#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 -2.87 0.00 3.14 -1.26 -4.99 118.33 112.35 2jsp n VAL 2 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 2jsp n VAL 2 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2jsp n VAL 2 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jsp n ASN 3 N -2.26 -7.76 -0.32 6.55 3.02 -1.26 -4.91 115.26 108.32 2jsp n ASN 3 Ca 0.00 0.81 0.12 0.00 -0.03 0.00 0.00 54.58 55.48 2jsp n ASN 3 Cb 0.00 -4.95 0.35 0.00 -0.61 0.00 0.00 39.78 34.57 2jsp n ASN 3 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2jsp h VAL 4 N 2.46 0.79 -1.69 2.41 3.04 -1.97 -3.28 116.25 118.01 2jsp h VAL 4 Ca -0.04 -0.26 -0.28 0.00 -1.01 0.00 0.00 66.70 65.11 2jsp h VAL 4 Cb 0.67 -0.03 -0.28 0.00 -2.01 0.00 0.00 31.29 29.65 2jsp h VAL 4 CO 0.16 0.14 -0.62 -1.83 -1.01 0.00 0.00 177.57 174.41 2jsp s GLU 5 N -5.77 0.68 0.00 4.17 -1.05 -1.26 -5.04 118.70 110.43 2jsp s GLU 5 Ca -0.11 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2jsp s GLU 5 Cb 0.23 -0.49 0.00 0.00 -0.44 0.00 0.00 34.13 33.43 2jsp s GLU 5 CO 0.80 -1.19 0.00 0.36 0.95 0.00 0.00 175.26 176.18 2jsp n LYS 6 N 4.34 0.00 -1.53 -4.83 0.00 -1.24 -4.46 118.16 110.44 2jsp n LYS 6 Ca 0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.01 2jsp n LYS 6 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.46 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 0.08 0.99 -4.03 -1.58 6.02 -1.26 -4.95 117.38 112.65 2jsp n GLN 7 Ca 0.00 0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 56.80 2jsp n GLN 7 Cb 0.00 -2.93 -0.06 0.00 1.02 0.00 0.00 30.24 28.27 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jsp s LYS 8 N 7.82 2.95 0.48 -1.09 1.02 -1.25 -4.79 119.74 124.88 2jsp s LYS 8 Ca 1.07 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 56.17 2jsp s LYS 8 Cb -0.49 -2.77 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 2jsp s LYS 8 CO 0.35 0.57 1.32 -1.25 -0.92 0.00 0.00 175.35 175.42 2jsp s PRO 9 N -2.40 3.57 -0.21 -1.68 0.04 -1.26 -1.84 135.00 131.22 2jsp s PRO 9 Ca 0.30 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 2jsp s PRO 9 Cb -0.12 -2.48 0.08 0.00 0.04 0.00 0.00 34.50 32.01 2jsp s PRO 9 CO 0.23 -0.82 2.30 0.00 0.04 0.00 0.00 177.00 178.74 2jsp n ALA 10 N -0.48 5.12 -0.82 8.56 0.00 -1.26 -4.83 120.51 126.80 2jsp n ALA 10 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2jsp n ALA 10 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.99 0.00 -3.96 0.00 0.31 -1.26 -4.60 118.33 109.81 2jsp n VAL 11 Ca 0.25 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.22 2jsp n VAL 11 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.44 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 -4.00 6.05 0.14 4.52 0.15 -1.26 -5.01 113.70 114.28 2jsp s SER 12 Ca 0.00 0.32 0.07 0.00 0.70 0.00 0.00 55.95 57.04 2jsp s SER 12 Cb 0.00 -1.95 0.48 0.00 -1.71 0.00 0.00 66.02 62.84 2jsp s SER 12 CO 0.00 0.33 0.60 0.55 1.20 0.00 0.00 173.24 175.92 2jsp n VAL 13 N 2.48 -0.16 -0.34 4.45 3.14 -1.26 -1.33 118.33 125.31 2jsp n VAL 13 Ca -0.19 0.78 0.26 0.00 -2.96 0.00 0.00 64.34 62.23 2jsp n VAL 13 Cb 0.54 -1.25 0.51 0.00 -1.06 0.00 