#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jng h ARG 5 N 0.00 0.00 -0.04 2.12 9.65 -2.00 -1.68 114.38 122.43 2jng h ARG 5 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jng h ARG 5 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2jng h ARG 5 CO 0.00 0.00 0.00 0.43 2.80 0.00 0.00 179.97 183.20 2jng n SER 6 N -4.26 0.04 0.26 -3.80 7.64 -1.26 -2.74 113.62 109.50 2jng n SER 6 Ca -0.02 -1.56 0.16 0.00 1.01 0.00 0.00 58.87 58.45 2jng n SER 6 Cb 0.12 -0.02 0.56 0.00 -1.01 0.00 0.00 64.21 63.87 2jng n SER 6 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jng h GLU 7 N 0.01 0.00 -7.35 1.43 4.39 -1.71 -3.44 114.58 107.91 2jng h GLU 7 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2jng h GLU 7 Cb 0.02 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.79 2jng h GLU 7 CO 0.00 0.02 0.31 -0.06 -1.16 0.00 0.00 179.01 178.13 2jng s PHE 8 N -3.57 2.68 0.21 4.33 0.40 -1.11 -4.95 117.98 115.97 2jng s PHE 8 Ca 0.02 1.32 -0.10 0.00 -0.60 0.00 0.00 56.93 57.57 2jng s PHE 8 Cb 0.08 -3.07 0.27 0.00 0.51 0.00 0.00 43.02 40.82 2jng s PHE 8 CO 0.58 -1.85 1.71 0.00 0.70 0.00 0.00 175.22 176.35 2jng h ALA 9 N -1.16 0.68 0.00 5.36 0.00 -1.92 -3.14 119.26 119.09 2jng h ALA 9 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jng h ALA 9 Cb 1.25 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jng h ALA 9 CO 0.56 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 2jng n SER 10 N -5.12 0.97 0.00 0.00 3.41 -1.26 -5.00 113.62 106.62 2jng n SER 10 Ca 0.08 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2jng n SER 10 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2jng n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jng n GLY 11 N -0.21 1.42 0.29 5.00 0.00 -1.19 -4.50 105.19 106.00 2jng n GLY 11 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2jng n GLY 11 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jng h ASN 12 N 0.00 0.00 -0.53 1.61 -1.24 -1.92 -0.59 115.58 112.91 2jng h ASN 12 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.16 2jng h ASN 12 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 2jng h ASN 12 CO 0.00 0.05 0.51 0.74 -1.29 0.00 0.00 177.43 177.43 2jng h THR 13 N 0.00 0.41 0.00 -3.57 2.02 -1.93 0.31 112.91 110.16 2jng h THR 13 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jng h THR 13 Cb 0.23 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2jng h THR 13 CO 0.01 0.00 -0.00 0.22 0.37 0.00 0.00 175.52 176.11 2jng h TYR 14 N 0.00 -0.00 -0.63 3.16 3.20 -1.45 0.13 116.97 121.38 2jng h TYR 14 Ca 0.25 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.26 2jng h TYR 14 Cb 1.27 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 2jng h TYR 14 CO 0.00 0.29 0.43 0.00 -1.64 0.00 0.00 178.16 177.24 2jng h ALA 15 N 0.70 2.24 -0.14 1.82 0.00 -0.65 -0.10 119.26 123.12 2jng h ALA 15 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2jng h ALA 15 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jng h ALA 15 CO 0.00 -0.40 -0.62 1.25 0.00 0.00 0.00 179.25 179.48 2jng h LEU 16 N 0.26 0.78 -0.09 0.00 5.85 -0.47 -2.47 115.31 119.17 2jng h LEU 16 Ca 0.30 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jng h LEU 16 Cb 0.83 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2jng h LEU 16 CO -0.07 1.28 0.05 0.22 -0.34 0.00 0.00 178.44 179.58 2jng h TYR 17 N 0.33 0.12 -0.64 1.25 3.20 0.68 0.31 116.97 122.22 2jng h TYR 17 Ca -0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2jng