#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 s SER 2 N 0.00 -0.43 0.54 3.17 1.04 -1.26 -5.17 113.70 111.59 2jo0 s SER 2 Ca 0.00 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.56 2jo0 s SER 2 Cb 0.00 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2jo0 s SER 2 CO 0.00 -0.50 1.07 -2.16 0.98 0.00 0.00 173.24 172.64 2jo0 s PRO 3 N -1.84 3.51 0.11 4.02 0.04 -1.26 -5.00 135.00 134.58 2jo0 s PRO 3 Ca -0.01 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 2jo0 s PRO 3 Cb -0.01 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2jo0 s PRO 3 CO -0.01 -0.68 1.39 1.15 0.04 0.00 0.00 177.00 178.89 2jo0 h THR 4 N 1.14 1.29 -2.76 1.26 2.02 -2.00 -3.48 112.91 110.38 2jo0 h THR 4 Ca -0.49 -1.65 -0.10 0.00 0.77 0.00 0.00 66.41 64.93 2jo0 h THR 4 Cb 1.23 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2jo0 h THR 4 CO 0.58 0.53 -0.04 -1.20 0.37 0.00 0.00 175.52 175.76 2jo0 n SER 5 N -4.11 -0.57 0.08 4.18 7.64 -1.26 -4.98 113.62 114.61 2jo0 n SER 5 Ca -0.04 -1.74 -0.13 0.00 1.01 0.00 0.00 58.87 57.97 2jo0 n SER 5 Cb 0.58 1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 64.75 2jo0 n SER 5 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jo0 h ILE 6 N 1.40 0.98 0.00 0.44 6.09 -1.92 -3.30 117.51 121.20 2jo0 h ILE 6 Ca -0.11 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 2jo0 h ILE 6 Cb 0.47 1.29 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2jo0 h ILE 6 CO 0.15 0.12 0.00 0.00 -3.07 0.00 0.00 178.15 175.34 2jo0 n LEU 7 N -5.06 2.18 0.00 2.19 -0.00 -1.26 -2.07 117.00 112.97 2jo0 n LEU 7 Ca -0.09 -1.07 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 2jo0 n LEU 7 Cb 0.18 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2jo0 n LEU 7 CO 0.33 0.37 0.16 -0.67 -0.00 0.00 0.00 177.39 177.58 2jo0 n ASP 8 N 0.80 0.64 -0.21 1.45 2.03 -1.24 -5.04 116.55 114.98 2jo0 n ASP 8 Ca 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2jo0 n ASP 8 Cb 0.33 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jo0 n ILE 9 N -0.33 0.00 -4.39 5.18 -5.35 -0.88 -4.91 119.36 108.68 2jo0 n ILE 9 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 2jo0 n ILE 9 Cb 0.01 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2jo0 n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jo0 s ARG 10 N 0.38 1.44 0.62 6.28 1.04 -1.26 -5.01 118.95 122.45 2jo0 s ARG 10 Ca 0.00 -1.61 0.08 0.00 -1.04 0.00 0.00 55.73 53.16 2jo0 s ARG 10 Cb 0.00 -1.41 0.11 0.00 -2.04 0.00 0.00 34.95 31.61 2jo0 s ARG 10 CO 0.00 0.26 0.86 0.00 -0.04 0.00 0.00 175.30 176.38 2jo0 n GLN 11 N -0.31 0.45 0.00 3.89 10.64 -1.26 -5.11 117.38 125.69 2jo0 n GLN 11 Ca -0.08 -3.12 0.00 0.00 -1.83 0.00 0.00 57.00 51.97 2jo0 n GLN 11 Cb 0.59 -0.33 0.00 0.00 -0.86 0.00 0.00 30.24 29.64 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jo0 n GLY 12 N -2.35 -0.49 0.70 2.61 0.00 -1.26 -5.06 105.19 99.34 2jo0 n GLY 12 Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2jo0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 13 N 0.00 0.87 -0.01 1.61 -0.04 -1.26 -4.53 135.00 131.63 2jo0 n PRO 13 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2jo0 n PRO 13 Cb 0.00 -1.29 0.52 0.00 -0.04 0.00 0.00 