0.00 33.84 32.57 2jsp n VAL 13 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2jsp h ARG 14 N 0.00 0.25 -0.99 1.45 3.08 -1.96 -1.08 114.38 115.14 2jsp h ARG 14 Ca 0.31 -0.02 -0.46 0.00 0.07 0.00 0.00 59.98 59.88 2jsp h ARG 14 Cb 0.81 -0.06 -0.41 0.00 0.08 0.00 0.00 29.97 30.38 2jsp h ARG 14 CO -0.30 0.17 -0.93 1.63 -1.07 0.00 0.00 179.97 179.47 2jsp n LYS 15 N -5.05 2.67 0.23 0.04 5.02 -0.44 -4.81 118.16 115.81 2jsp n LYS 15 Ca 0.33 -3.96 0.09 0.00 -2.02 0.00 0.00 58.31 52.75 2jsp n LYS 15 Cb 1.06 -1.92 0.54 0.00 -0.02 0.00 0.00 35.03 34.69 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2jsp h SER 16 N 2.57 0.00 -3.36 4.39 0.02 -1.25 -3.43 113.55 112.49 2jsp h SER 16 Ca 0.15 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.54 2jsp h SER 16 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 2jsp h SER 16 CO 0.62 0.23 0.05 -0.69 -1.14 0.00 0.00 176.83 175.90 2jsp s VAL 17 N -4.01 5.07 0.00 2.27 1.01 -1.26 -1.58 120.40 121.91 2jsp s VAL 17 Ca -0.02 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2jsp s VAL 17 Cb 0.12 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2jsp s VAL 17 CO 0.64 0.26 0.00 0.00 0.00 0.00 0.00 175.10 176.00 2jsp n GLN 18 N 3.81 2.76 -1.88 2.72 1.13 -0.17 -5.02 117.38 120.74 2jsp n GLN 18 Ca -0.02 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.81 2jsp n GLN 18 Cb 0.51 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.79 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 0.24 4.46 -1.44 1.08 1.01 -1.26 -3.42 116.67 117.35 2jsp s ASP 19 Ca 0.00 -1.07 -0.02 0.00 0.71 0.00 0.00 52.55 52.17 2jsp s ASP 19 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2jsp s ASP 19 CO 0.00 -3.59 0.19 0.47 0.21 0.00 0.00 175.17 172.46 2jsp n ASP 20 N 16.32 -5.04 -3.68 0.27 9.92 -1.26 -4.98 116.55 128.10 2jsp n ASP 20 Ca 0.43 -0.05 -0.12 0.00 -0.53 0.00 0.00 54.79 54.52 2jsp n ASP 20 Cb 0.46 -4.18 -0.12 0.00 -0.64 0.00 0.00 41.12 36.64 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2jsp s HIS 21 N -2.92 -0.51 -0.18 1.24 -3.43 -1.22 -4.19 115.29 104.08 2jsp s HIS 21 Ca 0.11 1.10 -0.14 0.00 -0.80 0.00 0.00 55.06 55.33 2jsp s HIS 21 Cb -0.05 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.14 2jsp s HIS 21 CO 0.14 -0.36 0.31 -1.50 -2.00 0.00 0.00 174.74 171.33 2jsp s ILE 22 N 2.13 5.28 0.03 -5.38 -1.16 0.94 -1.00 121.20 122.04 2jsp s ILE 22 Ca -0.03 0.55 -0.30 0.00 -0.51 0.00 0.00 60.65 60.36 2jsp s ILE 22 Cb -0.11 -3.65 -0.04 0.00 0.61 0.00 0.00 42.46 39.27 2jsp s ILE 22 CO -0.10 0.34 1.08 0.54 -2.81 0.00 0.00 174.94 173.99 2jsp s VAL 23 N 0.80 4.48 -0.34 4.00 0.11 -0.61 -2.05 120.40 126.78 2jsp s VAL 23 Ca 0.16 1.78 -0.29 0.00 -2.93 0.00 0.00 61.98 60.70 2jsp s VAL 23 Cb -0.14 -4.14 0.01 0.00 -1.53 0.00 0.00 36.38 30.58 2jsp s VAL 23 CO 0.05 0.14 1.26 0.00 -3.33 0.00 0.00 175.10 173.22 2jsp s LEU 25 N 4.45 4.37 -1.51 0.00 1.02 -1.26 -0.33 118.68 125.42 2jsp s LEU 25 Ca 0.54 2.63 0.00 0.00 0.02 0.00 0.00 54.13 57.32 2jsp s LEU 25 Cb -0.14 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.47 2jsp s LEU 25 CO 0.25 -0.81 0.00 1.21 0.02 0.00 0.00 176.35 177.01 2jsp n GLU 26 N 