h TYR 17 Cb 1.25 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 2jng h TYR 17 CO 0.10 0.13 0.32 -0.24 -1.64 0.00 0.00 178.16 176.83 2jng h VAL 18 N 0.07 1.22 -0.46 1.81 3.04 -1.17 -0.63 116.25 120.13 2jng h VAL 18 Ca 0.03 -0.59 -0.08 0.00 -1.01 0.00 0.00 66.70 65.05 2jng h VAL 18 Cb 0.05 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 2jng h VAL 18 CO -0.01 0.25 -0.04 -0.09 -1.01 0.00 0.00 177.57 176.67 2jng h ARG 19 N 0.88 0.78 0.00 4.17 1.12 -1.21 0.41 114.38 120.54 2jng h ARG 19 Ca 0.22 -0.23 -0.09 0.00 -1.11 0.00 0.00 59.98 58.77 2jng h ARG 19 Cb 0.10 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2jng h ARG 19 CO -0.03 0.82 -0.44 0.22 -3.11 0.00 0.00 179.97 177.43 2jng h ASP 20 N 0.72 0.00 0.13 -3.80 3.58 0.11 -3.25 116.42 113.92 2jng h ASP 20 Ca 0.13 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.22 2jng h ASP 20 Cb 0.50 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2jng h ASP 20 CO 0.03 0.44 -2.00 0.41 -2.88 0.00 0.00 179.24 175.23 2jng n THR 21 N -3.80 1.78 -2.06 2.25 -1.04 -0.29 -4.81 114.28 106.32 2jng n THR 21 Ca -0.01 -0.66 -0.40 0.00 -2.04 0.00 0.00 64.05 60.94 2jng n THR 21 Cb 0.49 -1.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 2jng n THR 21 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jng s LEU 22 N -7.04 3.37 0.30 -4.42 1.43 0.11 -4.97 118.68 107.46 2jng s LEU 22 Ca -0.22 0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 2jng s LEU 22 Cb 0.07 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.30 2jng s LEU 22 CO 0.77 -2.11 0.95 -1.10 0.23 0.00 0.00 176.35 175.09 2jng s GLN 23 N 6.47 4.66 -0.43 1.70 -1.52 -1.26 -4.91 119.66 124.36 2jng s GLN 23 Ca 0.70 1.40 -0.34 0.00 -1.95 0.00 0.00 55.36 55.16 2jng s GLN 23 Cb -0.15 -2.95 -0.12 0.00 -0.22 0.00 0.00 33.01 29.56 2jng s GLN 23 CO 0.25 0.34 2.26 -2.30 -0.25 0.00 0.00 175.29 175.60 2jng n PRO 24 N 0.85 0.94 0.00 2.91 -0.02 -1.26 -0.21 135.00 138.21 2jng n PRO 24 Ca 0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2jng n PRO 24 Cb 0.49 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2jng n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jng n GLY 25 N 6.52 1.92 3.77 -1.23 0.00 0.37 -5.02 105.19 111.51 2jng n GLY 25 Ca 0.44 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 2jng n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jng s MET 26 N 0.00 4.06 0.30 1.61 -1.94 0.71 -4.66 119.30 119.38 2jng s MET 26 Ca 0.00 1.97 -0.17 0.00 -1.71 0.00 0.00 55.69 55.78 2jng s MET 26 Cb 0.00 -2.75 -0.09 0.00 2.01 0.00 0.00 34.83 34.00 2jng s MET 26 CO 0.00 -0.35 0.76 0.50 -0.01 0.00 0.00 175.02 175.92 2jng s ARG 27 N -2.21 4.12 0.13 2.03 3.52 0.39 -0.08 118.95 126.85 2jng s ARG 27 Ca 0.56 0.80 0.06 0.00 -0.13 0.00 0.00 55.73 57.02 2jng s ARG 27 Cb -0.34 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2jng s ARG 27 CO 0.43 0.22 -0.14 0.14 -0.81 0.00 0.00 175.30 175.14 2jng s VAL 28 N -1.84 1.37 -0.04 7.11 -7.23 0.16 -1.16 120.40 118.77 2jng s VAL 28 Ca 0.51 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2jng s VAL 28 Cb -0.12 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 2jng s VAL 28 CO 0.18 -0.43 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.70 2jng s ARG 29 N -2.77 2.22 -0.28 4.82 3.52 0.87 -0.18 118.95 127.16 2jng s ARG 29 Ca 0.10 -0.86 -0.24 0.00 -0.13 0.00 0.00 55.73 54.60 2jng s ARG 29 Cb -0.04 -1.99 -0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2jng