#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 -2.09 0.00 0.31 -1.26 -5.08 118.33 110.21 2jsp n VAL 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2jsp n VAL 2 Cb 0.00 -0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 2jsp n VAL 2 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jsp s ASN 3 N -3.23 6.74 0.09 4.52 2.20 -1.26 -4.62 114.94 119.38 2jsp s ASN 3 Ca 0.00 2.33 0.00 0.00 -0.94 0.00 0.00 52.86 54.25 2jsp s ASN 3 Cb 0.00 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.68 2jsp s ASN 3 CO 0.00 -0.76 0.00 0.55 -2.94 0.00 0.00 177.10 173.95 2jsp n VAL 4 N 4.44 0.00 -2.84 3.54 3.14 -1.26 -5.05 118.33 120.30 2jsp n VAL 4 Ca 0.14 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.43 2jsp n VAL 4 Cb 0.42 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.21 2jsp n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2jsp n GLU 5 N -2.73 0.58 0.00 1.45 4.07 -1.26 -4.97 120.64 117.78 2jsp n GLU 5 Ca 0.00 -2.12 0.00 0.00 -0.06 0.00 0.00 57.16 54.98 2jsp n GLU 5 Cb 0.00 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2jsp n LYS 6 N 2.49 0.00 -1.41 5.31 3.00 -1.26 -5.12 118.16 121.16 2jsp n LYS 6 Ca 0.17 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.13 2jsp n LYS 6 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.44 2jsp n LYS 6 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jsp n GLN 7 N 0.00 0.00 -4.30 1.64 7.27 -1.25 -4.63 117.38 116.11 2jsp n GLN 7 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 2jsp n GLN 7 Cb 0.00 -1.30 -0.13 0.00 2.41 0.00 0.00 30.24 31.22 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jsp s LYS 8 N 8.03 0.89 -0.21 3.69 1.02 -1.15 -4.86 119.74 127.14 2jsp s LYS 8 Ca 1.27 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 2jsp s LYS 8 Cb -1.09 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2jsp s LYS 8 CO 0.48 0.22 1.79 -1.25 -0.92 0.00 0.00 175.35 175.66 2jsp s PRO 9 N -1.26 3.63 -1.53 -1.68 0.04 -1.26 -1.72 135.00 131.21 2jsp s PRO 9 Ca 0.00 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2jsp s PRO 9 Cb -0.08 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.26 2jsp s PRO 9 CO 0.01 -1.50 2.72 0.00 0.04 0.00 0.00 177.00 178.27 2jsp n ALA 10 N 9.24 6.84 -0.24 8.56 0.00 -1.26 -4.91 120.51 138.74 2jsp n ALA 10 Ca 0.21 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 50.12 2jsp n ALA 10 Cb 0.45 -3.41 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 4.05 0.00 -2.42 0.00 0.24 -1.26 -4.75 118.33 114.19 2jsp n VAL 11 Ca 0.70 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.75 2jsp n VAL 11 Cb 0.27 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.68 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 5.31 0.00 -1.34 0.15 -1.26 -5.06 113.70 107.51 2jsp s SER 12 Ca 0.00 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2jsp s SER 12 Cb 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2jsp s SER 12 CO 0.00 -1.22 0.00 0.55 1.20 0.00 0.00 173.24 173.77 2jsp n VAL 13 N -2.61 0.00 0.00 4.45 3.14 -1.26 -4.24 118.33 117.80 2jsp n VAL 13 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 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 