3.76 -1.40 0.06 1.70 4.07 -1.15 -4.74 120.64 122.94 2jsp n GLU 26 Ca 0.13 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 2jsp n GLU 26 Cb 0.39 -5.33 0.00 0.00 -0.06 0.00 0.00 31.44 26.43 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 0.41 3.08 3.65 0.00 0.00 0.55 -3.78 105.19 109.10 2jsp n GLY 28 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 0.06 3.45 -0.02 0.00 -1.26 -4.32 105.19 103.10 2jsp n GLY 29 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.74 3.65 0.18 1.61 0.01 -1.26 -0.88 113.70 116.26 2jsp s SER 30 Ca 0.64 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 2jsp s SER 30 Cb -0.52 -0.40 0.06 0.00 0.21 0.00 0.00 66.02 65.37 2jsp s SER 30 CO 0.56 0.17 0.91 0.72 0.41 0.00 0.00 173.24 176.00 2jsp s PHE 31 N -1.22 -0.15 0.17 2.43 -0.12 -0.87 -4.91 117.98 113.31 2jsp s PHE 31 Ca 0.17 -0.18 0.19 0.00 -0.05 0.00 0.00 56.93 57.06 2jsp s PHE 31 Cb -0.10 0.65 0.72 0.00 -0.63 0.00 0.00 43.02 43.66 2jsp s PHE 31 CO 0.09 -0.91 1.75 0.87 -0.05 0.00 0.00 175.22 176.97 2jsp h LYS 32 N 2.00 0.00 -4.30 1.99 1.57 -1.86 0.27 116.57 116.24 2jsp h LYS 32 Ca -0.23 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.05 2jsp h LYS 32 Cb 1.24 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.19 2jsp h LYS 32 CO 0.25 0.35 -0.80 -1.54 -0.57 0.00 0.00 179.45 177.14 2jsp s SER 33 N -6.42 1.84 -0.13 0.86 1.04 -1.26 -0.49 113.70 109.14 2jsp s SER 33 Ca 0.00 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.22 2jsp s SER 33 Cb 0.11 -0.77 -0.12 0.00 0.10 0.00 0.00 66.02 65.34 2jsp s SER 33 CO 0.68 -0.06 -0.05 -0.11 0.98 0.00 0.00 173.24 174.69 2jsp n LEU 34 N 4.41 1.47 -0.33 2.42 -0.00 -1.13 -4.39 117.00 119.44 2jsp n LEU 34 Ca -0.18 -0.04 0.20 0.00 -0.00 0.00 0.00 56.01 55.99 2jsp n LEU 34 Cb 0.51 -0.11 0.41 0.00 -0.00 0.00 0.00 43.42 44.22 2jsp n LEU 34 CO 0.20 0.52 1.10 0.07 -0.00 0.00 0.00 177.39 179.29 2jsp h LYS 35 N 0.00 0.38 0.00 1.96 5.09 -1.86 0.25 116.57 122.39 2jsp h LYS 35 Ca -0.33 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.39 2jsp h LYS 35 Cb 1.63 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.87 2jsp h LYS 35 CO -0.02 0.25 0.00 0.54 -2.09 0.00 0.00 179.45 178.14 2jsp n ARG 36 N -5.02 0.00 -0.35 0.07 3.00 -1.26 -3.18 116.66 109.91 2jsp n ARG 36 Ca 0.28 0.47 0.06 0.00 -0.01 0.00 0.00 57.85 58.65 2jsp n ARG 36 Cb 0.84 -1.34 0.15 0.00 0.00 0.00 0.00 32.46 32.12 2jsp n ARG 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsp h HIS 37 N 0.00 -0.48 0.00 -1.55 2.76 -1.52 0.22 115.15 114.58 2jsp h HIS 37 Ca 0.00 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2jsp h HIS 37 Cb 0.00 0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2jsp h HIS 37 CO 0.16 -0.42 0.00 -0.11 -1.30 0.00 0.00 177.93 176.26 2jsp n LEU 38 N -5.61 0.00 -0.07 0.26 -0.00 0.79 -1.10 117.00 111.27 2jsp n LEU 38 Ca 0.16 0.87 0.18 0.00 -0.00 0.00 0.00 56.01 57.22 2jsp n LEU 38 Cb 0.51 -0.37 0.61 0.00 -0.00 0.00 0.00 43.42 44.18 2jsp n LEU 38 CO -0.11 -0.37 1.19 0.74 -0.00 0.00 0.00 177.39 178.85 2jsp h THR 39 N 0.00 0.77 -0.24 1.96 2.02 -1.08 0.58 112.91 116.91 2jsp h THR 39 Ca 0.00 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2jsp