#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 -0.50 0.03 9.65 -2.02 -2.37 114.38 119.17 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 0.37 0.00 0.43 2.80 0.00 0.00 179.97 183.57 2jng n SER 6 N -4.10 0.90 -0.25 -3.80 7.64 -1.26 -4.27 113.62 108.48 2jng n SER 6 Ca -0.02 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.82 2jng n SER 6 Cb 0.40 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.12 0.83 -0.28 1.43 0.28 -0.89 -3.80 120.64 118.08 2jng n GLU 7 Ca 0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.76 2jng n GLU 7 Cb 0.20 -1.20 0.25 0.00 1.43 0.00 0.00 31.44 32.12 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 -0.21 -3.46 -0.28 -1.84 3.01 -1.26 -4.72 117.46 108.70 2jng n PHE 8 Ca 0.00 -0.61 0.10 0.00 1.01 0.00 0.00 57.45 57.95 2jng n PHE 8 Cb 0.10 -1.26 0.24 0.00 -0.01 0.00 0.00 39.48 38.56 2jng n PHE 8 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jng h ALA 9 N -3.43 1.11 0.00 4.37 0.00 -1.97 -0.66 119.26 118.68 2jng h ALA 9 Ca -0.34 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jng h ALA 9 Cb 1.14 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jng h ALA 9 CO 0.20 -0.44 -0.03 0.45 0.00 0.00 0.00 179.25 179.43 2jng n SER 10 N -5.26 1.32 0.00 0.00 2.88 -1.26 -5.01 113.62 106.29 2jng n SER 10 Ca 0.19 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.90 2jng n SER 10 Cb 0.61 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.42 1.31 0.32 0.46 0.00 -0.26 -4.56 105.19 102.04 2jng n GLY 11 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.42 1.61 7.08 -1.88 -0.04 115.58 121.93 2jng h ASN 12 Ca 0.00 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 53.34 2jng h ASN 12 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 2jng h ASN 12 CO 0.00 0.00 0.31 0.74 -2.08 0.00 0.00 177.43 176.40 2jng h THR 13 N 0.00 0.74 -0.65 6.14 2.02 -1.91 0.63 112.91 119.87 2jng h THR 13 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2jng h THR 13 Cb 0.21 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2jng h THR 13 CO -0.00 0.00 0.34 0.22 0.37 0.00 0.00 175.52 176.45 2jng h TYR 14 N 0.00 0.92 -0.10 3.16 3.20 -1.31 -0.36 116.97 122.48 2jng h TYR 14 Ca 0.20 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2jng h TYR 14 Cb 0.82 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2jng h TYR 14 CO 0.00 0.67 -0.08 0.00 -1.64 0.00 0.00 178.16 177.12 2jng h ALA 15 N 1.16 1.69 -0.06 1.82 0.00 -1.01 0.21 119.26 123.07 2jng h ALA 15 Ca 0.23 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jng h ALA 15 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jng h ALA 15 CO -0.03 0.23 -0.38 1.25 0.00 0.00 0.00 179.25 180.32 2jng h LEU 16 N 0.15 0.45 0.13 0.00 5.85 -1.03 -2.12 115.31 118.74 2jng h LEU 16 Ca 0.03 -0.66 0.01 0.00 0.84 0.00 0.00 57.88 58.10 2jng h LEU 16 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2jng h LEU 16 CO 0.01 1.04 -0.23 0.22 -0.34 0.00 0.00 178.44 179.14 2jng h TYR 17 N -0.12 -0.61 -0.51 1.25 3.20 -0.43 -1.18 116.97 118.57 2jng h TYR 17 Ca -0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2jng h TYR 17 Cb 1.04 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 2jng h TYR 17 CO 0.13 -0.33 0.17 -0.39 -1.64 0.00 0.00 