s ARG 29 CO 0.03 0.44 0.82 1.41 -0.81 0.00 0.00 175.30 177.19 2jng s MET 30 N -0.33 4.07 0.11 5.12 -2.45 0.78 -0.22 119.30 126.38 2jng s MET 30 Ca 0.02 0.78 0.23 0.00 -1.25 0.00 0.00 55.69 55.47 2jng s MET 30 Cb -0.12 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.24 2jng s MET 30 CO 0.01 -0.61 0.94 1.28 1.05 0.00 0.00 175.02 177.69 2jng n LEU 31 N 6.15 0.60 -4.38 4.11 4.77 -0.79 -0.78 117.00 126.67 2jng n LEU 31 Ca 0.05 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 2jng n LEU 31 Cb 0.48 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2jng n LEU 31 CO 0.49 -0.07 -0.52 -0.62 -1.33 0.00 0.00 177.39 175.34 2jng s ASP 32 N -4.70 3.10 -0.26 -1.43 2.15 -1.26 -4.73 116.67 109.54 2jng s ASP 32 Ca -0.00 -0.84 -0.11 0.00 0.43 0.00 0.00 52.55 52.03 2jng s ASP 32 Cb 0.12 -0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.48 2jng s ASP 32 CO 0.81 0.07 0.17 -0.62 -0.17 0.00 0.00 175.17 175.44 2jng s ASP 33 N -2.55 6.00 -0.30 -0.34 -1.08 -1.26 -3.23 116.67 113.91 2jng s ASP 33 Ca 0.17 0.02 -0.01 0.00 -0.52 0.00 0.00 52.55 52.21 2jng s ASP 33 Cb -0.08 -2.10 0.19 0.00 -1.46 0.00 0.00 42.92 39.47 2jng s ASP 33 CO 0.08 -0.01 0.63 -0.47 0.52 0.00 0.00 175.17 175.92 2jng s TYR 34 N 1.50 -1.57 0.00 -5.34 5.04 0.04 -4.95 117.35 112.07 2jng s TYR 34 Ca 0.07 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2jng s TYR 34 Cb -0.15 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.67 2jng s TYR 34 CO 0.08 -0.87 0.00 -1.91 -1.34 0.00 0.00 175.55 171.52 2jng n GLU 35 N 5.43 0.00 0.00 4.97 2.13 -1.26 -2.30 120.64 129.61 2jng n GLU 35 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jng n GLU 35 Cb 0.52 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2jng n GLU 35 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jng n GLU 36 N -0.86 0.00 -3.89 5.31 4.07 -1.26 -5.14 120.64 118.88 2jng n GLU 36 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 2jng n GLU 36 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2jng s ILE 37 N -1.72 5.34 0.27 6.31 -1.09 -0.97 -5.11 121.20 124.22 2jng s ILE 37 Ca 0.00 -0.41 0.10 0.00 -2.23 0.00 0.00 60.65 58.11 2jng s ILE 37 Cb 0.00 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2jng s ILE 37 CO 0.00 0.06 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.27 2jng s SER 38 N -2.71 4.28 0.15 3.58 0.01 -1.26 -0.78 113.70 116.97 2jng s SER 38 Ca 0.36 -0.74 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 2jng s SER 38 Cb -0.12 -0.70 -0.08 0.00 0.21 0.00 0.00 66.02 65.33 2jng s SER 38 CO 0.28 0.02 1.34 0.00 0.41 0.00 0.00 173.24 175.29 2jng s ALA 39 N -2.34 3.55 0.00 1.44 0.00 -1.20 -2.49 121.76 120.72 2jng s ALA 39 Ca 0.31 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2jng s ALA 39 Cb -0.06 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2jng s ALA 39 CO 0.18 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2jng n GLY 40 N 2.95 0.62 3.78 0.00 0.00 0.04 -5.00 105.19 107.58 2jng n GLY 40 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2jng n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jng s ASP 41 N -1.91 5.66 0.03 1.61 1.01 -1.04 -4.83 116.67 117.21 2jng s ASP 41 Ca 0.00 2.13 0.08 0.00 0.71 0.00 0.00 52.55 55.46 2jng s ASP 41 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2jng s ASP 41 CO 0.00 -1.26 -0.22 -0.70 0.21 0.00 0.00 175.17 173.20 2jng s GLU 42 N -3.43 1.57 0.26 8.23 2.12 -1.26 -0.16 118.70 126.03 2jng s GLU 42 Ca 0.71 -0.96 