0.54 -6.46 0.00 0.00 176.83 170.91 2jsp n ARG 14 N 0.00 0.00 -0.92 1.45 1.74 -1.26 -4.11 116.66 113.56 2jsp n ARG 14 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2jsp n ARG 14 Cb 0.00 0.00 0.38 0.00 -1.02 0.00 0.00 32.46 31.82 2jsp n ARG 14 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jsp n LYS 15 N 0.00 4.63 0.28 5.56 4.81 -1.26 -4.13 118.16 128.06 2jsp n LYS 15 Ca 0.00 -3.10 0.14 0.00 -0.87 0.00 0.00 58.31 54.47 2jsp n LYS 15 Cb 0.00 -2.26 0.81 0.00 0.02 0.00 0.00 35.03 33.61 2jsp n LYS 15 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jsp h SER 16 N 3.68 0.00 -3.17 3.14 0.87 -1.74 -3.39 113.55 112.94 2jsp h SER 16 Ca 0.06 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.06 2jsp h SER 16 Cb 2.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.97 2jsp h SER 16 CO 0.54 0.06 0.65 -0.69 -0.53 0.00 0.00 176.83 176.87 2jsp s VAL 17 N -4.45 4.61 0.08 2.23 1.01 -1.26 -3.12 120.40 119.51 2jsp s VAL 17 Ca -0.04 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2jsp s VAL 17 Cb 0.14 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 2jsp s VAL 17 CO 0.57 -0.03 0.01 0.00 0.00 0.00 0.00 175.10 175.65 2jsp n GLN 18 N 5.33 1.52 -1.88 2.72 6.02 -0.86 -5.04 117.38 125.19 2jsp n GLN 18 Ca 0.10 -0.63 -0.22 0.00 -0.01 0.00 0.00 57.00 56.24 2jsp n GLN 18 Cb 0.47 0.22 -0.07 0.00 1.02 0.00 0.00 30.24 31.88 2jsp n GLN 18 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jsp s ASP 19 N -1.47 4.48 -1.36 1.08 -1.08 -1.26 -3.34 116.67 113.72 2jsp s ASP 19 Ca 0.01 -1.00 -0.07 0.00 -0.52 0.00 0.00 52.55 50.97 2jsp s ASP 19 Cb 0.00 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.92 2jsp s ASP 19 CO 0.01 -3.55 0.47 0.47 0.52 0.00 0.00 175.17 173.09 2jsp n ASP 20 N 16.26 -4.56 -3.66 -0.34 9.92 -1.26 -4.97 116.55 127.94 2jsp n ASP 20 Ca 0.43 -0.29 -0.08 0.00 -0.53 0.00 0.00 54.79 54.32 2jsp n ASP 20 Cb 0.46 -3.75 -0.09 0.00 -0.64 0.00 0.00 41.12 37.10 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 -2.98 -0.81 -0.05 1.24 -3.43 -1.21 -4.79 115.29 103.26 2jsp s HIS 21 Ca 0.32 1.56 -0.17 0.00 -0.80 0.00 0.00 55.06 55.97 2jsp s HIS 21 Cb -0.16 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 2jsp s HIS 21 CO 0.39 -0.48 0.47 -1.50 -2.00 0.00 0.00 174.74 171.62 2jsp s ILE 22 N 2.45 5.06 -0.21 -5.38 2.07 -1.26 -2.03 121.20 121.89 2jsp s ILE 22 Ca -0.03 0.95 -0.18 0.00 -1.41 0.00 0.00 60.65 59.98 2jsp s ILE 22 Cb -0.11 -3.79 -0.03 0.00 0.13 0.00 0.00 42.46 38.65 2jsp s ILE 22 CO -0.13 0.45 0.51 0.54 -1.91 0.00 0.00 174.94 174.41 2jsp s VAL 23 N -0.26 5.10 -0.44 4.00 0.11 -1.18 -3.17 120.40 124.56 2jsp s VAL 23 Ca 0.26 0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 59.95 2jsp s VAL 23 Cb -0.16 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2jsp s VAL 23 CO 0.13 0.16 1.56 0.00 -3.33 0.00 0.00 175.10 173.61 2jsp n LEU 25 N 9.73 4.62 -0.98 0.00 7.99 -1.26 0.81 117.00 137.90 2jsp n LEU 25 Ca 0.18 1.21 -0.13 0.00 -0.01 0.00 0.00 56.01 57.26 2jsp n LEU 25 Cb 0.48 -1.60 -0.05 0.00 -0.11 0.00 0.00 43.42 42.14 2jsp n LEU 25 CO 0.70 0.01 -0.12 1.21 -1.51 0.00 0.00 177.39 177.68 2jsp n GLU 26 N 0.37 -1.53 0.08 3.23 