h THR 39 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2jsp h THR 39 CO 0.00 0.03 -0.07 0.74 0.37 0.00 0.00 175.52 176.60 2jsp h THR 40 N 0.18 1.29 0.00 3.16 2.02 -0.62 -3.24 112.91 115.69 2jsp h THR 40 Ca 0.30 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2jsp h THR 40 Cb 0.93 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2jsp h THR 40 CO -0.05 0.33 0.00 1.41 0.37 0.00 0.00 175.52 177.59 2jsp n HIS 41 N -4.56 0.00 0.24 3.16 8.25 0.00 -4.64 115.22 117.68 2jsp n HIS 41 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2jsp n HIS 41 Cb 0.30 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.05 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 -1.57 4.41 -0.00 -1.25 -3.49 115.15 113.26 2jsp h HIS 42 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 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 -0.03 0.43 -0.00 0.00 0.00 177.93 178.33 2jsp n SER 43 N -2.48 -4.64 -1.04 2.45 7.64 0.18 -4.86 113.62 110.87 2jsp n SER 43 Ca -0.02 0.10 0.10 0.00 1.01 0.00 0.00 58.87 60.06 2jsp n SER 43 Cb 0.27 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.65 -2.47 -2.28 1.43 2.81 -1.26 -3.12 117.12 110.58 2jsp n MET 44 Ca 0.00 2.00 -0.37 0.00 -1.81 0.00 0.00 57.70 57.52 2jsp n MET 44 Cb 0.04 -2.77 -0.01 0.00 -0.71 0.00 0.00 33.22 29.77 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 -4.15 3.14 0.19 2.03 -4.23 -1.26 -3.67 115.64 107.69 2jsp s THR 45 Ca 0.00 0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 2jsp s THR 45 Cb 0.00 -3.45 0.10 0.00 1.34 0.00 0.00 72.50 70.48 2jsp s THR 45 CO 0.00 0.00 1.76 1.55 -0.54 0.00 0.00 174.62 177.39 2jsp h PRO 46 N 2.17 0.38 -0.48 3.99 0.13 -1.91 -1.38 132.00 134.90 2jsp h PRO 46 Ca -0.49 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2jsp h PRO 46 Cb 1.24 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jsp h PRO 46 CO 0.61 0.25 0.11 0.93 -0.23 0.00 0.00 178.00 179.67 2jsp h GLU 47 N 0.39 0.72 -0.82 0.86 5.08 -1.93 -2.28 114.58 116.61 2jsp h GLU 47 Ca 0.24 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jsp h GLU 47 Cb 0.24 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2jsp h GLU 47 CO -0.23 0.66 0.54 1.49 -1.00 0.00 0.00 179.01 180.46 2jsp h GLU 48 N 0.70 1.08 -0.34 2.33 4.57 -1.68 -2.49 114.58 118.75 2jsp h GLU 48 Ca 0.16 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jsp h GLU 48 Cb 0.27 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2jsp h GLU 48 CO -0.00 0.72 0.16 -0.92 -1.18 0.00 0.00 179.01 177.79 2jsp h TYR 49 N 1.11 0.46 -0.82 0.92 3.20 -0.77 -1.71 116.97 119.36 2jsp h TYR 49 Ca 0.30 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.22 2jsp h TYR 49 Cb -0.12 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 2jsp h TYR 49 CO -0.01 0.34 0.54 0.07 -1.64 0.00 0.00 178.16 177.46 2jsp h ARG 50 N 0.48 0.91 -0.63 1.82 -0.00 -0.96 -2.23 114.38 113.77 2jsp h ARG 50 Ca 0.12 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2jsp h ARG 50 Cb 0.05 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.97 29.79 2jsp h ARG 50 CO -0.02 0.60 0.39 1.49 -0.00 0.00 0.00 179.97 182.43 2jsp h GLU 51 