#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 -0.20 0.03 -0.00 -2.00 -2.85 114.38 109.37 2jng h ARG 5 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2jng h ARG 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2jng h ARG 5 CO 0.00 0.23 0.00 0.43 0.00 0.00 0.00 179.97 180.63 2jng n SER 6 N -4.08 0.20 -0.42 7.04 7.64 -1.26 -4.08 113.62 118.66 2jng n SER 6 Ca -0.02 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2jng n SER 6 Cb 0.30 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2jng n SER 6 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jng n GLU 7 N -0.24 0.64 -0.21 1.43 0.28 -1.08 -3.52 120.64 117.94 2jng n GLU 7 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 2jng n GLU 7 Cb 0.05 -1.27 0.23 0.00 1.43 0.00 0.00 31.44 31.88 2jng n GLU 7 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2jng n PHE 8 N 0.07 -3.35 -0.26 -1.84 3.72 -1.26 -4.80 117.46 109.75 2jng n PHE 8 Ca 0.00 -0.60 0.05 0.00 -0.05 0.00 0.00 57.45 56.85 2jng n PHE 8 Cb 0.13 -1.04 0.16 0.00 -0.94 0.00 0.00 39.48 37.79 2jng n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jng h ALA 9 N -3.28 0.81 0.00 4.37 0.00 -1.99 -2.82 119.26 116.35 2jng h ALA 9 Ca -0.31 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jng h ALA 9 Cb 1.03 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jng h ALA 9 CO 0.18 -0.42 0.00 0.45 0.00 0.00 0.00 179.25 179.47 2jng n SER 10 N -5.32 0.74 0.00 0.00 2.88 -1.26 -4.96 113.62 105.70 2jng n SER 10 Ca 0.14 -1.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 2jng n SER 10 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2jng n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jng n GLY 11 N -0.18 0.41 0.20 0.46 0.00 -1.07 -4.92 105.19 100.09 2jng n GLY 11 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jng n GLY 11 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jng h ASN 12 N 0.00 0.68 -0.87 1.61 -1.07 -1.87 -2.52 115.58 111.54 2jng h ASN 12 Ca 0.00 -0.43 0.16 0.00 0.07 0.00 0.00 56.30 56.10 2jng h ASN 12 Cb 0.25 -0.19 -0.10 0.00 -2.07 0.00 0.00 38.32 36.21 2jng h ASN 12 CO 0.00 0.96 0.44 0.74 0.07 0.00 0.00 177.43 179.64 2jng h THR 13 N 0.40 0.68 -0.05 6.14 2.02 -1.95 0.42 112.91 120.56 2jng h THR 13 Ca 0.06 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2jng h THR 13 Cb 0.73 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2jng h THR 13 CO 0.05 0.11 -0.01 0.22 0.37 0.00 0.00 175.52 176.26 2jng h TYR 14 N 0.59 0.10 -0.95 3.16 3.20 -1.88 -0.76 116.97 120.42 2jng h TYR 14 Ca 0.49 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.46 2jng h TYR 14 Cb 0.75 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 2jng h TYR 14 CO -0.09 0.40 0.61 0.00 -1.64 0.00 0.00 178.16 177.43 2jng h ALA 15 N 0.69 1.60 -0.22 1.82 0.00 -0.89 -1.51 119.26 120.75 2jng h ALA 15 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2jng h ALA 15 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jng h ALA 15 CO 0.00 0.17 -0.02 1.25 0.00 0.00 0.00 179.25 180.65 2jng h LEU 16 N 0.92 0.39 0.32 0.00 5.85 0.05 -2.74 115.31 120.10 2jng h LEU 16 Ca 0.46 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2jng h LEU 16 Cb 0.50 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2jng h LEU 16 CO -0.23 0.63 -0.21 0.22 -0.34 0.00 0.00 178.44 178.52 2jng h TYR 17 N 0.14 -0.54 -0.74 1.25 3.20 -0.68 -3.08 116.97 116.51 