsp s SER 33 CO 0.23 -0.21 -0.02 -0.11 0.98 0.00 0.00 173.24 174.11 2jsp n LEU 34 N 2.96 0.98 -0.37 2.42 0.00 0.32 -4.64 117.00 118.67 2jsp n LEU 34 Ca -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 56.01 55.79 2jsp n LEU 34 Cb 0.56 0.03 0.01 0.00 0.00 0.00 0.00 43.42 44.03 2jsp n LEU 34 CO 0.06 0.64 0.53 1.17 0.00 0.00 0.00 177.39 179.79 2jsp n LYS 35 N -2.92 -0.26 0.07 1.96 4.81 0.68 0.35 118.16 122.86 2jsp n LYS 35 Ca -0.37 1.44 -0.03 0.00 -0.87 0.00 0.00 58.31 58.48 2jsp n LYS 35 Cb 1.10 -2.13 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 2jsp n LYS 35 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2jsp h ARG 36 N 0.00 -0.18 -0.93 1.64 1.12 -1.86 -3.00 114.38 111.18 2jsp h ARG 36 Ca 0.29 0.01 0.22 0.00 -1.11 0.00 0.00 59.98 59.39 2jsp h ARG 36 Cb 0.53 0.04 -0.17 0.00 -0.01 0.00 0.00 29.97 30.35 2jsp h ARG 36 CO -0.92 -0.12 -0.11 1.58 -3.11 0.00 0.00 179.97 177.29 2jsp n HIS 37 N -2.66 0.46 0.00 2.20 -0.00 -0.75 -0.01 115.22 114.46 2jsp n HIS 37 Ca -0.02 1.12 0.00 0.00 0.46 0.00 0.00 57.72 59.28 2jsp n HIS 37 Cb 0.07 -1.11 0.00 0.00 -0.12 0.00 0.00 29.99 28.83 2jsp n HIS 37 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2jsp n LEU 38 N -5.44 0.00 0.19 0.27 -0.00 0.16 -0.27 117.00 111.90 2jsp n LEU 38 Ca 0.18 0.89 0.14 0.00 -0.00 0.00 0.00 56.01 57.22 2jsp n LEU 38 Cb 0.58 -0.39 0.74 0.00 -0.00 0.00 0.00 43.42 44.36 2jsp n LEU 38 CO -0.09 -0.39 1.13 0.74 -0.00 0.00 0.00 177.39 178.78 2jsp h THR 39 N 0.00 0.73 0.36 1.96 2.02 -0.98 0.62 112.91 117.63 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 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jsp h THR 39 CO 0.00 0.00 -0.17 0.74 0.37 0.00 0.00 175.52 176.46 2jsp h THR 40 N 0.00 0.00 0.00 3.16 2.02 -0.32 -3.29 112.91 114.48 2jsp h THR 40 Ca 0.08 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2jsp h THR 40 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 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 -3.89 0.00 0.25 3.16 8.25 0.62 -4.35 115.22 119.26 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 0.19 -0.11 0.90 0.00 1.12 0.00 0.00 29.99 32.09 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 -0.72 4.41 -0.00 -1.61 -3.49 115.15 113.74 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 -3.44 -2.17 -0.92 2.45 7.64 0.21 -4.92 113.62 112.47 2jsp n SER 43 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2jsp n SER 43 Cb 0.31 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.41 -2.02 -2.69 1.43 2.81 -1.26 -3.27 117.12 111.71 2jsp n MET 44 Ca 0.00 1.54 -0.34 0.00 -1.81 0.00 0.00 57.70 57.09 2jsp n MET 44 Cb 0.00 -2.40 -0.05 0.00 -0.71 0.00 0.00 33.22 30.05 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 -2.99 4.09 0.23 2.03 -4.23 -1.26 -3.81 115.64 109.70 2jsp s THR 45 Ca 0.00 1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.82 2jsp s THR 45 Cb 0.00 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.43 2jsp s THR 45 CO 0.00 -0.21 1.80 1.55 -0.54 0.00 0.00 174.62 177.22 2jsp h PRO 46 N 1.99 0.68 -0.69 3.99 0.13 -1.91 -0.41 132.00 135.78 2jsp h PRO 46 Ca -0.49 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2jsp h PRO 46 Cb 1.20 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2jsp h PRO 46 CO 0.61 0.45 0.28 0.93 -0.23 0.00 0.00 178.00 180.04 2jsp h GLU 47 N 0.70 1.03 -0.54 0.86 3.07 -1.95 -1.83 114.58 115.92 2jsp h GLU 47 Ca 0.36 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2jsp h GLU 47 Cb 0.33 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2jsp h GLU 47 CO -0.24 0.85 0.02 1.49 -1.40 0.00 0.00 179.01 179.73 2jsp h GLU 48 N 0.98 0.91 -0.49 2.33 4.81 -1.76 -2.69 114.58 118.67 2jsp h GLU 48 Ca 0.23 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jsp h GLU 48 Cb 0.