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 2jng s GLU 42 Cb -0.23 -1.67 0.01 0.00 0.26 0.00 0.00 34.13 32.50 2jng s GLU 42 CO 0.29 0.43 0.38 0.41 -0.54 0.00 0.00 175.26 176.24 2jng n GLY 43 N 1.95 2.26 3.13 -1.50 0.00 0.75 -0.41 105.19 111.37 2jng n GLY 43 Ca -0.17 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 2jng n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jng s GLU 44 N -2.53 0.90 -0.28 1.61 2.12 0.10 0.38 118.70 121.01 2jng s GLU 44 Ca 0.20 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 2jng s GLU 44 Cb -0.01 -0.90 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 2jng s GLU 44 CO 0.15 0.22 0.74 0.12 -0.54 0.00 0.00 175.26 175.95 2jng s PHE 45 N -0.85 3.25 -0.17 5.30 5.36 0.88 -2.26 117.98 129.50 2jng s PHE 45 Ca 0.01 0.86 -0.14 0.00 -0.96 0.00 0.00 56.93 56.71 2jng s PHE 45 Cb -0.08 -3.07 -0.08 0.00 -0.34 0.00 0.00 43.02 39.45 2jng s PHE 45 CO 0.01 -0.46 -0.09 0.54 -1.46 0.00 0.00 175.22 173.76 2jng n ARG 46 N 6.01 0.50 0.00 10.12 1.74 -1.17 -0.48 116.66 133.38 2jng n ARG 46 Ca 0.03 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2jng n ARG 46 Cb 0.48 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2jng n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jng n GLN 47 N -4.54 -0.24 -4.42 5.56 -0.00 -1.20 -4.62 117.38 107.92 2jng n GLN 47 Ca -0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.61 2jng n GLN 47 Cb 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 30.24 30.57 2jng n GLN 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2jng s SER 48 N 0.00 3.17 -0.43 2.61 1.04 -1.26 -0.33 113.70 118.50 2jng s SER 48 Ca 0.00 -1.02 -0.28 0.00 0.48 0.00 0.00 55.95 55.12 2jng s SER 48 Cb 0.00 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.91 2jng s SER 48 CO 0.00 -0.05 1.09 0.20 0.98 0.00 0.00 173.24 175.46 2jng s ASN 49 N -3.42 6.70 0.00 7.02 0.01 0.57 -3.42 114.94 122.39 2jng s ASN 49 Ca 0.27 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 2jng s ASN 49 Cb -0.03 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2jng s ASN 49 CO 0.12 -1.11 0.00 0.59 -1.51 0.00 0.00 177.10 175.18 2jng n ASN 50 N 7.46 0.00 0.00 -1.22 3.02 -1.26 -2.68 115.26 120.58 2jng n ASN 50 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2jng n ASN 50 Cb 0.48 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2jng n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jng n GLY 51 N -2.00 1.13 0.30 7.41 0.00 -1.22 -5.09 105.19 105.72 2jng n GLY 51 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 2jng n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jng n VAL 52 N -2.25 0.00 -0.28 1.61 0.24 -1.09 -5.03 118.33 111.53 2jng n VAL 52 Ca 0.00 -0.19 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 2jng n VAL 52 Cb 0.12 -0.03 0.09 0.00 -1.47 0.00 0.00 33.84 32.55 2jng n VAL 52 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2jng n PRO 53 N -0.17 -0.09 -1.56 7.34 -0.01 -1.26 -4.24 135.00 135.01 2jng n PRO 53 Ca -0.02 1.18 -0.41 0.00 -0.01 0.00 0.00 63.50 64.24 2jng n PRO 53 Cb 0.05 -1.75 -0.04 0.00 -0.01 0.00 0.00 33.50 31.75 2jng n PRO 53 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2jng n PRO 54 N -5.21 1.43 -5.13 0.52 -0.04 -1.26 -4.27 135.00 121.04 2jng n PRO 54 Ca 0.11 0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 63.54 2jng n PRO 54 Cb 0.37 -3.21 -0.16 0.00 -0.04 0.00 0.00 33.50 30.45 2jng n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jng