2jng h TYR 17 Ca 0.06 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jng h TYR 17 Cb 0.45 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2jng h TYR 17 CO 0.04 -0.32 0.46 -0.39 -1.64 0.00 0.00 178.16 176.31 2jng h VAL 18 N -0.51 1.21 -0.88 1.81 -1.51 -1.31 0.56 116.25 115.62 2jng h VAL 18 Ca -0.03 -0.45 0.10 0.00 -1.23 0.00 0.00 66.70 65.09 2jng h VAL 18 Cb 0.43 0.16 -0.07 0.00 -2.13 0.00 0.00 31.29 29.68 2jng h VAL 18 CO 0.02 0.21 0.52 0.03 -1.23 0.00 0.00 177.57 177.13 2jng h ARG 19 N 1.02 0.85 0.10 5.19 3.08 -1.43 0.16 114.38 123.34 2jng h ARG 19 Ca 0.27 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 60.05 2jng h ARG 19 Cb -0.05 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.81 2jng h ARG 19 CO -0.05 0.56 -1.05 0.22 -1.07 0.00 0.00 179.97 178.58 2jng h ASP 20 N 0.87 0.35 0.69 7.04 3.58 -1.34 -3.39 116.42 124.22 2jng h ASP 20 Ca 0.42 -0.88 -0.26 0.00 0.42 0.00 0.00 57.03 56.73 2jng h ASP 20 Cb 0.36 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2jng h ASP 20 CO -0.24 1.47 -1.26 0.74 -2.88 0.00 0.00 179.24 177.07 2jng h THR 21 N -0.45 1.46 -3.04 2.25 2.02 -0.84 -3.41 112.91 110.91 2jng h THR 21 Ca -0.22 -3.09 -0.72 0.00 0.77 0.00 0.00 66.41 63.14 2jng h THR 21 Cb 1.61 2.86 -0.21 0.00 -1.74 0.00 0.00 68.15 70.67 2jng h THR 21 CO 0.07 0.88 0.24 -0.22 0.37 0.00 0.00 175.52 176.86 2jng s LEU 22 N -6.95 5.71 0.37 2.58 0.20 0.53 -5.02 118.68 116.10 2jng s LEU 22 Ca -0.04 -1.89 -0.03 0.00 0.69 0.00 0.00 54.13 52.86 2jng s LEU 22 Cb 0.08 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 2jng s LEU 22 CO 0.86 -0.96 0.62 0.00 -0.29 0.00 0.00 176.35 176.58 2jng s GLN 23 N 2.00 3.55 -0.10 1.98 -2.07 -1.26 -4.74 119.66 119.01 2jng s GLN 23 Ca 0.17 -0.08 -0.37 0.00 -1.82 0.00 0.00 55.36 53.26 2jng s GLN 23 Cb -0.17 -2.58 -0.14 0.00 -1.09 0.00 0.00 33.01 29.03 2jng s GLN 23 CO -0.01 0.07 1.69 -2.30 -1.32 0.00 0.00 175.29 173.42 2jng n PRO 24 N -1.65 1.58 0.00 9.60 -0.02 -1.26 -1.34 135.00 141.92 2jng n PRO 24 Ca -0.02 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2jng n PRO 24 Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.85 1.29 3.75 -1.23 0.00 0.17 -5.01 105.19 108.01 2jng n GLY 25 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 4.56 0.43 1.61 -1.94 -0.45 -4.69 119.30 118.77 2jng s MET 26 Ca 0.00 1.86 -0.23 0.00 -1.71 0.00 0.00 55.69 55.61 2jng s MET 26 Cb 0.00 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.55 2jng s MET 26 CO 0.00 0.05 1.04 0.50 -0.01 0.00 0.00 175.02 176.61 2jng s ARG 27 N -0.93 4.05 0.20 2.03 3.52 0.93 -0.54 118.95 128.20 2jng s ARG 27 Ca 0.48 1.44 0.10 0.00 -0.13 0.00 0.00 55.73 57.62 2jng s ARG 27 Cb -0.33 -2.37 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 2jng s ARG 27 CO 0.40 -0.23 -0.20 0.14 -0.81 0.00 0.00 175.30 174.60 2jng s VAL 28 N -1.79 2.09 -0.01 7.11 -7.23 0.20 -1.80 120.40 118.96 2jng s VAL 28 Ca 0.61 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2jng s VAL 28 Cb -0.19 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2jng s VAL 28 CO 0.24 -0.30 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.96 2jng s ARG 29 N -2.96 1.45 -0.19 4.82 3.52 -0.62 -0.74 118.95 124.24 2jng s ARG 29 Ca 0.20 -0.64 -0.25 0.00 -0.13 0.00 0.00 55.73 54.92 2jng s ARG 29 Cb -0.06 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 31.92 2jng s ARG 29 CO 0.09 0.38 0.81 1.41 -0.81 0.00 0.00 175.30 177.18 2jng s MET 30 N -0.41 4.26 0.04 5.12 -2.45 0.18 0.36 119.30 126.41 2jng s MET 30 Ca 0.07 0.96 -0.14 0.00 -1.25 0.00 0.00 55.69 55.33 2jng s MET 30 Cb -0.07 -3.59 -0.33 0.00 1.25 0.00 0.00 34.83 32.09 2jng s MET 30 CO -0.01 -0.36 1.05 -0.07 1.05 0.00 0.00 175.02 176.68 2jng h LEU 31 N 8.50 0.82 -8.75 4.11 3.38 -1.83 -0.47 115.31 121.08 2jng h LEU 31 Ca -0.28 -0.84 -0.38 0.00 0.09 0.00 0.00 57.88 56.47 2jng h LEU 31 Cb 1.12 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 2jng h LEU 31 CO 0.84 1.65 -0.72 -0.62 0.09 0.00 0.00 178.44 179.68 2jng s ASP 32 N -7.51 2.13 -0.09 -0.43 2.15 -1.26 -4.58 116.67 107.08 2jng s ASP 32 Ca -0.09 -1.01 -0.30 0.00 0.43 0.00 0.00 52.55 51.59 2jng s ASP 32 Cb 0.05 -0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.59 2jng s ASP 32 CO 0.94 -0.26 1.06 -1.81 -0.17 0.00 0.00 175.17 174.93 2jng s ASP 33 N -3.21 7.19 -0.29 -0.34 1.01 -1.26 -3.85 116.67 115.92 2jng s ASP 33 Ca 0.19 1.60 0.01 0.00 0.71 0.00 0.00 52.55 55.06 2jng s ASP 33 Cb 0.01 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.54 2jng s ASP 33 CO 0.03 -0.49 0.38 -0.47 0.21 0.00 0.00 175.17 174.84 2jng s TYR 34 N 2.10 -0.88 0.00 4.23 5.04 0.12 -4.95 117.35 122.99 2jng s TYR 34 Ca 0.50 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 2jng s TYR 34 Cb -0.20 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.91 2jng s TYR 34 CO 0.19 -0.95 0.00 0.39 -1.34 0.00 0.00 175.55 173.84 2jng n GLU 35 N 5.35 0.00 0.00 4.97 -0.58 -1.26 -1.98 120.64 127.13 2jng n GLU 35 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jng n GLU 35 Cb 0.49 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2jng n GLU 35 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jng n GLU 36 N -0.57 0.00 -3.98 3.49 -0.58 -1.26 -5.13 120.64 112.61 2jng n GLU 36 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2jng n GLU 36 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jng s ILE 37 N -1.01 5.10 0.32 -3.67 -1.09 -0.84 -5.12 121.20 114.90 2jng s ILE 37 Ca 0.00 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 57.82 2jng s ILE 37 Cb 0.00 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 2jng s ILE 37 CO 0.00 -0.01 -0.10 -0.94 -1.23 0.00 0.00 174.94 172.66 2jng s SER 38 N -2.94 3.54 0.19 3.58 1.04 -1.26 0.11 113.70 117.95 2jng s SER 38 Ca 0.33 -1.18 -0.32 0.00 0.48 0.00 0.00 55.95 55.27 2jng s SER 38 Cb -0.11 -0.31 -0.11 0.00 0.10 0.00 0.00 66.02 65.59 2jng s SER 38 CO 0.27 -0.20 1.61 0.00 0.98 0.00 0.00 173.24 175.90 2jng s ALA 39 N -2.67 3.82 0.00 5.32 0.00 -1.25 -2.38 121.76 124.60 2jng s ALA 39 Ca 0.32 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2jng s ALA 39 Cb 0.02 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2jng s ALA 39 CO 0.15 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2jng n GLY 40 N 3.71 2.36 3.79 0.00 0.00 -0.18 -4.99 105.19 109.88 2jng n GLY 40 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.50 5.40 0.08 1.61 1.11 -1.00 -4.76 116.67 117.61 2jng s ASP 41 Ca 0.00 1.90 0.01 0.00 0.18 0.00 0.00 52.55 54.63 2jng s ASP 41 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2jng s ASP 41 CO 0.00 -1.43 -0.05 -1.83 1.18 0.00 0.00 175.17 173.04 2jng s GLU 42 N -4.15 0.75 0.02 8.23 -1.05 -1.26 0.48 118.70 121.72 2jng s GLU 42 Ca 0.65 -1.29 -0.01 0.00 -0.15 0.00 0.00 54.97 54.16 2jng s GLU 42 Cb -0.18 