33.50 32.69 2jo0 n PRO 13 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jo0 h LYS 14 N 0.19 0.34 0.00 0.54 3.11 -1.94 -3.41 116.57 115.40 2jo0 h LYS 14 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2jo0 h LYS 14 Cb 0.60 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2jo0 h LYS 14 CO 0.00 0.22 0.00 -1.91 -2.81 0.00 0.00 179.45 174.95 2jo0 n GLU 15 N -4.47 0.00 -3.32 1.90 0.00 -1.26 -4.55 120.64 108.94 2jo0 n GLU 15 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.89 2jo0 n GLU 15 Cb 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 31.44 31.44 2jo0 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2jo0 s PRO 16 N -1.19 3.95 0.00 5.31 0.04 -1.26 -4.44 135.00 137.40 2jo0 s PRO 16 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2jo0 s PRO 16 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2jo0 s PRO 16 CO 0.00 0.38 0.00 1.19 0.04 0.00 0.00 177.00 178.61 2jo0 n PHE 17 N 0.35 0.00 -0.16 0.56 3.01 -1.26 -4.82 117.46 115.13 2jo0 n PHE 17 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 2jo0 n PHE 17 Cb 0.52 0.07 0.07 0.00 -0.01 0.00 0.00 39.48 40.13 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2jo0 h ARG 18 N 0.00 0.29 0.00 -1.08 -0.00 -1.95 0.32 114.38 111.97 2jo0 h ARG 18 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2jo0 h ARG 18 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 29.90 2jo0 h ARG 18 CO 0.00 0.19 0.00 -0.25 -0.00 0.00 0.00 179.97 179.91 2jo0 n ASP 19 N -5.06 0.00 0.00 0.08 8.00 -1.26 -2.55 116.55 115.76 2jo0 n ASP 19 Ca 0.06 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.87 2jo0 n ASP 19 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jo0 n TYR 20 N -0.97 0.00 -0.15 1.24 9.36 -0.81 -4.82 117.16 121.00 2jo0 n TYR 20 Ca 0.15 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.31 2jo0 n TYR 20 Cb 0.07 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.81 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jo0 h VAL 21 N 0.00 1.02 -0.07 2.97 3.04 -0.09 -1.27 116.25 121.85 2jo0 h VAL 21 Ca 0.00 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2jo0 h VAL 21 Cb 0.77 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2jo0 h VAL 21 CO 0.00 0.10 0.01 -0.78 -1.01 0.00 0.00 177.57 175.89 2jo0 h ASP 22 N 0.53 0.11 -0.89 3.17 3.58 -1.80 -1.29 116.42 119.82 2jo0 h ASP 22 Ca 0.19 -0.27 0.24 0.00 0.42 0.00 0.00 57.03 57.62 2jo0 h ASP 22 Cb 0.05 -0.03 -0.14 0.00 1.72 0.00 0.00 39.33 40.93 2jo0 h ASP 22 CO -0.11 0.35 0.28 0.03 -2.88 0.00 0.00 179.24 176.91 2jo0 h ARG 23 N -0.14 0.23 0.09 0.28 2.47 -1.75 0.17 114.38 115.72 2jo0 h ARG 23 Ca 0.02 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jo0 h ARG 23 Cb 0.29 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2jo0 h ARG 23 CO 0.00 0.15 -0.04 0.35 0.56 0.00 0.00 179.97 180.99 2jo0 h PHE 24 N 0.23 -0.11 -0.48 3.04 3.57 -1.16 -3.38 116.94 118.66 2jo0 h PHE 24 Ca 0.57 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.13 2jo0 h PHE 24 Cb 1.16 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2jo0 h PHE 24 CO -0.23 0.12 0.32 1.88 -2.23 0.00 0.00 178.31 178.17 2jo0 h TYR 25 N -1.01 0.39 -1.18 0.41 -1.99 -0.85 -2.39 116.97 110.35 