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2jsp h GLU 48 CO -0.02 0.89 0.23 -0.92 -0.73 0.00 0.00 179.01 178.46 2jsp h TYR 49 N 0.85 0.67 -0.84 0.92 3.20 -0.73 -2.07 116.97 118.97 2jsp h TYR 49 Ca 0.16 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2jsp h TYR 49 Cb 0.47 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2jsp h TYR 49 CO 0.03 0.50 0.54 0.07 -1.64 0.00 0.00 178.16 177.66 2jsp h ARG 50 N 0.68 0.87 -0.57 1.82 -0.00 -0.99 -2.00 114.38 114.20 2jsp h ARG 50 Ca 0.17 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.98 60.05 2jsp h ARG 50 Cb 0.07 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.97 29.82 2jsp h ARG 50 CO -0.02 0.58 0.16 1.49 -0.00 0.00 0.00 179.97 182.18 2jsp h GLU 51 N 0.90 0.86 -0.13 0.08 4.81 -1.39 0.24 114.58 119.94 2jsp h GLU 51 Ca 0.36 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2jsp h GLU 51 Cb 0.26 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2jsp h GLU 51 CO -0.13 0.76 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.48 2jsp h LYS 52 N 0.84 -0.25 -0.28 1.92 1.63 -1.32 -1.30 116.57 117.81 2jsp h LYS 52 Ca 0.19 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2jsp h LYS 52 Cb 0.27 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2jsp h LYS 52 CO -0.01 -0.17 0.00 0.91 -3.45 0.00 0.00 179.45 176.74 2jsp n TRP 53 N -5.34 0.38 -2.19 1.91 7.02 -1.04 -4.92 117.44 113.26 2jsp n TRP 53 Ca -0.03 -0.19 -0.13 0.00 -1.02 0.00 0.00 57.50 56.14 2jsp n TRP 53 Cb 0.26 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.13 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 0.44 -3.88 -4.60 -0.99 8.00 -0.10 -4.87 116.55 110.55 2jsp n ASP 54 Ca 0.13 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 2jsp n ASP 54 Cb 0.30 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 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 -5.19 3.43 0.44 0.64 1.43 0.64 -4.92 118.68 115.15 2jsp s LEU 55 Ca 0.00 1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 2jsp s LEU 55 Cb 0.00 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 2jsp s LEU 55 CO 0.00 -1.99 1.27 -0.81 0.23 0.00 0.00 176.35 175.05 2jsp n PRO 56 N 8.78 1.86 -1.77 1.29 -0.04 -1.26 -2.32 135.00 141.54 2jsp n PRO 56 Ca 0.30 0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 64.28 2jsp n PRO 56 Cb 0.45 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 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 -0.35 -0.24 -3.73 0.52 3.14 -1.26 -2.87 118.33 113.53 2jsp n VAL 57 Ca 0.07 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.18 2jsp n VAL 57 Cb 0.40 -1.63 0.01 0.00 -1.06 0.00 0.00 33.84 31.57 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 -1.07 -5.20 -3.73 6.55 5.75 -0.98 -4.85 116.55 113.02 2jsp n ASP 58 Ca -0.16 -0.93 -0.47 0.00 -0.01 0.00 0.00 54.79 53.22 2jsp n ASP 58 Cb 0.53 -2.52 -0.06 0.00 -1.03 0.00 0.00 41.12 38.04 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 -3.38 0.29 -1.81 2.11 9.36 -1.14 -4.85 117.16 117.75 2jsp n TYR 59 Ca -0.18 0.86 -0.40 0.00 3.32 0.00 0.00 57.90 61.50 2jsp n TYR 59 Cb 0.62 -1.72 0.02 0.00 -0.63 0.00 0.00 39.34 37.63 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jsp s PRO 60 N -0.22 3.65 -0.39 2.98 0.04 -1.26 -4.95 135.00 134.85 2jsp s PRO 60 Ca 0.70 2.39 0.06 0.00 0.04 0.00 0.00 61.00 64.20 2jsp s PRO 60 Cb -0.99 -2.63 0.66 0.00 0.04 0.00 0.00 34.50 31.59 2jsp s PRO 60 CO 0.47 -0.84 1.82 -1.33 0.04 0.00 0.00 177.00 177.16 2jsp n MET 61 N -0.25 2.51 -4.28 4.56 2.81 -1.26 -4.96 117.12 116.26 2jsp n MET 61 Ca 0.05 -3.05 -0.15 0.00 -1.81 0.00 0.00 57.70 52.74 2jsp n MET 61 Cb 0.42 -2.13 -0.10 0.00 -0.71 0.00 0.00 33.22 30.70 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 -3.22 0.93 0.14 2.03 1.01 -1.26 -0.23 120.40 119.81 2jsp s VAL 62 Ca 0.54 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 2jsp s VAL 62 Cb 0.46 -2.14 -0.14 0.00 0.00 0.00 0.00 36.38 34.55 2jsp s VAL 62 CO 0.10 -0.48 0.49 0.00 0.00 0.00 0.00 175.10 175.20 2jsp n ALA 63 N -0.30 -2.62 -0.29 5.51 0.00 -0.19 -4.81 120.51 117.82 2jsp n ALA 63 Ca -0.07 0.38 0.29 0.00 0.00 0.00 0.00 53.44 54.04 2jsp n ALA 63 Cb 0.63 -1.34 0.66 0.00 0.00 0.00 0.00 19.45 19.40 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 1.04 0.13 -0.57 0.00 0.13 -1.86 -0.62 132.00 130.24 2jsp h PRO 64 Ca -0.26 -0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.48 2jsp h PRO 64 Cb 1.19 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 31.88 2jsp h PRO 64 CO 0.48 0.09 -0.97 0.00 -0.23 0.00 0.00 178.00 177.37 2jsp n ALA 65 N -2.66 3.76 -0.09 -0.56 0.00 -1.26 -4.95 120.51 114.76 2jsp n ALA 65 Ca 0.24 -3.25 -0.10 0.00 0.00 0.00 0.00 53.44 50.33 2jsp n ALA 65 Cb 1.05 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 2.36 0.41 -1.87 0.00 3.20 -1.44 -3.48 116.97 116.16 2jsp h TYR 66 Ca 0.11 -0.01 0.38 0.00 3.14 0.00 0.00 58.73 62.35 2jsp h TYR 66 Cb 1.40 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.46 2jsp h TYR 66 CO 0.67 0.35 0.97 0.00 -1.64 0.00 0.00 178.16 178.51 2jsp s ALA 67 N -5.81 -2.62 0.00 1.82 0.00 -1.26 -5.08 121.76 108.81 2jsp s ALA 67 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2jsp s ALA 67 Cb 0.09 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2jsp s ALA 67 CO 0.72 -1.15 0.00 0.39 0.00 0.00 0.00 175.76 175.72 2jsp n GLU 68 N -0.86 0.00 -4.07 0.00 1.02 -1.26 -4.95 120.64 110.52 2jsp n GLU 68 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 2jsp n GLU 68 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.97 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 7.61 -2.04 -1.27 0.62 0.00 -1.26 -4.89 120.51 119.28 2jsp n ALA 69 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.16 2jsp n ALA 69 Cb 0.00 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 18.31 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 -4.47 1.94 -0.47 0.00 3.00 -1.26 -4.96 116.66 110.44 2jsp n ARG 70 Ca -0.31 -2.98 0.00 0.00 -0.00 0.00 0.00 57.85 54.56 2jsp n ARG 70 Cb 0.69 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.43 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 -1.04 -2.78 -2.90 6.15 2.88 -1.26 -4.73 113.62 109.94 2jsp n SER 71 Ca 0.24 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.64 2jsp n SER 71 Cb 0.85 -1.92 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 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 0.44 0.76 -0.00 -1.46 0.63 -1.26 -5.00 116.66 110.78 2jsp n ARG 72 Ca 0.00 -2.25 -0.00 0.00 -0.92 0.00 0.00 57.85 54.67 2jsp n ARG 72 Cb 0.23 -1.38 -0.00 0.00 0.45 0.00 0.00 32.46 31.77 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2jsp n LEU 73 N 1.53 0.07 -1.39 6.15 -0.00 -1.26 -5.05 117.00 117.05 2jsp n LEU 73 Ca 0.13 0.01 0.17 0.00 -0.00 0.00 0.00 