N 0.94 0.85 -0.55 0.08 4.81 -1.32 0.16 114.58 119.55 2jsp h GLU 51 Ca 0.34 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 2jsp h GLU 51 Cb 0.16 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 2jsp h GLU 51 CO -0.12 0.60 0.09 -0.22 -0.73 0.00 0.00 179.01 178.63 2jsp h LYS 52 N 0.86 0.21 -0.57 1.92 1.63 -1.40 -0.36 116.57 118.85 2jsp h LYS 52 Ca 0.23 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2jsp h LYS 52 Cb -0.04 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 2jsp h LYS 52 CO -0.04 0.14 0.00 0.91 -3.45 0.00 0.00 179.45 177.00 2jsp n TRP 53 N -5.15 0.87 -2.72 1.91 7.02 -1.06 -4.93 117.44 113.38 2jsp n TRP 53 Ca 0.07 -0.40 -0.16 0.00 -1.02 0.00 0.00 57.50 56.00 2jsp n TRP 53 Cb 0.29 -0.07 -0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 1.01 -4.01 -4.60 -0.99 8.00 -0.15 -4.85 116.55 110.96 2jsp n ASP 54 Ca 0.19 0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 2jsp n ASP 54 Cb 0.54 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 38.25 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jsp s LEU 55 N -5.91 3.44 0.41 0.64 2.96 0.43 -4.91 118.68 115.74 2jsp s LEU 55 Ca 0.12 1.87 -0.26 0.00 -0.22 0.00 0.00 54.13 55.64 2jsp s LEU 55 Cb -0.06 -3.51 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 2jsp s LEU 55 CO 0.15 -1.97 1.29 -0.81 -1.32 0.00 0.00 176.35 173.70 2jsp n PRO 56 N 8.76 2.02 -2.30 0.98 -0.04 -1.26 -2.15 135.00 141.01 2jsp n PRO 56 Ca 0.30 0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 64.38 2jsp n PRO 56 Cb 0.45 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 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 -0.09 -0.40 -3.81 0.52 3.14 -1.26 -1.81 118.33 114.63 2jsp n VAL 57 Ca 0.06 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.14 2jsp n VAL 57 Cb 0.39 -1.31 0.01 0.00 -1.06 0.00 0.00 33.84 31.87 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 -1.52 -4.33 -1.16 6.55 5.75 -0.92 -4.81 116.55 116.10 2jsp n ASP 58 Ca -0.11 -0.71 -0.16 0.00 -0.01 0.00 0.00 54.79 53.80 2jsp n ASP 58 Cb 0.55 -3.50 -0.02 0.00 -1.03 0.00 0.00 41.12 37.12 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 -4.44 0.27 -1.99 2.11 9.36 -0.75 -4.84 117.16 116.87 2jsp n TYR 59 Ca 0.03 0.28 -0.42 0.00 3.32 0.00 0.00 57.90 61.11 2jsp n TYR 59 Cb 0.52 -0.54 -0.03 0.00 -0.63 0.00 0.00 39.34 38.66 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 0.28 4.25 -0.65 2.98 0.04 -1.26 -4.95 135.00 135.69 2jsp s PRO 60 Ca 0.24 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2jsp s PRO 60 Cb -0.34 -3.16 0.38 0.00 0.04 0.00 0.00 34.50 31.41 2jsp s PRO 60 CO 0.17 -0.54 1.45 0.00 0.04 0.00 0.00 177.00 178.12 2jsp n MET 61 N 3.64 3.38 -4.27 4.56 0.00 -1.26 -4.94 117.12 118.23 2jsp n MET 61 Ca 0.12 -4.26 -0.17 0.00 0.00 0.00 0.00 57.70 53.39 2jsp n MET 61 Cb 0.40 -2.28 -0.09 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 -5.13 0.06 0.31 3.17 1.01 -1.26 -2.38 120.40 116.18 2jsp s VAL 62 Ca 0.49 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 2jsp s VAL 62 Cb 0.38 -2.50 -0.15 0.00 0.00 0.00 0.00 36.38 34.11 2jsp s VAL 62 CO -0.25 0.00 0.49 0.00 0.00 0.00 0.00 175.10 