2.13 -1.02 -4.64 120.64 119.25 2jsp n GLU 26 Ca 0.02 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2jsp n GLU 26 Cb 0.39 -5.29 0.00 0.00 0.27 0.00 0.00 31.44 26.81 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 1.66 3.04 3.61 0.00 0.00 0.24 -2.95 105.19 110.78 2jsp n GLY 28 Ca 0.00 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 3.50 -0.02 0.00 -1.26 -4.15 105.19 102.84 2jsp n GLY 29 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.28 4.14 0.00 1.61 0.15 -1.26 -1.34 113.70 115.72 2jsp s SER 30 Ca 0.76 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2jsp s SER 30 Cb -0.41 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2jsp s SER 30 CO 0.47 0.33 0.11 2.22 1.20 0.00 0.00 173.24 177.57 2jsp n PHE 31 N 2.11 0.00 0.00 3.44 1.16 -1.19 -4.99 117.46 117.99 2jsp n PHE 31 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 2jsp n PHE 31 Cb 0.52 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 2jsp n PHE 31 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2jsp n LYS 32 N 0.00 0.00 -4.09 3.97 4.01 -1.26 -4.82 118.16 115.97 2jsp n LYS 32 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 2jsp n LYS 32 Cb 0.31 -0.60 -0.16 0.00 -0.51 0.00 0.00 35.03 34.07 2jsp n LYS 32 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2jsp s SER 33 N 0.00 3.39 0.00 4.39 0.15 -1.26 -0.27 113.70 120.10 2jsp s SER 33 Ca 0.00 -0.81 0.25 0.00 0.70 0.00 0.00 55.95 56.09 2jsp s SER 33 Cb 0.00 -1.46 0.52 0.00 -1.71 0.00 0.00 66.02 63.38 2jsp s SER 33 CO 0.00 -0.05 1.42 -0.11 1.20 0.00 0.00 173.24 175.70 2jsp n LEU 34 N 4.60 0.77 -0.07 3.45 7.94 0.16 -4.45 117.00 129.40 2jsp n LEU 34 Ca -0.19 -0.15 -0.15 0.00 -1.11 0.00 0.00 56.01 54.41 2jsp n LEU 34 Cb 0.48 -0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.15 2jsp n LEU 34 CO 0.24 0.17 0.50 0.11 -1.11 0.00 0.00 177.39 177.30 2jsp h LYS 35 N 0.50 -0.48 0.29 1.96 1.79 -1.94 0.13 116.57 118.82 2jsp h LYS 35 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jsp h LYS 35 Cb 0.51 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2jsp h LYS 35 CO 0.00 -0.32 -0.14 0.00 -1.08 0.00 0.00 179.45 177.91 2jsp h ARG 36 N -0.50 -0.38 -0.79 3.15 2.47 -1.96 -3.32 114.38 113.06 2jsp h ARG 36 Ca 0.05 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.93 2jsp h ARG 36 Cb 0.64 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 28.92 2jsp h ARG 36 CO -0.51 -0.25 -0.27 1.58 0.56 0.00 0.00 179.97 181.07 2jsp n HIS 37 N -3.81 0.11 0.00 3.04 -0.00 -1.12 -0.28 115.22 113.15 2jsp n HIS 37 Ca -0.05 0.97 0.00 0.00 0.46 0.00 0.00 57.72 59.10 2jsp n HIS 37 Cb 0.16 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.18 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 -5.20 0.00 0.10 0.27 -0.00 0.44 0.06 117.00 112.67 2jsp n LEU 38 Ca 0.09 0.96 0.15 0.00 -0.00 0.00 0.00 56.01 57.21 2jsp n LEU 38 Cb 0.34 -0.46 0.65 0.00 -0.00 0.00 0.00 43.42 43.95 2jsp n LEU 38 CO -0.10 -0.46 1.14 0.74 -0.00 0.00 0.00 177.39 178.70 2jsp h THR 39 N 0.00 0.86 0.27 1.96 2.02 -1.17 0.73 112.91 117.58 2jsp h THR 39 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2jsp h THR 39 Cb 0.00 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2jsp