178.16 176.11 2jng h VAL 18 N -0.44 1.23 0.00 1.81 -1.51 -1.05 -2.78 116.25 113.50 2jng h VAL 18 Ca 0.02 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 2jng h VAL 18 Cb 0.45 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2jng h VAL 18 CO -0.12 0.28 -0.13 0.08 -1.23 0.00 0.00 177.57 176.45 2jng h ARG 19 N 0.70 0.00 -0.30 5.19 0.11 -1.25 0.35 114.38 119.18 2jng h ARG 19 Ca 0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.20 2jng h ARG 19 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2jng h ARG 19 CO -0.01 0.13 -0.01 0.22 0.10 0.00 0.00 179.97 180.40 2jng h ASP 20 N 0.00 0.54 0.34 0.08 3.58 -0.94 -3.32 116.42 116.71 2jng h ASP 20 Ca -0.00 -0.32 -0.27 0.00 0.42 0.00 0.00 57.03 56.86 2jng h ASP 20 Cb 0.57 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2jng h ASP 20 CO 0.02 0.72 -1.89 1.07 -2.88 0.00 0.00 179.24 176.28 2jng n THR 21 N -4.55 1.35 -2.43 2.25 5.66 -0.99 -4.81 114.28 110.76 2jng n THR 21 Ca -0.03 -0.78 -0.40 0.00 -3.05 0.00 0.00 64.05 59.80 2jng n THR 21 Cb 0.27 -0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 68.30 2jng n THR 21 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2jng s LEU 22 N -5.73 3.24 0.27 1.09 2.96 0.12 -4.98 118.68 115.66 2jng s LEU 22 Ca -0.06 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2jng s LEU 22 Cb 0.08 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2jng s LEU 22 CO 0.83 -1.93 0.53 0.00 -1.32 0.00 0.00 176.35 174.45 2jng s GLN 23 N 5.92 3.61 -0.23 1.98 -2.07 -1.26 -4.82 119.66 122.79 2jng s GLN 23 Ca 0.45 -0.06 -0.39 0.00 -1.82 0.00 0.00 55.36 53.54 2jng s GLN 23 Cb -0.07 -2.68 -0.15 0.00 -1.09 0.00 0.00 33.01 29.02 2jng s GLN 23 CO 0.11 0.24 1.74 -2.30 -1.32 0.00 0.00 175.29 173.76 2jng n PRO 24 N -0.91 1.32 0.00 9.60 -0.02 -1.26 -1.28 135.00 142.45 2jng n PRO 24 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2jng n PRO 24 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 4.13 1.39 3.66 -1.23 0.00 -0.53 -5.03 105.19 107.58 2jng n GLY 25 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.27 4.21 0.44 1.61 -1.94 -0.41 -4.86 119.30 118.08 2jng s MET 26 Ca 0.00 0.62 -0.22 0.00 -1.71 0.00 0.00 55.69 54.39 2jng s MET 26 Cb 0.00 -3.58 -0.10 0.00 2.01 0.00 0.00 34.83 33.16 2jng s MET 26 CO 0.00 -0.25 1.00 1.03 -0.01 0.00 0.00 175.02 176.79 2jng s ARG 27 N 1.95 4.09 0.28 2.03 0.52 -1.24 -2.39 118.95 124.18 2jng s ARG 27 Ca 0.29 1.28 0.10 0.00 -0.52 0.00 0.00 55.73 56.88 2jng s ARG 27 Cb -0.16 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 2jng s ARG 27 CO 0.10 -0.17 -0.15 0.14 0.02 0.00 0.00 175.30 175.24 2jng s VAL 28 N -1.99 2.17 -0.04 3.52 -7.23 0.16 -1.93 120.40 115.05 2jng s VAL 28 Ca 0.63 -2.29 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2jng s VAL 28 Cb -0.14 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2jng s VAL 28 CO 0.18 -0.38 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.78 2jng s ARG 29 N -3.59 2.05 -0.16 4.82 3.52 0.32 -0.79 118.95 125.11 2jng s ARG 29 Ca 0.29 -0.76 -0.21 0.00 -0.13 0.00 0.00 55.73 54.92 2jng s ARG 29 Cb -0.01 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2jng s ARG 29 CO 0.13 0.36 0.62 1.41 -0.81 0.00 0.00 175.30 177.01 2jng s MET 30 N -0.19 