2jo0 h TYR 25 Ca -0.01 0.01 0.45 0.00 2.00 0.00 0.00 58.73 61.18 2jo0 h TYR 25 Cb 0.28 -0.13 -0.16 0.00 2.00 0.00 0.00 36.73 38.72 2jo0 h TYR 25 CO 0.05 0.21 0.70 1.17 -0.00 0.00 0.00 178.16 180.29 2jo0 n LYS 26 N -4.47 -0.05 -0.07 4.88 0.00 0.57 -1.38 118.16 117.63 2jo0 n LYS 26 Ca 0.06 1.33 -0.16 0.00 0.00 0.00 0.00 58.31 59.55 2jo0 n LYS 26 Cb 0.26 -2.49 -0.05 0.00 0.00 0.00 0.00 35.03 32.75 2jo0 n LYS 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2jo0 n THR 27 N -5.02 0.88 -0.34 3.15 -2.24 -0.96 -4.57 114.28 105.18 2jo0 n THR 27 Ca 0.39 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 2jo0 n THR 27 Cb 1.42 -1.73 0.17 0.00 -2.10 0.00 0.00 70.33 68.09 2jo0 n THR 27 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jo0 n LEU 28 N -3.71 -0.30 0.00 3.22 0.00 -0.94 -0.75 117.00 114.51 2jo0 n LEU 28 Ca -0.28 1.65 0.02 0.00 0.00 0.00 0.00 56.01 57.39 2jo0 n LEU 28 Cb 0.68 -0.52 0.10 0.00 0.00 0.00 0.00 43.42 43.68 2jo0 n LEU 28 CO 0.02 -1.60 0.27 -2.11 0.00 0.00 0.00 177.39 173.97 2jo0 n ARG 29 N -5.54 0.19 0.00 1.96 -4.01 -0.48 -0.70 116.66 108.08 2jo0 n ARG 29 Ca 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.98 2jo0 n ARG 29 Cb 0.54 -1.27 0.00 0.00 -3.04 0.00 0.00 32.46 28.69 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 n ALA 30 N -0.77 0.43 0.00 2.89 0.00 0.07 -4.69 120.51 118.44 2jo0 n ALA 30 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jo0 n ALA 30 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2jo0 n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jo0 n GLU 31 N -0.11 2.46 -0.00 0.00 0.28 -1.00 -4.81 120.64 117.47 2jo0 n GLU 31 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2jo0 n GLU 31 Cb 0.09 -0.75 -0.01 0.00 1.43 0.00 0.00 31.44 32.20 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2jo0 n GLN 32 N -1.01 4.63 0.00 3.44 1.13 -0.19 -5.04 117.38 120.34 2jo0 n GLN 32 Ca 0.00 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jo0 n GLN 32 Cb 0.13 -0.72 0.00 0.00 0.11 0.00 0.00 30.24 29.77 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jo0 n ALA 33 N -1.19 0.00 -0.83 -1.58 0.00 0.12 -4.86 120.51 112.17 2jo0 n ALA 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 2jo0 n ALA 33 Cb 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jo0 n SER 34 N 0.00 5.16 0.00 0.00 2.88 -1.26 -4.58 113.62 115.81 2jo0 n SER 34 Ca 0.00 -2.31 0.03 0.00 -1.33 0.00 0.00 58.87 55.26 2jo0 n SER 34 Cb 0.00 -1.15 0.19 0.00 -0.75 0.00 0.00 64.21 62.50 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jo0 n GLN 35 N 3.43 0.53 -1.89 -1.46 0.00 -1.26 -4.49 117.38 112.24 2jo0 n GLN 35 Ca 0.45 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 57.16 2jo0 n GLN 35 Cb 0.37 -1.18 0.09 0.00 0.00 0.00 0.00 30.24 29.52 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2jo0 s GLU 36 N -2.00 1.92 0.24 3.69 2.12 -1.26 -4.95 118.70 118.46 2jo0 s GLU 36 Ca 0.09 0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 2jo0 s GLU 36 Cb 0.04 -1.95 0.30 0.00 0.26 0.00 0.00 34.13 32.79 2jo0 s GLU 36 CO 0.07 -1.62 1.87 0.28 -0.54 0.00 0.00 175.26 175.31 2jo0 h VAL 37 N -1.08 1.09 0.00 3.70 2.07 -2.00 -2.22 116.25 117.81 2jo0 h VAL 37 Ca -0.46 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2jo0 h VAL 37 Cb 1.33 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2jo0 h VAL 37 CO 0.65 0.19 0.01 1.17 0.02 0.00 0.00 177.57 179.62 2jo0 n LYS 38 N -4.58 0.35 0.08 1.57 4.81 -1.26 -4.65 118.16 114.49 2jo0 n LYS 38 Ca 0.12 -0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 2jo0 n LYS 38 Cb 0.14 -1.