h THR 39 CO 0.00 0.01 -0.13 0.74 0.37 0.00 0.00 175.52 176.51 2jsp h THR 40 N 0.04 0.00 0.00 3.16 2.02 -0.41 -3.28 112.91 114.43 2jsp h THR 40 Ca 0.15 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jsp h THR 40 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2jsp h THR 40 CO -0.01 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.29 2jsp n HIS 41 N -3.41 0.00 0.26 3.16 8.25 0.11 -4.28 115.22 119.32 2jsp n HIS 41 Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.58 2jsp n HIS 41 Cb 0.14 -0.17 0.86 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.97 4.41 -0.00 -1.57 -3.49 115.15 112.53 2jsp h HIS 42 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 2jsp h HIS 42 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 2jsp h HIS 42 CO 0.00 0.00 -0.16 0.43 -0.00 0.00 0.00 177.93 178.20 2jsp n SER 43 N -2.67 -5.59 -0.72 2.45 7.64 0.25 -4.91 113.62 110.09 2jsp n SER 43 Ca -0.02 0.47 0.09 0.00 1.01 0.00 0.00 58.87 60.42 2jsp n SER 43 Cb 0.13 -1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 61.97 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 -2.35 -1.59 -2.46 1.43 2.81 -1.26 -3.48 117.12 110.23 2jsp n MET 44 Ca 0.00 1.23 -0.36 0.00 -1.81 0.00 0.00 57.70 56.76 2jsp n MET 44 Cb 0.20 -1.88 -0.03 0.00 -0.71 0.00 0.00 33.22 30.80 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 -2.95 3.55 0.24 2.03 -4.23 -1.26 -3.42 115.64 109.60 2jsp s THR 45 Ca 0.00 1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.58 2jsp s THR 45 Cb 0.00 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.50 2jsp s THR 45 CO 0.00 -0.06 1.81 1.55 -0.54 0.00 0.00 174.62 177.39 2jsp h PRO 46 N 2.11 0.77 -0.70 3.99 0.13 -1.91 -1.07 132.00 135.33 2jsp h PRO 46 Ca -0.49 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 2jsp h PRO 46 Cb 1.23 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2jsp h PRO 46 CO 0.61 0.51 0.37 0.93 -0.23 0.00 0.00 178.00 180.19 2jsp h GLU 47 N 0.80 0.98 -0.50 0.86 5.08 -1.95 -0.83 114.58 119.01 2jsp h GLU 47 Ca 0.38 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2jsp h GLU 47 Cb 0.31 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2jsp h GLU 47 CO -0.23 0.74 0.25 1.49 -1.00 0.00 0.00 179.01 180.26 2jsp h GLU 48 N 0.96 0.72 -0.62 2.33 4.57 -1.79 -2.68 114.58 118.08 2jsp h GLU 48 Ca 0.24 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.41 2jsp h GLU 48 Cb 0.05 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.44 2jsp h GLU 48 CO -0.04 0.59 0.27 -0.92 -1.18 0.00 0.00 179.01 177.73 2jsp h TYR 49 N 0.66 0.48 -0.60 0.92 3.20 -0.99 -1.98 116.97 118.66 2jsp h TYR 49 Ca 0.17 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2jsp h TYR 49 Cb 0.10 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2jsp h TYR 49 CO -0.01 0.17 0.40 0.07 -1.64 0.00 0.00 178.16 177.14 2jsp h ARG 50 N 0.48 0.58 -0.47 1.82 -0.00 -0.81 -1.60 114.38 114.38 2jsp h ARG 50 Ca 0.30 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.98 60.15 2jsp h ARG 50 Cb 0.32 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.97 30.14 2jsp h ARG 50 CO -0.26 0.38 -0.10 1.49 -0.00 0.00 0.00 179.97 181.47 