4.28 0.00 5.12 -2.45 -0.05 -0.03 119.30 125.97 2jng s MET 30 Ca -0.00 0.64 0.08 0.00 -1.25 0.00 0.00 55.69 55.16 2jng s MET 30 Cb -0.11 -3.53 0.01 0.00 1.25 0.00 0.00 34.83 32.45 2jng s MET 30 CO 0.02 -0.12 0.62 1.28 1.05 0.00 0.00 175.02 177.87 2jng n LEU 31 N 4.59 1.24 -4.44 4.11 7.99 -0.93 0.09 117.00 129.64 2jng n LEU 31 Ca -0.02 -0.82 -0.22 0.00 -0.01 0.00 0.00 56.01 54.94 2jng n LEU 31 Cb 0.50 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.71 2jng n LEU 31 CO 0.44 0.25 -0.39 -0.62 -1.51 0.00 0.00 177.39 175.56 2jng s ASP 32 N -1.09 3.03 -0.27 -1.43 2.15 -1.24 -4.78 116.67 113.04 2jng s ASP 32 Ca 0.08 -1.15 -0.21 0.00 0.43 0.00 0.00 52.55 51.69 2jng s ASP 32 Cb 0.07 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.46 2jng s ASP 32 CO 0.18 -0.24 0.69 -0.62 -0.17 0.00 0.00 175.17 175.01 2jng s ASP 33 N -3.47 6.61 0.45 -0.34 2.15 -1.26 -3.13 116.67 117.68 2jng s ASP 33 Ca 0.29 0.68 0.03 0.00 0.43 0.00 0.00 52.55 53.98 2jng s ASP 33 Cb 0.02 -2.36 -0.02 0.00 -0.30 0.00 0.00 42.92 40.26 2jng s ASP 33 CO 0.12 -0.46 0.10 -0.47 -0.17 0.00 0.00 175.17 174.30 2jng s TYR 34 N 2.66 1.79 -0.86 -5.34 5.04 0.34 -5.02 117.35 115.97 2jng s TYR 34 Ca 0.28 -1.23 -0.25 0.00 -2.44 0.00 0.00 57.07 53.43 2jng s TYR 34 Cb -0.15 -1.27 -0.04 0.00 0.35 0.00 0.00 41.96 40.85 2jng s TYR 34 CO 0.10 -0.19 1.92 -1.21 -1.34 0.00 0.00 175.55 174.83 2jng s GLU 35 N -3.73 2.59 0.00 4.97 8.01 -1.26 -3.16 118.70 126.12 2jng s GLU 35 Ca 0.18 -0.16 0.00 0.00 0.01 0.00 0.00 54.97 55.00 2jng s GLU 35 Cb 0.02 -4.95 0.00 0.00 -4.31 0.00 0.00 34.13 24.88 2jng s GLU 35 CO 0.11 -3.24 0.00 0.39 0.01 0.00 0.00 175.26 172.53 2jng n GLU 36 N 8.91 0.00 -3.78 1.61 1.02 -1.26 -5.01 120.64 122.14 2jng n GLU 36 Ca 0.37 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.16 2jng n GLU 36 Cb 0.48 -0.07 -0.05 0.00 -0.02 0.00 0.00 31.44 31.78 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jng s ILE 37 N -2.45 5.32 0.34 -3.67 -1.09 -1.19 -5.10 121.20 113.36 2jng s ILE 37 Ca 0.00 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.58 2jng s ILE 37 Cb 0.00 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2jng s ILE 37 CO 0.00 0.35 0.13 -0.44 -1.23 0.00 0.00 174.94 173.75 2jng s SER 38 N -1.75 2.13 0.17 3.58 0.01 -1.26 -0.50 113.70 116.07 2jng s SER 38 Ca 0.28 -1.57 -0.31 0.00 1.31 0.00 0.00 55.95 55.66 2jng s SER 38 Cb -0.13 0.34 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 2jng s SER 38 CO 0.17 -0.85 1.43 0.00 0.41 0.00 0.00 173.24 174.39 2jng s ALA 39 N -3.41 3.63 0.00 1.44 0.00 -1.18 -2.88 121.76 119.35 2jng s ALA 39 Ca 0.32 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2jng s ALA 39 Cb 0.05 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jng s ALA 39 CO 0.16 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2jng n GLY 40 N 3.08 2.76 3.76 0.00 0.00 0.11 -4.98 105.19 109.91 2jng n GLY 40 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.41 6.52 -0.06 1.61 1.01 -1.14 -4.77 116.67 118.44 2jng s ASP 41 Ca 0.00 2.83 -0.02 0.00 0.71 0.00 0.00 52.55 56.07 2jng s ASP 41 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2jng s ASP 41 CO 0.00 -0.77 0.06 -1.61 0.21 0.00 0.00 175.17 173.06 2jng s GLU 42 N -1.00 3.09 