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.46 2jng s GLU 42 CO 0.41 -0.05 0.06 0.41 0.95 0.00 0.00 175.26 177.03 2jng n GLY 43 N 0.01 1.74 3.32 -3.83 0.00 0.09 -2.46 105.19 104.06 2jng n GLY 43 Ca -0.13 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.01 2.06 -0.21 1.61 2.12 0.19 0.63 118.70 123.09 2jng s GLU 44 Ca 0.01 -0.96 -0.23 0.00 0.36 0.00 0.00 54.97 54.15 2jng s GLU 44 Cb -0.00 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.34 2jng s GLU 44 CO 0.01 0.55 0.75 0.12 -0.54 0.00 0.00 175.26 176.15 2jng s PHE 45 N -0.65 3.35 -0.14 5.30 2.19 0.30 -1.16 117.98 127.16 2jng s PHE 45 Ca 0.10 1.06 -0.13 0.00 0.33 0.00 0.00 56.93 58.30 2jng s PHE 45 Cb -0.10 -2.94 -0.06 0.00 -1.31 0.00 0.00 43.02 38.61 2jng s PHE 45 CO -0.00 -0.29 -0.27 0.54 1.83 0.00 0.00 175.22 177.03 2jng n ARG 46 N 5.52 0.41 -3.81 10.12 1.74 -1.14 -0.65 116.66 128.85 2jng n ARG 46 Ca 0.03 0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2jng n ARG 46 Cb 0.49 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.62 2jng n ARG 46 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2jng s GLN 47 N -2.60 0.59 -0.13 5.56 0.74 -0.97 -4.73 119.66 118.12 2jng s GLN 47 Ca -0.24 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 54.90 2jng s GLN 47 Cb 0.05 0.25 -0.00 0.00 1.10 0.00 0.00 33.01 34.41 2jng s GLN 47 CO 0.34 -0.15 -0.18 -1.54 -0.55 0.00 0.00 175.29 173.20 2jng s SER 48 N -1.36 3.52 -0.57 6.67 1.04 -1.26 -0.32 113.70 121.42 2jng s SER 48 Ca -0.14 -0.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.56 2jng s SER 48 Cb -0.06 -1.51 0.04 0.00 0.10 0.00 0.00 66.02 64.58 2jng s SER 48 CO 0.03 0.14 1.07 0.20 0.98 0.00 0.00 173.24 175.66 2jng s ASN 49 N 0.49 6.40 0.00 7.02 0.01 -1.23 -4.40 114.94 123.23 2jng s ASN 49 Ca -0.12 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2jng s ASN 49 Cb -0.17 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.00 2jng s ASN 49 CO 0.05 -1.36 0.00 0.59 -1.51 0.00 0.00 177.10 174.87 2jng n ASN 50 N 7.97 0.00 0.00 -1.22 5.03 -1.26 -3.32 115.26 122.46 2jng n ASN 50 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 2jng n ASN 50 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2jng n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jng n GLY 51 N 0.00 0.24 3.50 7.41 0.00 -1.26 -5.17 105.19 109.91 2jng n GLY 51 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2jng n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jng s VAL 52 N 0.00 0.03 0.29 1.61 -7.23 -1.21 -5.07 120.40 108.81 2jng s VAL 52 Ca 0.00 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2jng s VAL 52 Cb 0.00 -1.92 0.44 0.00 0.56 0.00 0.00 36.38 35.46 2jng s VAL 52 CO 0.00 -0.12 1.57 -0.65 -0.31 0.00 0.00 175.10 175.59 2jng h PRO 53 N 2.32 0.00 -6.56 4.82 0.10 -1.93 -3.41 132.00 127.33 2jng h PRO 53 Ca -0.28 -0.00 -0.52 0.00 0.10 0.00 0.00 66.00 65.29 2jng h PRO 53 Cb 1.25 -0.00 0.05 0.00 0.10 0.00 0.00 31.00 32.39 2jng h PRO 53 CO 0.39 0.00 1.08 -1.25 0.10 0.00 0.00 178.00 178.33 2jng s PRO 54 N -6.18 4.13 -0.00 1.05 0.04 -1.25 -3.33 135.00 129.46 2jng s PRO 54 Ca -0.14 2.61 0.04 0.00 0.04 0.00 0.00 61.00 63.54 2jng s PRO 54 Cb 0.27 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2jng s PRO 54 CO 0.78 -0.81 -0.12 0.54 0.04 0.00 0.00 177.00 177.42 2jng s VAL 55 N 2.20 0.98 -0.46 -0.36 0.11 -0.85 -3.47 120.40 118.55 2jng s VAL 55 Ca 