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 2jo0 n LYS 38 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2jo0 h ASN 39 N 3.13 -0.95 -0.02 3.14 -1.07 -1.62 -3.40 115.58 114.78 2jo0 h ASN 39 Ca 0.00 0.12 -0.13 0.00 0.07 0.00 0.00 56.30 56.36 2jo0 h ASN 39 Cb 0.34 0.37 0.03 0.00 -2.07 0.00 0.00 38.32 37.00 2jo0 h ASN 39 CO 0.03 -0.40 0.68 0.00 0.07 0.00 0.00 177.43 177.81 2jo0 n ALA 40 N -2.74 0.38 -1.73 4.14 0.00 -1.26 -4.36 120.51 114.93 2jo0 n ALA 40 Ca -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2jo0 n ALA 40 Cb 0.33 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2jo0 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n MET 41 N 6.17 0.00 -2.58 0.00 0.00 -1.26 -5.11 117.12 114.33 2jo0 n MET 41 Ca 0.23 -0.63 -0.06 0.00 0.00 0.00 0.00 57.70 57.23 2jo0 n MET 41 Cb 0.42 -0.38 -0.00 0.00 0.00 0.00 0.00 33.22 33.26 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jo0 n THR 42 N 0.00 0.00 0.26 3.17 -2.24 -1.26 -5.02 114.28 109.18 2jo0 n THR 42 Ca 0.00 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.22 2jo0 n THR 42 Cb 0.60 0.52 0.66 0.00 -2.10 0.00 0.00 70.33 70.01 2jo0 n THR 42 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2jo0 h GLU 43 N 0.00 0.00 -6.01 -0.78 9.09 -1.99 -3.45 114.58 111.43 2jo0 h GLU 43 Ca -0.15 0.00 -0.80 0.00 0.05 0.00 0.00 59.36 58.46 2jo0 h GLU 43 Cb 0.60 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.74 2jo0 h GLU 43 CO 0.19 0.00 0.21 -2.37 0.05 0.00 0.00 179.01 177.09 2jo0 n THR 44 N -3.02 0.00 -2.33 -1.06 5.66 -1.26 -4.98 114.28 107.29 2jo0 n THR 44 Ca 0.02 -0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.02 2jo0 n THR 44 Cb 0.58 -0.15 -0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jo0 n LEU 45 N 2.07 0.41 0.00 1.09 -0.00 -1.26 -4.55 117.00 114.76 2jo0 n LEU 45 Ca 0.22 -1.91 -0.00 0.00 -0.00 0.00 0.00 56.01 54.32 2jo0 n LEU 45 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.49 2jo0 n LEU 45 CO 0.67 0.74 0.35 0.00 -0.00 0.00 0.00 177.39 179.15 2jo0 n LEU 46 N 0.33 0.00 -3.76 1.47 -0.00 -1.26 -4.99 117.00 108.79 2jo0 n LEU 46 Ca -0.03 -0.39 -0.13 0.00 -0.00 0.00 0.00 56.01 55.47 2jo0 n LEU 46 Cb 0.99 0.91 -0.12 0.00 -0.00 0.00 0.00 43.42 45.20 2jo0 n LEU 46 CO -0.06 -0.13 -0.07 -0.69 -0.00 0.00 0.00 177.39 176.44 2jo0 s VAL 47 N -2.27 -0.01 0.12 1.47 1.01 -1.26 -4.98 120.40 114.48 2jo0 s VAL 47 Ca 0.10 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 2jo0 s VAL 47 Cb -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 2jo0 s VAL 47 CO 0.01 0.02 1.68 1.56 0.00 0.00 0.00 175.10 178.36 2jo0 h GLN 48 N 6.14 -0.20 0.00 2.72 4.20 -1.95 -2.92 115.11 123.10 2jo0 h GLN 48 Ca -0.30 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2jo0 h GLN 48 Cb 1.