0.10 8.23 2.02 -1.26 -0.87 118.70 129.01 2jng s GLU 42 Ca 0.57 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 55.13 2jng s GLU 42 Cb -0.44 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 2jng s GLU 42 CO 0.50 0.69 0.10 0.20 0.02 0.00 0.00 175.26 176.78 2jng s GLY 43 N -1.27 0.50 -0.14 -1.39 0.00 0.03 -2.35 107.32 102.69 2jng s GLY 43 Ca 0.18 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 2jng s GLY 43 CO 0.07 -1.11 0.08 1.85 0.00 0.00 0.00 173.10 173.99 2jng s GLU 44 N -3.94 3.57 -0.37 2.90 2.56 0.22 0.36 118.70 124.00 2jng s GLU 44 Ca 0.12 -0.28 -0.22 0.00 0.00 0.00 0.00 54.97 54.59 2jng s GLU 44 Cb 0.06 -3.12 0.01 0.00 2.00 0.00 0.00 34.13 33.09 2jng s GLU 44 CO -0.06 0.55 0.73 0.12 -0.56 0.00 0.00 175.26 176.04 2jng s PHE 45 N -0.40 3.12 -0.13 5.30 5.36 -1.01 -0.70 117.98 129.51 2jng s PHE 45 Ca 0.10 0.44 -0.11 0.00 -0.96 0.00 0.00 56.93 56.40 2jng s PHE 45 Cb -0.12 -3.32 -0.09 0.00 -0.34 0.00 0.00 43.02 39.15 2jng s PHE 45 CO 0.02 -0.71 0.16 0.00 -1.46 0.00 0.00 175.22 173.23 2jng h ARG 46 N 8.51 0.00 -1.40 10.12 2.47 -1.88 -1.41 114.38 130.79 2jng h ARG 46 Ca -0.25 0.00 0.38 0.00 -1.26 0.00 0.00 59.98 58.84 2jng h ARG 46 Cb 1.10 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.30 2jng h ARG 46 CO 0.89 0.36 0.94 1.14 0.56 0.00 0.00 179.97 183.86 2jng s GLN 47 N -1.96 0.16 0.08 0.04 1.03 -1.24 -4.55 119.66 113.21 2jng s GLN 47 Ca -0.11 -0.09 0.07 0.00 0.04 0.00 0.00 55.36 55.27 2jng s GLN 47 Cb 0.01 0.05 -0.03 0.00 0.03 0.00 0.00 33.01 33.06 2jng s GLN 47 CO 0.28 -0.07 -0.20 -1.12 -2.54 0.00 0.00 175.29 171.64 2jng s SER 48 N -3.23 2.37 0.10 12.60 0.01 -1.26 -3.28 113.70 121.01 2jng s SER 48 Ca 0.19 -0.62 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 2jng s SER 48 Cb 0.05 -0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.22 2jng s SER 48 CO -0.05 0.07 1.15 0.54 0.41 0.00 0.00 173.24 175.36 2jng s ASN 49 N -1.66 0.00 0.00 2.44 6.03 -1.26 -4.98 114.94 115.52 2jng s ASN 49 Ca 0.05 -0.46 0.00 0.00 -1.03 0.00 0.00 52.86 51.42 2jng s ASN 49 Cb -0.10 0.34 0.00 0.00 -3.03 0.00 0.00 41.25 38.47 2jng s ASN 49 CO 0.03 -0.68 0.00 0.59 -2.03 0.00 0.00 177.10 175.01 2jng n ASN 50 N -1.14 0.00 0.00 3.54 5.03 -1.26 -4.51 115.26 116.92 2jng n ASN 50 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2jng n ASN 50 Cb 0.59 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 -1.75 2.43 3.63 7.41 0.00 -1.26 -5.02 105.19 110.63 2jng n GLY 51 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 2.29 0.36 1.61 -7.23 -1.26 -4.90 120.40 111.27 2jng s VAL 52 Ca 0.00 0.09 0.18 0.00 -1.81 0.00 0.00 61.98 60.45 2jng s VAL 52 Cb 0.00 -2.36 0.36 0.00 0.56 0.00 0.00 36.38 34.94 2jng s VAL 52 CO 0.00 -0.12 1.58 1.55 -0.31 0.00 0.00 175.10 177.80 2jng h PRO 53 N -2.00 0.00 -6.24 4.82 0.13 -1.95 -3.44 132.00 123.33 2jng h PRO 53 Ca -0.53 -0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.97 2jng h PRO 53 Cb 1.30 -0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.56 2jng h PRO 53 CO 0.51 0.00 -0.34 -0.35 -0.23 0.00 0.00 178.00 177.60 2jng n PRO 54 N -5.29 0.56 -4.33 1.56 -0.04 -1.26 -4.21 135.00 121.99 2jng n PRO 54 Ca 0.36 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.84 2jng