s VAL 55 N 9.96 1.84 -0.38 0.52 0.11 -1.24 -0.31 120.40 130.90 2jng s VAL 55 Ca 1.02 -0.96 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 2jng s VAL 55 Cb -0.34 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 2jng s VAL 55 CO 0.33 0.52 0.26 -1.58 -3.33 0.00 0.00 175.10 171.29 2jng s GLN 56 N -0.20 3.13 -0.07 1.54 0.74 0.55 -0.67 119.66 124.67 2jng s GLN 56 Ca -0.01 -0.90 0.05 0.00 0.05 0.00 0.00 55.36 54.56 2jng s GLN 56 Cb -0.12 -3.85 -0.00 0.00 1.10 0.00 0.00 33.01 30.13 2jng s GLN 56 CO 0.02 -0.62 -0.22 0.08 -0.55 0.00 0.00 175.29 173.99 2jng s VAL 57 N 1.67 1.88 -0.18 1.34 1.01 -0.29 -3.02 120.40 122.80 2jng s VAL 57 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2jng s VAL 57 Cb -0.18 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2jng s VAL 57 CO 0.09 0.52 0.23 0.12 0.00 0.00 0.00 175.10 176.07 2jng s PHE 58 N 0.08 3.44 -0.27 5.22 5.36 -0.96 -0.77 117.98 130.08 2jng s PHE 58 Ca -0.09 0.50 -0.12 0.00 -0.96 0.00 0.00 56.93 56.25 2jng s PHE 58 Cb -0.15 -2.28 -0.05 0.00 -0.34 0.00 0.00 43.02 40.21 2jng s PHE 58 CO 0.05 0.25 0.24 -1.58 -1.46 0.00 0.00 175.22 172.73 2jng s TRP 59 N 0.44 3.24 0.07 10.12 0.52 -1.05 0.01 118.94 132.29 2jng s TRP 59 Ca 0.13 0.23 -0.26 0.00 0.02 0.00 0.00 56.10 56.22 2jng s TRP 59 Cb -0.12 -2.43 -0.17 0.00 -1.15 0.00 0.00 33.47 29.61 2jng s TRP 59 CO 0.02 -0.15 1.64 0.93 0.02 0.00 0.00 176.95 179.41 2jng h GLU 60 N 8.19 -0.31 -0.60 4.98 4.39 -1.05 0.52 114.58 130.69 2jng h GLU 60 Ca -0.34 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.32 2jng h GLU 60 Cb 1.18 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2jng h GLU 60 CO 0.59 -0.17 0.13 0.66 -1.16 0.00 0.00 179.01 179.07 2jng h SER 61 N -0.37 0.89 0.00 1.42 4.64 -1.91 -3.31 113.55 114.91 2jng h SER 61 Ca -0.03 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2jng h SER 61 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2jng h SER 61 CO 0.05 0.88 -0.74 0.74 -0.87 0.00 0.00 176.83 176.89 2jng h THR 62 N 0.91 0.54 0.00 2.95 2.02 -1.82 -3.49 112.91 114.01 2jng h THR 62 Ca 0.19 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.75 2jng h THR 62 Cb 0.34 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2jng h THR 62 CO 0.00 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.69 2jng n GLY 63 N 1.55 1.16 3.09 2.16 0.00 0.18 -5.05 105.19 108.28 2jng n GLY 63 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2jng n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jng s ARG 64 N -0.07 0.81 0.28 1.61 1.70 -1.25 -4.93 118.95 117.10 2jng s ARG 64 Ca 0.00 -0.61 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 2jng s ARG 64 Cb 0.00 -0.78 -0.09 0.00 -0.57 0.00 0.00 34.95 33.51 2jng s ARG 64 CO 0.00 0.20 0.93 0.99 -1.08 0.00 0.00 175.30 176.33 2jng s THR 65 N -0.70 4.17 -0.04 4.99 2.01 -1.26 -2.54 115.64 122.27 2jng s THR 65 Ca 0.01 1.92 -0.13 0.00 0.31 0.00 0.00 61.69 63.79 2jng s THR 65 Cb -0.07 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2jng s THR 65 CO 0.01 0.32 0.30 -0.47 -0.69 0.00 0.00 174.62 174.08 2jng s TYR 66 N -1.40 -0.21 -0.36 4.92 5.04 0.05 -4.99 117.35 120.39 2jng s TYR 66 Ca 0.45 0.39 -0.22 0.00 -2.44 0.00 0.00 57.07 55.26 2jng s TYR 66 Cb -0.22 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.19 2jng s TYR 66 CO 0.27 -0.32 0.71 -1.58 -1.34 0.00 0.00 175.55 173.29 2jng s TRP 67 N -0.92 3.13 0.00 4.97 0.51 -1.26 -1.14 118.94 124.23 2jng s TRP 67 Ca -0.10 0.44 0.00 