175.34 2jsp n ALA 63 N -0.52 -2.22 -0.36 5.51 0.00 0.36 -4.72 120.51 118.55 2jsp n ALA 63 Ca 0.05 0.29 0.26 0.00 0.00 0.00 0.00 53.44 54.04 2jsp n ALA 63 Cb 0.64 -1.67 0.53 0.00 0.00 0.00 0.00 19.45 18.95 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 0.93 0.30 -0.91 0.00 0.13 -1.89 -0.80 132.00 129.77 2jsp h PRO 64 Ca -0.35 -0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.35 2jsp h PRO 64 Cb 1.42 -0.07 -0.41 0.00 0.13 0.00 0.00 31.00 32.07 2jsp h PRO 64 CO 0.54 0.20 -0.99 0.00 -0.23 0.00 0.00 178.00 177.52 2jsp n ALA 65 N -2.44 3.90 -0.06 -0.56 0.00 -1.26 -4.94 120.51 115.14 2jsp n ALA 65 Ca 0.30 -3.44 -0.10 0.00 0.00 0.00 0.00 53.44 50.20 2jsp n ALA 65 Cb 1.03 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 2.62 0.31 -1.02 0.00 3.20 -1.48 -3.48 116.97 117.13 2jsp h TYR 66 Ca 0.08 -0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.35 2jsp h TYR 66 Cb 1.22 -0.10 -0.14 0.00 1.54 0.00 0.00 36.73 39.25 2jsp h TYR 66 CO 0.65 0.25 1.00 0.00 -1.64 0.00 0.00 178.16 178.42 2jsp s ALA 67 N -5.96 -2.53 0.00 1.82 0.00 -1.26 -5.07 121.76 108.75 2jsp s ALA 67 Ca -0.13 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2jsp s ALA 67 Cb 0.08 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2jsp s ALA 67 CO 0.70 -1.06 0.00 0.39 0.00 0.00 0.00 175.76 175.79 2jsp n GLU 68 N -0.51 0.00 -3.60 0.00 1.02 -1.26 -4.98 120.64 111.32 2jsp n GLU 68 Ca -0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.84 2jsp n GLU 68 Cb 0.64 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.07 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 4.23 -2.68 -3.00 0.62 0.00 -0.92 -4.98 120.51 113.77 2jsp n ALA 69 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2jsp n ALA 69 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.76 2.69 -0.33 0.00 0.63 -0.38 -4.90 116.66 111.61 2jsp n ARG 70 Ca -0.19 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.67 2jsp n ARG 70 Cb 0.62 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.50 2jsp n ARG 70 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jsp h SER 71 N 0.00 -1.71 -0.94 6.15 0.87 -2.07 0.77 113.55 116.62 2jsp h SER 71 Ca 0.00 0.30 -0.57 0.00 -1.23 0.00 0.00 61.79 60.28 2jsp h SER 71 Cb 0.00 0.80 -0.29 0.00 -0.44 0.00 0.00 62.40 62.47 2jsp h SER 71 CO 0.00 -0.29 0.64 -1.14 -0.53 0.00 0.00 176.83 175.51 2jsp n ARG 72 N -5.38 2.49 0.00 2.24 0.63 -1.26 -5.02 116.66 110.36 2jsp n ARG 72 Ca 0.04 -3.21 0.00 0.00 -0.92 0.00 0.00 57.85 53.77 2jsp n ARG 72 Cb 0.34 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.04 2jsp n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jsp n LEU 73 N -1.02 0.00 -2.65 6.15 4.77 0.26 -4.04 117.00 120.46 2jsp n LEU 73 Ca 0.59 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 2jsp n LEU 73 Cb 1.13 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.33 2jsp n LEU 73 CO 0.66 0.00 0.74 0.00 -1.33 0.00 0.00 177.39 177.46 2jsp n ALA 74 N 8.98 -3.55 -1.79 -1.18 0.00 -1.26 -1.25 120.51 120.45 2jsp n ALA 74 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 2jsp n ALA 74 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 19.45 16.03 