n PRO 54 Cb 1.22 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 33.14 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 -1.22 0.72 -0.47 0.52 0.11 0.15 -4.70 120.40 115.51 2jng s VAL 55 Ca 0.62 -0.49 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 2jng s VAL 55 Cb -0.74 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2jng s VAL 55 CO 0.58 0.13 0.66 -1.58 -3.33 0.00 0.00 175.10 171.56 2jng s GLN 56 N -0.40 3.22 -0.04 1.54 2.00 -1.21 -0.84 119.66 123.94 2jng s GLN 56 Ca 0.02 -0.55 0.05 0.00 -2.00 0.00 0.00 55.36 52.88 2jng s GLN 56 Cb -0.04 -4.01 -0.01 0.00 0.80 0.00 0.00 33.01 29.75 2jng s GLN 56 CO -0.00 -1.12 -0.19 0.08 -0.50 0.00 0.00 175.29 173.56 2jng s VAL 57 N 2.83 1.55 -0.28 1.34 1.01 -0.52 -3.11 120.40 123.22 2jng s VAL 57 Ca 0.20 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2jng s VAL 57 Cb -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2jng s VAL 57 CO 0.16 0.44 0.49 0.12 0.00 0.00 0.00 175.10 176.32 2jng s PHE 58 N -0.12 3.24 -0.36 5.22 5.36 0.12 -0.27 117.98 131.18 2jng s PHE 58 Ca -0.01 0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 56.28 2jng s PHE 58 Cb -0.11 -2.75 -0.00 0.00 -0.34 0.00 0.00 43.02 39.82 2jng s PHE 58 CO 0.02 -0.34 0.43 -1.58 -1.46 0.00 0.00 175.22 172.29 2jng s TRP 59 N 2.30 3.19 0.26 10.12 0.52 0.49 0.70 118.94 136.52 2jng s TRP 59 Ca 0.20 0.00 0.11 0.00 0.02 0.00 0.00 56.10 56.42 2jng s TRP 59 Cb -0.16 -2.80 0.33 0.00 -1.15 0.00 0.00 33.47 29.69 2jng s TRP 59 CO 0.10 -0.52 1.60 1.05 0.02 0.00 0.00 176.95 179.21 2jng h GLU 60 N 8.50 0.00 -0.48 4.98 4.11 -1.76 0.62 114.58 130.56 2jng h GLU 60 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 2jng h GLU 60 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2jng h GLU 60 CO 0.74 0.63 0.20 0.66 0.07 0.00 0.00 179.01 181.31 2jng h SER 61 N 0.00 0.61 0.00 3.06 4.64 -1.93 -3.10 113.55 116.84 2jng h SER 61 Ca -0.01 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 2jng h SER 61 Cb 1.13 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 2jng h SER 61 CO 0.08 0.55 -1.96 0.35 -0.87 0.00 0.00 176.83 174.98 2jng n THR 62 N -4.37 0.62 -0.79 2.95 -2.24 -1.10 -5.00 114.28 104.36 2jng n THR 62 Ca 0.04 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2jng n THR 62 Cb 0.14 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2jng n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jng n GLY 63 N 1.80 0.54 3.40 3.38 0.00 0.21 -5.05 105.19 109.48 2jng n GLY 63 Ca -0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 2jng n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jng s ARG 64 N -1.15 2.09 0.23 1.61 0.52 -1.04 -4.92 118.95 116.30 2jng s ARG 64 Ca 0.00 -0.95 -0.23 0.00 -0.52 0.00 0.00 55.73 54.03 2jng s ARG 64 Cb 0.00 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.24 2jng s ARG 64 CO 0.00 0.55 0.79 0.95 0.02 0.00 0.00 175.30 177.62 2jng s THR 65 N -0.80 4.42 -0.07 0.02 -4.23 -1.26 -0.38 115.64 113.35 2jng s THR 65 Ca 0.12 1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 61.96 2jng s THR 65 Cb -0.10 -3.97 0.04 0.00 1.34 0.00 0.00 72.50 69.81 2jng s THR 65 CO 0.02 0.28 0.47 -0.47 -0.54 0.00 0.00 174.62 174.39 2jng s TYR 66 N -1.44 -0.42 -0.35 3.99 5.04 0.63 -4.94 