0.79 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 2jng s VAL 55 Cb -0.47 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 33.59 2jng s VAL 55 CO 0.35 0.22 0.51 -1.58 -3.33 0.00 0.00 175.10 171.27 2jng s GLN 56 N -0.44 3.10 -0.07 1.54 2.00 0.56 0.04 119.66 126.40 2jng s GLN 56 Ca 0.04 -0.84 0.05 0.00 -2.00 0.00 0.00 55.36 52.61 2jng s GLN 56 Cb -0.05 -4.03 -0.00 0.00 0.80 0.00 0.00 33.01 29.72 2jng s GLN 56 CO -0.00 -1.01 -0.23 0.08 -0.50 0.00 0.00 175.29 173.63 2jng s VAL 57 N 2.29 1.91 -0.29 1.34 1.01 -0.48 -2.29 120.40 123.89 2jng s VAL 57 Ca 0.13 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 2jng s VAL 57 Cb -0.18 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2jng s VAL 57 CO 0.13 0.53 0.67 0.12 0.00 0.00 0.00 175.10 176.54 2jng s PHE 58 N 0.08 3.23 -0.39 5.22 5.36 -0.31 -0.96 117.98 130.21 2jng s PHE 58 Ca -0.09 0.71 -0.21 0.00 -0.96 0.00 0.00 56.93 56.38 2jng s PHE 58 Cb -0.15 -2.99 0.01 0.00 -0.34 0.00 0.00 43.02 39.55 2jng s PHE 58 CO 0.05 -0.45 0.65 -1.58 -1.46 0.00 0.00 175.22 172.43 2jng s TRP 59 N 2.65 3.11 0.21 10.12 0.52 0.76 0.57 118.94 136.88 2jng s TRP 59 Ca 0.27 0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.55 2jng s TRP 59 Cb -0.15 -3.24 0.18 0.00 -1.15 0.00 0.00 33.47 29.11 2jng s TRP 59 CO 0.11 -0.73 1.60 0.93 0.02 0.00 0.00 176.95 178.87 2jng h GLU 60 N 8.64 0.69 -0.86 4.98 5.08 -1.78 0.61 114.58 131.95 2jng h GLU 60 Ca -0.26 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2jng h GLU 60 Cb 1.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2jng h GLU 60 CO 0.86 0.92 0.48 1.03 -1.00 0.00 0.00 179.01 181.30 2jng h SER 61 N 0.59 1.06 0.00 1.42 0.87 -1.88 -3.32 113.55 112.29 2jng h SER 61 Ca 0.07 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 2jng h SER 61 Cb 0.83 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2jng h SER 61 CO 0.07 0.85 -0.93 0.41 -0.53 0.00 0.00 176.83 176.70 2jng n THR 62 N -4.34 1.48 0.00 2.23 -1.04 -1.08 -5.02 114.28 106.51 2jng n THR 62 Ca 0.09 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2jng n THR 62 Cb 0.09 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 2jng n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jng n GLY 63 N 1.52 1.60 3.13 3.41 0.00 0.21 -5.08 105.19 109.98 2jng n GLY 63 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.04 0.72 0.43 1.61 1.70 -1.18 -4.96 118.95 117.24 2jng s ARG 64 Ca 0.00 -1.20 -0.09 0.00 -0.47 0.00 0.00 55.73 53.98 2jng s ARG 64 Cb 0.00 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2jng s ARG 64 CO 0.00 -0.17 0.78 0.95 -1.08 0.00 0.00 175.30 175.77 2jng s THR 65 N -3.93 4.83 -0.12 4.99 -4.23 -1.26 -0.17 115.64 115.75 2jng s THR 65 Ca 0.09 0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 60.80 2jng s THR 65 Cb 0.07 -3.78 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2jng s THR 65 CO -0.08 -0.64 0.66 -0.47 -0.54 0.00 0.00 174.62 173.55 2jng s TYR 66 N -2.50 -0.67 -0.36 3.99 5.04 -0.13 -4.91 117.35 117.80 2jng s TYR 66 Ca 0.50 1.34 -0.21 0.00 -2.44 0.00 0.00 57.07 56.25 2jng s TYR 66 Cb -0.10 0.34 0.01 0.00 0.35 0.00 0.00 41.96 42.55 2jng s TYR 66 CO 0.36 -0.51 0.69 -1.58 -1.34 0.00 0.00 175.55 173.17 2jng s TRP 67 N -0.65 3.14 0.00 4.97 0.51 -1.25 -1.38 118.94 124.28 2jng s TRP 67 Ca -0.07 0.43 0.00 0.00 -2.12 0.00 0.00 56.10 54.34 2jng s TRP 67 Cb -0.02 -3.23 0.00 0.00 -0.81 0.00 