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 0.02 3.92 0.00 0.00 2.36 -1.26 -4.80 119.74 119.98 2jsp s LYS 75 Ca 0.22 1.46 0.00 0.00 -2.55 0.00 0.00 55.97 55.09 2jsp s LYS 75 Cb 0.27 -2.28 0.00 0.00 -1.05 0.00 0.00 37.83 34.76 2jsp s LYS 75 CO -0.16 -0.34 0.00 -1.91 1.55 0.00 0.00 175.35 174.48 2jsp n GLU 76 N -0.60 0.00 0.06 4.03 0.00 -1.26 -4.97 120.64 117.90 2jsp n GLU 76 Ca 0.08 0.32 0.18 0.00 0.00 0.00 0.00 57.16 57.74 2jsp n GLU 76 Cb 0.51 -0.33 0.70 0.00 0.00 0.00 0.00 31.44 32.32 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jsp h MET 77 N 0.00 0.00 0.00 5.31 -0.00 -2.01 -3.47 114.93 114.77 2jsp h MET 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jsp h MET 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2jsp h MET 77 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.32 2jsp n GLY 78 N -1.60 1.79 0.31 -3.00 0.00 -1.26 -5.03 105.19 96.40 2jsp n GLY 78 Ca 0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 1.05 -2.52 0.99 4.07 -2.03 -3.49 115.31 113.37 2jsp h LEU 79 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2jsp h LEU 79 Cb 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.46 2jsp h LEU 79 CO 0.00 1.10 -0.04 0.61 -1.08 0.00 0.00 178.44 179.03 2jsp n GLY 80 N -0.42 -1.02 3.43 0.83 0.00 -1.26 -5.08 105.19 101.68 2jsp n GLY 80 Ca 0.03 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 2jsp n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsp s GLN 81 N -2.92 2.02 0.48 1.61 0.74 -1.26 -5.02 119.66 115.31 2jsp s GLN 81 Ca 0.02 -1.01 0.00 0.00 0.05 0.00 0.00 55.36 54.42 2jsp s GLN 81 Cb -0.01 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.96 2jsp s GLN 81 CO 0.56 0.53 0.00 -2.13 -0.55 0.00 0.00 175.29 173.70 2jsp n ARG 82 N 1.60 -2.58 -4.70 1.67 0.63 -1.26 -5.03 116.66 106.99 2jsp n ARG 82 Ca -0.16 2.11 -0.29 0.00 -0.92 0.00 0.00 57.85 58.59 2jsp n ARG 82 Cb 0.52 -2.99 -0.14 0.00 0.45 0.00 0.00 32.46 30.30 2jsp n ARG 82 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2jsp s ARG 83 N -4.04 1.59 -0.02 -0.14 3.03 -1.26 -5.14 118.95 112.96 2jsp s ARG 83 Ca 0.00 -1.15 0.01 0.00 2.03 0.00 0.00 55.73 56.62 2jsp s ARG 83 Cb 0.00 -1.84 0.01 0.00 -1.03 0.00 0.00 34.95 32.09 2jsp s ARG 83 CO 0.00 0.46 -0.03 -1.59 -1.13 0.00 0.00 175.30 173.01 2jsp s LYS 84 N -1.48 0.49 -0.39 3.89 -2.85 -1.26 -5.10 119.74 113.04 2jsp s LYS 84 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 55.97 55.04 2jsp s LYS 84 Cb -0.10 -0.54 0.15 0.00 -2.06 0.00 0.00 37.83 35.28 2jsp s LYS 84 CO 0.03 -0.03 0.28 0.00 0.10 0.00 0.00 175.35 175.73 2jsp s ALA 85 N 0.57 1.27 -0.05 0.59 0.00 -1.26 -5.11 121.76 117.77 2jsp s ALA 85 Ca -0.06 -2.22 0.02 0.00 0.00 0.00 0.00 51.96 49.70 2jsp s ALA 85 Cb -0.10 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2jsp s ALA 85 CO -0.01 -2.04 -0.11 1.21 0.00 0.00 0.00 175.76 174.81 2jsp s ASN 86 N 0.50 1.59 0.00 0.00 3.84 -1.26 -5.40 114.94 114.21 2jsp s ASN 86 Ca 0.25 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.06 2jsp s ASN 86 Cb -0.10 -0.65 0.00 0.00 -0.55 0.00 0.00 41.25 39.95 2jsp s ASN 86 CO -0.09 0.04 0.00 -2.11 -2.79 0.00 0.00 177.10 172.15