2jsp h GLU 51 N 0.59 0.86 0.13 0.08 4.81 -1.25 0.26 114.58 120.05 2jsp h GLU 51 Ca 0.26 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jsp h GLU 51 Cb 0.26 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2jsp h GLU 51 CO -0.08 0.92 -0.27 -0.22 -0.73 0.00 0.00 179.01 178.64 2jsp h LYS 52 N 0.77 -0.47 -0.06 1.92 1.63 -1.13 -1.21 116.57 118.03 2jsp h LYS 52 Ca 0.13 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2jsp h LYS 52 Cb 0.61 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2jsp h LYS 52 CO 0.04 -0.31 0.00 0.91 -3.45 0.00 0.00 179.45 176.64 2jsp n TRP 53 N -5.39 0.08 -3.87 1.91 7.02 -1.05 -4.91 117.44 111.23 2jsp n TRP 53 Ca -0.07 -0.04 -0.31 0.00 -1.02 0.00 0.00 57.50 56.07 2jsp n TRP 53 Cb 0.30 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.12 2jsp n TRP 53 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2jsp n ASP 54 N -0.37 -0.83 -4.57 -0.99 5.68 -0.12 -4.86 116.55 110.49 2jsp n ASP 54 Ca 0.05 -0.97 -0.40 0.00 -0.50 0.00 0.00 54.79 52.96 2jsp n ASP 54 Cb 0.07 -1.23 -0.03 0.00 -1.14 0.00 0.00 41.12 38.79 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jsp s LEU 55 N -5.98 3.40 0.60 -2.12 2.96 0.74 -4.95 118.68 113.34 2jsp s LEU 55 Ca 0.47 0.84 -0.19 0.00 -0.22 0.00 0.00 54.13 55.03 2jsp s LEU 55 Cb -0.28 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2jsp s LEU 55 CO 0.79 -2.08 1.13 -0.81 -1.32 0.00 0.00 176.35 174.05 2jsp n PRO 56 N 8.80 1.12 -1.99 0.98 -0.04 -1.26 -2.34 135.00 140.26 2jsp n PRO 56 Ca 0.22 0.43 -0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2jsp n PRO 56 Cb 0.50 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.60 -0.28 -3.97 0.52 3.14 -1.26 -2.14 118.33 112.73 2jsp n VAL 57 Ca 0.14 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.24 2jsp n VAL 57 Cb 0.47 -1.22 -0.01 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.11 -1.41 0.00 6.55 5.75 -0.99 -4.76 116.55 120.59 2jsp n ASP 58 Ca -0.11 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2jsp n ASP 58 Cb 0.48 -3.19 0.00 0.00 -1.03 0.00 0.00 41.12 37.38 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 -4.41 0.00 -1.85 2.11 9.36 -0.91 -4.79 117.16 116.67 2jsp n TYR 59 Ca -0.20 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.61 2jsp n TYR 59 Cb 0.63 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.33 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 0.00 4.15 0.00 2.98 0.04 -1.26 -4.92 135.00 135.99 2jsp s PRO 60 Ca 0.00 2.51 0.31 0.00 0.04 0.00 0.00 61.00 63.86 2jsp s PRO 60 Cb 0.00 -3.00 1.66 0.00 0.04 0.00 0.00 34.50 33.20 2jsp s PRO 60 CO 0.00 -0.51 2.11 -1.33 0.04 0.00 0.00 177.00 177.31 2jsp n MET 61 N 1.05 0.67 -4.39 4.56 2.81 -1.26 -4.87 117.12 115.68 2jsp n MET 61 Ca 0.03 -0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 55.62 2jsp n MET 61 Cb 0.39 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.27 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 -2.35 2.27 0.07 2.03 1.01 -1.26 0.41 120.40 122.59 2jsp s VAL 62 Ca 0.36 -1.