0.00 -2.12 0.00 0.00 56.10 54.32 2jng s TRP 67 Cb -0.05 -3.27 0.00 0.00 -0.81 0.00 0.00 33.47 29.35 2jng s TRP 67 CO 0.03 -0.68 0.00 0.28 -0.51 0.00 0.00 176.95 176.07 2jng n VAL 68 N 5.69 0.00 -3.89 4.03 0.31 0.15 -4.86 118.33 119.76 2jng n VAL 68 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2jng n VAL 68 Cb 0.48 -0.45 -0.16 0.00 -0.91 0.00 0.00 33.84 32.81 2jng n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2jng s HIS 69 N 2.01 0.18 0.29 3.52 3.76 -1.26 -3.69 115.29 120.10 2jng s HIS 69 Ca 0.00 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 2jng s HIS 69 Cb 0.00 -0.27 0.47 0.00 1.11 0.00 0.00 32.58 33.90 2jng s HIS 69 CO 0.00 -0.08 1.91 -1.49 -0.85 0.00 0.00 174.74 174.23 2jng h TRP 70 N 6.95 1.10 0.00 1.40 4.06 -1.94 -2.27 115.95 125.25 2jng h TRP 70 Ca -0.39 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.59 2jng h TRP 70 Cb 1.15 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.94 2jng h TRP 70 CO 0.48 0.59 0.00 1.12 -3.56 0.00 0.00 178.44 177.07 2jng h HIS 71 N 1.10 0.00 -0.26 0.49 2.07 -1.94 -2.40 115.15 114.21 2jng h HIS 71 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 2jng h HIS 71 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 2jng h HIS 71 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 2jng n MET 72 N -2.98 2.13 -3.98 5.12 0.00 -0.86 -4.95 117.12 111.61 2jng n MET 72 Ca -0.02 -1.82 -0.35 0.00 0.00 0.00 0.00 57.70 55.52 2jng n MET 72 Cb 0.13 -1.28 -0.09 0.00 0.00 0.00 0.00 33.22 31.98 2jng n MET 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jng s LEU 73 N -1.01 3.88 -0.18 3.17 1.43 -0.90 -1.89 118.68 123.18 2jng s LEU 73 Ca 0.22 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2jng s LEU 73 Cb 0.12 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2jng s LEU 73 CO 0.17 0.19 0.11 -0.70 0.23 0.00 0.00 176.35 176.35 2jng s GLU 74 N 0.26 3.99 -0.17 1.70 2.12 0.69 -4.94 118.70 122.35 2jng s GLU 74 Ca 0.04 -0.25 -0.22 0.00 0.36 0.00 0.00 54.97 54.91 2jng s GLU 74 Cb -0.12 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2jng s GLU 74 CO 0.00 0.38 0.66 0.96 -0.54 0.00 0.00 175.26 176.72 2jng s ILE 75 N 0.12 5.01 -0.15 -3.70 -4.36 -1.26 -0.09 121.20 116.77 2jng s ILE 75 Ca 0.08 1.27 0.14 0.00 -0.26 0.00 0.00 60.65 61.88 2jng s ILE 75 Cb -0.12 -3.98 -0.20 0.00 1.25 0.00 0.00 42.46 39.41 2jng s ILE 75 CO -0.00 0.12 0.07 0.18 0.24 0.00 0.00 174.94 175.55 2jng n LEU 76 N 4.86 0.00 0.00 0.37 4.77 -0.58 -4.93 117.00 121.49 2jng n LEU 76 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jng n LEU 76 Cb 0.50 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2jng n LEU 76 CO 0.45 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2jng n GLY 77 N 1.98 2.64 3.57 -0.72 0.00 -0.31 -4.18 105.19 108.17 2jng n GLY 77 Ca -0.25 0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2jng n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jng s PHE 78 N 0.00 3.10 0.53 1.61 5.36 -1.26 -0.46 117.98 126.85 2jng s PHE 78 Ca 0.00 -0.10 0.33 0.00 -0.96 0.00 0.00 56.93 56.20 2jng s PHE 78 Cb 0.00 -1.93 1.48 0.00 -0.34 0.00 0.00 43.02 42.22 2jng s PHE 78 CO 0.00 0.13 1.85 1.05 -1.46 0.00 0.00 175.22 176.79 2jng h GLU 79 N 6.29 0.04 0.00 10.12 4.11 -1.98 -3.50 114.58 129.66 2jng h GLU 79 Ca -0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2jng h GLU 79 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2jng h GLU 79 CO 0.62 0.02 0.00 -0.85 0.07 0.00 0.00 179.01 178.87