0.00 33.47 29.41 2jng s TRP 67 CO 0.06 -0.66 0.00 0.28 -0.51 0.00 0.00 176.95 176.12 2jng n VAL 68 N 5.66 0.00 -3.91 4.03 0.31 0.11 -4.76 118.33 119.76 2jng n VAL 68 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2jng n VAL 68 Cb 0.48 -0.20 -0.15 0.00 -0.91 0.00 0.00 33.84 33.06 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 1.90 0.16 0.19 3.52 3.76 -1.26 -2.00 115.29 121.56 2jng s HIS 69 Ca 0.00 0.01 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 2jng s HIS 69 Cb 0.00 -0.20 0.19 0.00 1.11 0.00 0.00 32.58 33.68 2jng s HIS 69 CO 0.00 -0.05 1.68 -1.49 -0.85 0.00 0.00 174.74 174.03 2jng h TRP 70 N 6.65 -0.05 0.00 1.40 4.06 -1.91 -2.36 115.95 123.74 2jng h TRP 70 Ca -0.34 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.65 2jng h TRP 70 Cb 1.17 0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 2jng h TRP 70 CO 0.45 -0.12 0.00 -2.39 -3.56 0.00 0.00 178.44 172.82 2jng n HIS 71 N -5.24 0.00 -0.60 0.49 1.44 -1.26 -2.33 115.22 107.71 2jng n HIS 71 Ca 0.05 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.81 2jng n HIS 71 Cb 0.27 -0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.44 2jng n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jng n MET 72 N -1.00 1.95 -4.70 -1.40 0.00 -0.89 -4.71 117.12 106.37 2jng n MET 72 Ca 0.13 -1.85 -0.33 0.00 0.00 0.00 0.00 57.70 55.65 2jng n MET 72 Cb 0.06 -1.15 -0.13 0.00 0.00 0.00 0.00 33.22 32.01 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 -1.65 2.93 -0.14 3.17 1.43 -0.98 -2.82 118.68 120.62 2jng s LEU 73 Ca 0.13 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2jng s LEU 73 Cb 0.11 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2jng s LEU 73 CO 0.01 0.25 0.38 -0.70 0.23 0.00 0.00 176.35 176.53 2jng s GLU 74 N -0.17 4.28 -0.26 1.70 2.12 0.16 -4.94 118.70 121.59 2jng s GLU 74 Ca 0.01 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.32 2jng s GLU 74 Cb -0.13 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.84 2jng s GLU 74 CO 0.03 0.22 1.13 -1.50 -0.54 0.00 0.00 175.26 174.59 2jng s ILE 75 N 0.48 4.48 -0.12 -3.70 -1.16 -1.26 -1.58 121.20 118.34 2jng s ILE 75 Ca 0.21 1.75 -0.09 0.00 -0.51 0.00 0.00 60.65 62.01 2jng s ILE 75 Cb -0.14 -4.27 -0.05 0.00 0.61 0.00 0.00 42.46 38.61 2jng s ILE 75 CO 0.07 -0.31 -0.20 -0.11 -2.81 0.00 0.00 174.94 171.58 2jng n LEU 76 N 6.73 1.29 0.00 8.50 7.94 -0.92 -4.95 117.00 135.59 2jng n LEU 76 Ca 0.13 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2jng n LEU 76 Cb 0.46 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.91 2jng n LEU 76 CO 0.57 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 2jng n GLY 77 N 2.15 0.95 0.00 -3.96 0.00 -0.75 -4.72 105.19 98.86 2jng n GLY 77 Ca -0.22 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2jng n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jng n PHE 78 N 0.00 0.00 -0.11 1.61 7.35 -1.26 -0.05 117.46 125.00 2jng n PHE 78 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 2jng n PHE 78 Cb 0.00 0.00 0.15 0.00 0.35 0.00 0.00 39.48 39.98 2jng n PHE 78 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2jng h GLU 79 N 0.00 0.80 -0.01 -4.13 3.07 -1.99 -3.51 114.58 108.80 2jng h GLU 79 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2jng h GLU 79 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2jng h GLU 79 CO 0.00 0.82 0.00 0.39 -1.40 0.00 0.00 179.01 178.82