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2jo0 h GLN 48 CO 0.34 -0.13 0.00 -1.71 -0.67 0.00 0.00 178.83 176.66 2jo0 n ASN 49 N -5.27 0.00 -4.53 1.46 5.15 -1.26 -4.79 115.26 106.02 2jo0 n ASN 49 Ca -0.04 -0.50 -0.39 0.00 -0.60 0.00 0.00 54.58 53.05 2jo0 n ASN 49 Cb 0.19 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.47 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 50 N -0.76 -0.61 -2.16 5.20 0.00 -1.10 -4.86 120.51 116.22 2jo0 n ALA 50 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 2jo0 n ALA 50 Cb 0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jo0 s ASN 51 N -1.07 5.19 0.57 0.00 2.20 -1.26 -4.95 114.94 115.62 2jo0 s ASN 51 Ca 0.69 -0.70 0.27 0.00 -0.94 0.00 0.00 52.86 52.18 2jo0 s ASN 51 Cb -0.48 -0.45 1.58 0.00 -2.00 0.00 0.00 41.25 39.90 2jo0 s ASN 51 CO 0.54 -0.77 2.08 1.55 -2.94 0.00 0.00 177.10 177.55 2jo0 h PRO 52 N 0.83 0.00 0.00 3.55 0.13 -1.95 -3.00 132.00 131.56 2jo0 h PRO 52 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jo0 h PRO 52 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jo0 h PRO 52 CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 2jo0 n ASP 53 N -3.95 0.00 0.16 1.44 9.92 -1.26 -1.24 116.55 121.62 2jo0 n ASP 53 Ca 0.03 0.91 -0.14 0.00 -0.53 0.00 0.00 54.79 55.06 2jo0 n ASP 53 Cb 0.36 -0.41 -0.06 0.00 -0.64 0.00 0.00 41.12 40.36 2jo0 n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jo0 h LYS 55 N -0.51 0.01 0.00 0.00 1.57 -1.60 0.34 116.57 116.37 2jo0 h LYS 55 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2jo0 h LYS 55 Cb 0.48 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jo0 h LYS 55 CO -0.07 0.00 -0.08 1.15 -0.57 0.00 0.00 179.45 179.89 2jo0 h THR 56 N 0.01 0.17 0.00 -0.16 2.02 -1.01 -2.88 112.91 111.06 2jo0 h THR 56 Ca 0.41 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2jo0 h THR 56 Cb 0.65 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2jo0 h THR 56 CO -0.86 0.08 -0.10 0.40 0.37 0.00 0.00 175.52 175.42 2jo0 h ILE 57 N 0.00 0.00 0.00 3.11 2.04 0.49 -3.37 117.51 119.78 2jo0 h ILE 57 Ca -0.00 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2jo0 h ILE 57 Cb 0.77 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jo0 h ILE 57 CO 0.01 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2jo0 h LEU 58 N -0.75 0.00 -1.91 1.44 4.07 -1.08 -0.23 115.31 116.85 2jo0 h LEU 58 Ca 0.00 0.00 0.50 0.00 0.08 0.00 0.00 57.88 58.46 2jo0 h LEU 58 Cb 0.10 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.76 2jo0 h LEU 58 CO 0.00 0.00 1.21 0.11 -1.08 0.00 0.00 178.44 178.68 2jo0 h LYS 59 N 0.00 0.01 0.00 1.13 1.79 -1.66 -1.32 116.57 116.52 2jo0 h LYS 59 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jo0 h LYS 59 Cb 0.05 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2jo0 h LYS 59 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 2jo0 n ALA 60 N -2.83 1.70 -2.29 3.86 0.00 -0.17 -4.64 120.51 116.14 2jo0 n ALA 60 Ca 0.39 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 2jo0 n ALA 60 Cb 1.76 0.00 0.02 0.00 0.00 0.00 0.00 19.45 21.22 2jo0 n ALA 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jo0 n LEU 61 N -0.01 4.27 -3.09 0.00 0.00 -0.51 -4.84 117.00 112.83 2jo0 n LEU 61 Ca 0.00 -4.63 -0.38 0.00 0.00 0.00 