56.01 56.32 2jsp n LEU 73 Cb 0.60 -0.20 -0.09 0.00 -0.00 0.00 0.00 43.42 43.73 2jsp n LEU 73 CO 0.09 -0.50 -0.61 0.00 -0.00 0.00 0.00 177.39 176.36 2jsp n ALA 74 N -2.57 -3.66 -3.27 1.96 0.00 -1.26 -4.99 120.51 106.71 2jsp n ALA 74 Ca -0.00 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.19 2jsp n ALA 74 Cb 0.01 -1.52 0.01 0.00 0.00 0.00 0.00 19.45 17.94 2jsp n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jsp n LYS 75 N -4.26 -1.74 -3.27 0.00 4.01 -1.26 -5.01 118.16 106.63 2jsp n LYS 75 Ca -0.09 1.45 -0.06 0.00 -0.51 0.00 0.00 58.31 59.10 2jsp n LYS 75 Cb 0.66 -4.22 -0.04 0.00 -0.51 0.00 0.00 35.03 30.92 2jsp n LYS 75 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2jsp s GLU 76 N -3.30 0.69 -0.51 1.97 2.56 -1.26 -5.04 118.70 113.81 2jsp s GLU 76 Ca 0.13 -0.38 0.07 0.00 0.00 0.00 0.00 54.97 54.78 2jsp s GLU 76 Cb -0.02 -0.24 0.21 0.00 2.00 0.00 0.00 34.13 36.08 2jsp s GLU 76 CO 0.81 -1.17 0.79 -0.12 -0.56 0.00 0.00 175.26 175.02 2jsp n MET 77 N 4.53 0.63 0.00 4.30 1.56 -1.26 -5.14 117.12 121.74 2jsp n MET 77 Ca 0.09 -1.92 0.00 0.00 -0.27 0.00 0.00 57.70 55.60 2jsp n MET 77 Cb 0.52 -1.47 0.00 0.00 2.15 0.00 0.00 33.22 34.42 2jsp n MET 77 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2jsp n GLY 78 N 2.44 2.22 3.66 -5.12 0.00 -1.26 -4.29 105.19 102.84 2jsp n GLY 78 Ca 0.15 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 4.14 0.50 0.99 1.02 -1.26 -4.98 118.68 119.10 2jsp s LEU 79 Ca 0.00 0.71 0.23 0.00 0.02 0.00 0.00 54.13 55.09 2jsp s LEU 79 Cb 0.00 -2.75 1.30 0.00 0.02 0.00 0.00 46.19 44.76 2jsp s LEU 79 CO 0.00 -0.21 1.97 1.23 0.02 0.00 0.00 176.35 179.36 2jsp h GLY 80 N 8.02 0.20 -5.72 -3.19 0.00 -2.04 -3.40 103.07 96.95 2jsp h GLY 80 Ca -0.33 -0.05 -0.31 0.00 0.00 0.00 0.00 47.33 46.64 2jsp h GLY 80 CO 0.75 0.02 -0.75 1.62 0.00 0.00 0.00 176.54 178.18 2jsp s GLN 81 N -5.13 0.31 -0.18 4.80 0.74 -1.26 -5.16 119.66 113.79 2jsp s GLN 81 Ca -0.06 -0.07 -0.28 0.00 0.05 0.00 0.00 55.36 55.00 2jsp s GLN 81 Cb 0.20 -0.35 0.08 0.00 1.10 0.00 0.00 33.01 34.03 2jsp s GLN 81 CO 0.74 0.01 0.73 -0.98 -0.55 0.00 0.00 175.29 175.25 2jsp s ARG 82 N 0.25 0.90 0.00 1.67 1.04 -1.26 -5.09 118.95 116.45 2jsp s ARG 82 Ca -0.02 0.63 0.00 0.00 -1.04 0.00 0.00 55.73 55.30 2jsp s ARG 82 Cb -0.05 0.43 0.00 0.00 -2.04 0.00 0.00 34.95 33.29 2jsp s ARG 82 CO -0.01 -0.20 0.00 0.54 -0.04 0.00 0.00 175.30 175.60 2jsp n ARG 83 N 1.84 0.00 -2.98 3.89 1.74 -1.26 -5.12 116.66 114.77 2jsp n ARG 83 Ca -0.16 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.82 2jsp n ARG 83 Cb 0.56 -0.52 0.01 0.00 -1.02 0.00 0.00 32.46 31.49 2jsp n ARG 83 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jsp n LYS 84 N -2.72 -2.35 -0.08 5.56 5.02 -1.26 -5.04 118.16 117.30 2jsp n LYS 84 Ca 0.00 2.01 -0.14 0.00 -2.02 0.00 0.00 58.31 58.17 2jsp n LYS 84 Cb 0.39 -4.31 -0.06 0.00 -0.02 0.00 0.00 35.03 31.02 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jsp n ALA 85 N 0.21 1.80 -1.64 7.82 0.00 -1.26 -5.00 120.51 122.44 2jsp n ALA 85 Ca 0.03 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 2jsp n ALA 85 Cb 0.38 0.21 0.03 0.00 0.00 0.00 0.00 19.45 20.07 2jsp n ALA 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jsp s ASN 86 N -5.90 5.34 0.00 0.00 3.84 -1.26 -5.38 114.94 111.58 2jsp s ASN 86 Ca -0.21 2.12 0.00 0.00 0.21 0.00 0.00 52.86 54.98 2jsp s ASN 86 Cb 0.07 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2jsp s ASN 86 CO 0.32 -1.47 0.33 -2.11 -2.79 0.00 0.00 177.10 171.38