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 2jsp s VAL 62 Cb 0.21 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 2jsp s VAL 62 CO 0.43 0.06 0.23 0.00 0.00 0.00 0.00 175.10 175.82 2jsp n ALA 63 N 0.83 -1.77 -0.32 5.51 0.00 0.62 -4.79 120.51 120.59 2jsp n ALA 63 Ca -0.17 0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.62 2jsp n ALA 63 Cb 0.53 -0.66 0.34 0.00 0.00 0.00 0.00 19.45 19.66 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 0.48 0.11 -1.10 0.00 0.13 -1.89 0.12 132.00 129.84 2jsp h PRO 64 Ca -0.12 -0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.54 2jsp h PRO 64 Cb 0.59 -0.02 -0.41 0.00 0.13 0.00 0.00 31.00 31.28 2jsp h PRO 64 CO 0.24 0.07 -0.95 0.00 -0.23 0.00 0.00 178.00 177.12 2jsp n ALA 65 N -2.78 4.19 0.08 -0.56 0.00 -1.26 -4.89 120.51 115.28 2jsp n ALA 65 Ca 0.25 -3.65 -0.06 0.00 0.00 0.00 0.00 53.44 49.97 2jsp n ALA 65 Cb 0.81 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 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 2.67 -0.53 0.00 0.00 3.20 -1.27 -3.44 116.97 117.60 2jsp h TYR 66 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2jsp h TYR 66 Cb 1.14 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.55 2jsp h TYR 66 CO 0.67 -0.23 -0.03 0.00 -1.64 0.00 0.00 178.16 176.94 2jsp n ALA 67 N -2.53 -0.82 -3.49 1.82 0.00 -1.26 -5.10 120.51 109.13 2jsp n ALA 67 Ca -0.04 -0.45 0.06 0.00 0.00 0.00 0.00 53.44 53.02 2jsp n ALA 67 Cb 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.85 2jsp n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jsp n GLU 68 N -0.53 0.24 -3.88 0.00 1.02 -1.26 -5.03 120.64 111.21 2jsp n GLU 68 Ca -0.12 -0.63 -0.28 0.00 -0.02 0.00 0.00 57.16 56.11 2jsp n GLU 68 Cb 0.65 0.90 0.02 0.00 -0.02 0.00 0.00 31.44 33.00 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 -1.86 -1.56 -1.20 0.62 0.00 -1.26 -4.80 120.51 110.44 2jsp n ALA 69 Ca -0.07 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 2jsp n ALA 69 Cb 0.31 -3.43 -0.12 0.00 0.00 0.00 0.00 19.45 16.21 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 -4.53 2.51 -2.27 0.00 0.63 -1.26 -4.65 116.66 107.09 2jsp n ARG 70 Ca -0.09 -1.60 0.00 0.00 -0.92 0.00 0.00 57.85 55.25 2jsp n ARG 70 Cb 0.58 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.29 2jsp n ARG 70 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jsp n SER 71 N 2.33 -8.77 -3.58 6.15 2.88 -1.26 -4.73 113.62 106.64 2jsp n SER 71 Ca 0.51 1.72 -0.20 0.00 -1.33 0.00 0.00 58.87 59.57 2jsp n SER 71 Cb 0.70 -4.95 0.06 0.00 -0.75 0.00 0.00 64.21 59.27 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 1.89 -6.08 -2.00 -1.46 0.00 -1.26 -4.96 116.66 102.79 2jsp n ARG 72 Ca 0.00 0.75 -0.40 0.00 -0.00 0.00 0.00 57.85 58.20 2jsp n ARG 72 Cb 0.00 -5.60 -0.01 0.00 0.00 0.00 0.00 32.46 26.85 2jsp n ARG 72 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jsp s LEU 73 N -6.63 4.30 -0.45 6.15 2.96 -1.26 -4.92 118.68 118.82 2jsp s LEU 73 Ca 0.10 2.77 -0.27 0.00 -0.22 0.00 0.00 54.13 56.51 2jsp s LEU 73 Cb -0.05 -3.77 -0.06 0.00 0.50 0.00 0.00 46.19 42.81 2jsp s LEU 73 CO 0.77 -0.78 2.27 0.00 -1.32 0.00 0.00 176.35 177.28 2jsp s ALA 74 N -1.19 1.96 -0.85 5.97 0.00 -1.26 -4.90 121.76 121.49 2jsp s ALA 74 Ca 0.54 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 2jsp s ALA 74 Cb -0.41 -4.28 -0.07 0.00 0.00 0.00 0.00 23.12 18.37 2jsp s ALA 74 CO 0.54 -4.00 2.07 -1.59 0.00 0.00 0.00 175.76 172.78 2jsp s LYS 75 N 7.62 2.30 -0.45 0.00 -2.85 -1.26 -4.71 119.74 120.39 2jsp s LYS 75 Ca 0.93 0.00 0.07 0.00 -1.00 0.00 0.00 55.97 55.97 2jsp s LYS 75 Cb -0.19 -4.94 0.31 0.00 -2.06 0.00 0.00 37.83 30.94 2jsp s LYS 75 CO 0.27 -3.62 1.01 0.39 0.10 0.00 0.00 175.35 173.51 2jsp n GLU 76 N 8.87 0.97 -1.34 1.78 1.02 -1.26 -5.01 120.64 125.67 2jsp n GLU 76 Ca 0.41 -2.13 -0.03 0.00 -0.02 0.00 0.00 57.16 55.39 2jsp n GLU 76 Cb 0.46 -1.19 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsp n MET 77 N 0.58 -1.38 -3.10 3.49 0.00 -1.26 -1.89 117.12 113.55 2jsp n MET 77 Ca 0.09 0.15 -0.08 0.00 0.00 0.00 0.00 57.70 57.87 2jsp n MET 77 Cb 0.68 -4.29 0.01 0.00 0.00 0.00 0.00 33.22 29.62 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 -0.14 -1.18 3.57 3.17 0.00 -1.26 -4.92 105.19 104.43 2jsp n GLY 78 Ca -0.03 0.78 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 2jsp n GLY 78 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jsp s LEU 79 N -3.57 3.42 0.07 0.99 0.05 -0.79 -4.91 118.68 113.93 2jsp s LEU 79 Ca 0.10 1.31 -0.20 0.00 0.05 0.00 0.00 54.13 55.40 2jsp s LEU 79 Cb -0.02 -3.01 -0.07 0.00 -2.05 0.00 0.00 46.19 41.03 2jsp s LEU 79 CO 0.78 -2.34 1.32 1.23 -0.55 0.00 0.00 176.35 176.79 2jsp h GLY 80 N 16.83 -1.31 -3.93 -3.48 0.00 -1.91 -3.46 103.07 105.80 2jsp h GLY 80 Ca -0.32 0.69 -0.08 0.00 0.00 0.00 0.00 47.33 47.63 2jsp h GLY 80 CO 1.08 -0.37 -0.08 1.62 0.00 0.00 0.00 176.54 178.79 2jsp s GLN 81 N -4.57 0.90 0.07 4.80 0.74 -1.26 -5.15 119.66 115.19 2jsp s GLN 81 Ca -0.09 -0.22 -0.31 0.00 0.05 0.00 0.00 55.36 54.79 2jsp s GLN 81 Cb 0.04 0.41 -0.07 0.00 1.10 0.00 0.00 33.01 34.49 2jsp s GLN 81 CO 0.36 -0.30 1.38 0.50 -0.55 0.00 0.00 175.29 176.68 2jsp s ARG 82 N -2.04 4.31 0.11 1.67 3.52 -1.26 -5.03 118.95 120.23 2jsp s ARG 82 Ca -0.08 2.02 0.05 0.00 -0.13 0.00 0.00 55.73 57.59 2jsp s ARG 82 Cb -0.02 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2jsp s ARG 82 CO 0.01 -0.48 0.04 1.03 -0.81 0.00 0.00 175.30 175.09 2jsp s ARG 83 N 1.59 2.66 1.92 5.12 1.81 -1.26 -5.03 118.95 125.77 2jsp s ARG 83 Ca 0.64 -0.84 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 2jsp s ARG 83 Cb -0.34 -2.58 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 2jsp s ARG 83 CO 0.29 0.53 0.00 0.36 -0.68 0.00 0.00 175.30 175.80 2jsp n LYS 84 N 0.30 0.00 0.00 3.54 2.85 -1.26 -4.84 118.16 118.75 2jsp n LYS 84 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 2jsp n LYS 84 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jsp n ALA 85 N 0.91 0.00 -1.82 0.58 0.00 -1.26 -4.88 120.51 114.04 2jsp n ALA 85 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2jsp n ALA 85 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jsp n ALA 85 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jsp s ASN 86 N 0.00 6.51 0.00 0.00 -0.87 -1.26 -5.32 114.94 114.00 2jsp s ASN 86 Ca 0.00 2.81 0.08 0.00 -1.57 0.00 0.00 52.86 54.18 2jsp s ASN 86 Cb 0.00 -2.63 0.07 0.00 -0.02 0.00 0.00 41.25 38.67 2jsp s ASN 86 CO 0.00 -0.81 0.76 -1.14 -2.57 0.00 0.00 177.10 173.34