0.00 56.01 51.00 2jo0 n LEU 61 Cb 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 43.42 43.30 2jo0 n LEU 61 CO 0.00 1.99 1.29 0.61 0.00 0.00 0.00 177.39 181.29 2jo0 n GLY 62 N -0.59 5.76 1.75 -3.96 0.00 -1.14 -4.19 105.19 102.82 2jo0 n GLY 62 Ca 0.36 -2.56 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 2jo0 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 63 N -0.38 1.09 -0.75 1.61 -0.04 -1.26 -4.77 135.00 130.51 2jo0 n PRO 63 Ca 0.49 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2jo0 n PRO 63 Cb 0.29 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2jo0 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jo0 n ALA 64 N 1.91 0.00 0.10 0.55 0.00 -1.26 -4.55 120.51 117.26 2jo0 n ALA 64 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jo0 n ALA 64 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2jo0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n ALA 65 N 0.84 3.00 0.24 0.00 0.00 -1.26 -4.92 120.51 118.41 2jo0 n ALA 65 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2jo0 n ALA 65 Cb 0.34 0.05 0.77 0.00 0.00 0.00 0.00 19.45 20.62 2jo0 n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jo0 h THR 66 N 0.00 0.00 -0.65 0.00 2.02 -1.85 -2.06 112.91 110.37 2jo0 h THR 66 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2jo0 h THR 66 Cb 0.04 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 2jo0 h THR 66 CO 0.00 0.00 0.30 0.25 0.37 0.00 0.00 175.52 176.44 2jo0 h LEU 67 N 0.00 0.37 -1.79 2.58 6.46 -1.92 -2.34 115.31 118.68 2jo0 h LEU 67 Ca 0.00 0.06 0.26 0.00 -0.12 0.00 0.00 57.88 58.08 2jo0 h LEU 67 Cb 0.20 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2jo0 h LEU 67 CO 0.00 0.22 0.66 -0.33 -0.62 0.00 0.00 178.44 178.37 2jo0 h GLU 68 N 0.52 0.15 0.00 1.25 5.08 -1.76 0.12 114.58 119.95 2jo0 h GLU 68 Ca 0.32 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2jo0 h GLU 68 Cb 0.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jo0 h GLU 68 CO -0.27 0.10 -0.25 1.05 -1.00 0.00 0.00 179.01 178.64 2jo0 h GLU 69 N 0.16 0.00 0.00 2.33 4.11 -1.70 -3.40 114.58 116.08 2jo0 h GLU 69 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2jo0 h GLU 69 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2jo0 h GLU 69 CO -0.09 0.89 0.00 0.00 0.07 0.00 0.00 179.01 179.89 2jo0 h MET 70 N -1.00 0.00 -0.93 1.06 -0.00 -0.39 0.92 114.93 114.59 2jo0 h MET 70 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 59.78 2jo0 h MET 70 Cb 0.97 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.41 2jo0 h MET 70 CO -0.04 0.00 -0.36 1.98 -0.00 0.00 0.00 176.91 178.49 2jo0 h MET 71 N 0.00 -0.03 0.00 -0.10 1.85 -1.09 -3.26 114.93 112.30 2jo0 h MET 71 Ca 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 2jo0 h MET 71 Cb 0.45 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 2jo0 h MET 71 CO 0.00 -0.02 -1.55 2.41 -0.40 0.00 0.00 176.91 177.35 2jo0 n THR 72 N -5.49 0.43 0.27 -0.77 -1.04 -1.04 -4.60 114.28 102.05 2jo0 n THR 72 Ca 0.10 -0.33 0.18 0.00 -2.04 0.00 0.00 64.05 61.96 2jo0 n THR 72 Cb 0.40 -0.47 0.90 0.00 -1.82 0.00 0.00 70.33 69.34 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 h ALA 73 N 0.55 1.48 0.08 2.41 0.00 -0.86 -0.28 119.26 122.65 2jo0 h ALA 73 Ca -0.17 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 2jo0 h ALA 73 Cb 1.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2jo0 h ALA 73 CO 0.01 -0.29 -1.95 0.00 0.00 0.00 0.00 179.25 177.03 2jo0 h GLN 75 N 0.05 0.00 0.00 0.00 3.07 -1.35 -1.21 115.11 115.66 2jo0 h GLN 75 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 2jo0 h GLN 75 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.59 2jo0 h GLN 75 CO 0.08 0.04 0.00 0.78 0.09 0.00 0.00 178.83 179.81 2jo0 h GLY 76 N 0.69 0.00 2.00 0.06 0.00 -1.43 -1.15 103.07 103.25 2jo0 h GLY 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jo0 h GLY 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.09 2jo0 n VAL 77 N -3.03 0.49 -1.46 4.60 3.14 -0.46 -5.05 118.33 116.56 2jo0 n VAL 77 Ca -0.03 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2jo0 n VAL 77 Cb 0.07 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 2jo0 n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jo0 n GLY 78 N 0.99 0.55 2.68 7.55 0.00 -0.44 -4.72 105.19 111.81 2jo0 n GLY 78 Ca 0.05 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2jo0 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jo0 n GLY 79 N 0.00 4.62 3.56 -0.02 0.00 -1.26 -4.78 105.19 107.32 2jo0 n GLY 79 Ca 0.00 -2.70 -0.40 0.00 0.00 0.00 0.00 46.02 42.92 2jo0 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jo0 s PRO 80 N -2.18 2.83 0.00 1.61 0.04 -1.26 -4.28 135.00 131.76 2jo0 s PRO 80 Ca 0.34 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2jo0 s PRO 80 Cb 0.07 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2jo0 s PRO 80 CO -0.04 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 174.93 2jo0 n GLY 81 N 5.61 1.57 4.33 0.56 0.00 -1.26 -4.69 105.19 111.30 2jo0 n GLY 81 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jo0 n HIS 82 N -1.02 0.00 -1.35 1.61 1.44 -1.26 -4.88 115.22 109.75 2jo0 n HIS 82 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 2jo0 n HIS 82 Cb 0.00 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 29.98 2jo0 n HIS 82 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2jo0 n LYS 83 N -0.08 0.06 -1.69 -1.40 0.00 -1.26 -4.93 118.16 108.87 2jo0 n LYS 83 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 58.31 56.81 2jo0 n LYS 83 Cb 0.00 -3.07 0.16 0.00 0.00 0.00 0.00 35.03 32.13 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jo0 s ALA 84 N 12.21 1.94 -0.07 3.14 0.00 -1.26 -5.03 121.76 132.69 2jo0 s ALA 84 Ca 0.59 -0.88 0.24 0.00 0.00 0.00 0.00 51.96 51.91 2jo0 s ALA 84 Cb -0.02 -2.90 0.44 0.00 0.00 0.00 0.00 23.12 20.65 2jo0 s ALA 84 CO 0.15 -2.43 1.16 -2.13 0.00 0.00 0.00 175.76 172.51 2jo0 n ARG 85 N -3.84 0.54 -0.92 0.00 0.00 -1.26 -5.13 116.66 106.06 2jo0 n ARG 85 Ca 0.11 -2.44 -0.32 0.00 -0.00 0.00 0.00 57.85 55.19 2jo0 n ARG 85 Cb 0.60 -0.49 0.15 0.00 0.00 0.00 0.00 32.46 32.71 2jo0 n ARG 85 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2jo0 n VAL 86 N 0.13 1.16 -0.60 5.15 3.14 -1.26 -5.35 118.33 120.70 2jo0 n VAL 86 Ca 0.08 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2jo0 n VAL 86 Cb 1.04 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55