117.35 119.85 2jng s TYR 66 Ca 0.43 0.79 -0.20 0.00 -2.44 0.00 0.00 57.07 55.65 2jng s TYR 66 Cb -0.19 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.34 2jng s TYR 66 CO 0.23 -0.43 0.62 -1.58 -1.34 0.00 0.00 175.55 173.05 2jng s TRP 67 N -0.92 3.16 0.52 4.97 0.51 -1.25 -1.44 118.94 124.50 2jng s TRP 67 Ca -0.10 0.35 0.02 0.00 -2.12 0.00 0.00 56.10 54.25 2jng s TRP 67 Cb -0.03 -3.09 0.02 0.00 -0.81 0.00 0.00 33.47 29.55 2jng s TRP 67 CO 0.05 -0.60 0.13 0.28 -0.51 0.00 0.00 176.95 176.30 2jng n VAL 68 N 5.54 0.00 -4.52 4.03 0.31 -0.02 -4.72 118.33 118.95 2jng n VAL 68 Ca -0.02 -2.33 -0.34 0.00 -0.01 0.00 0.00 64.34 61.64 2jng n VAL 68 Cb 0.49 0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 33.63 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 -2.80 3.02 0.33 3.52 3.76 -1.26 0.29 115.29 122.15 2jng s HIS 69 Ca 0.09 0.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.11 2jng s HIS 69 Cb -0.01 -1.77 0.81 0.00 1.11 0.00 0.00 32.58 32.72 2jng s HIS 69 CO 0.06 0.31 1.79 -1.49 -0.85 0.00 0.00 174.74 174.56 2jng h TRP 70 N 5.46 0.96 0.00 1.40 4.06 -1.95 -2.65 115.95 123.23 2jng h TRP 70 Ca -0.46 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.52 2jng h TRP 70 Cb 1.18 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 2jng h TRP 70 CO 0.58 0.22 0.00 -2.39 -3.56 0.00 0.00 178.44 173.29 2jng n HIS 71 N -4.71 0.00 -0.22 0.49 1.44 -1.26 -1.75 115.22 109.21 2jng n HIS 71 Ca 0.23 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.96 2jng n HIS 71 Cb 0.61 -0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.24 2.62 -4.67 -1.40 0.00 -1.00 -4.76 117.12 106.66 2jng n MET 72 Ca 0.08 -1.68 -0.30 0.00 0.00 0.00 0.00 57.70 55.79 2jng n MET 72 Cb 0.11 -1.08 -0.13 0.00 0.00 0.00 0.00 33.22 32.12 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 -1.33 2.52 -0.11 3.17 1.02 -0.72 -2.20 118.68 121.04 2jng s LEU 73 Ca 0.06 -0.48 -0.05 0.00 0.02 0.00 0.00 54.13 53.68 2jng s LEU 73 Cb 0.05 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.76 2jng s LEU 73 CO 0.01 0.25 0.09 -0.70 0.02 0.00 0.00 176.35 176.02 2jng s GLU 74 N -1.47 3.31 -0.19 1.70 2.56 0.96 -4.94 118.70 120.63 2jng s GLU 74 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 54.97 54.77 2jng s GLU 74 Cb -0.10 -3.06 -0.05 0.00 2.00 0.00 0.00 34.13 32.92 2jng s GLU 74 CO 0.05 0.74 0.17 0.96 -0.56 0.00 0.00 175.26 176.61 2jng s ILE 75 N -0.93 5.39 -1.18 -3.70 -4.36 -1.26 -0.52 121.20 114.63 2jng s ILE 75 Ca 0.14 0.28 0.22 0.00 -0.26 0.00 0.00 60.65 61.03 2jng s ILE 75 Cb -0.12 -3.51 -0.15 0.00 1.25 0.00 0.00 42.46 39.93 2jng s ILE 75 CO 0.03 0.44 1.01 0.18 0.24 0.00 0.00 174.94 176.84 2jng n LEU 76 N 3.47 1.10 0.00 0.37 7.99 -0.81 -4.97 117.00 124.14 2jng n LEU 76 Ca -0.15 -0.47 0.00 0.00 -0.01 0.00 0.00 56.01 55.38 2jng n LEU 76 Cb 0.52 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2jng n LEU 76 CO 0.37 0.25 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 2jng n GLY 77 N 1.48 0.53 2.10 -0.72 0.00 -1.26 -4.81 105.19 102.51 2jng n GLY 77 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.14 0.15 1.61 7.35 -1.26 -3.64 117.46 118.53 2jng n PHE 78 Ca 0.00 0.77 0.08 0.00 -0.76 0.00 0.00 57.45 57.54 2jng n PHE 78 Cb 0.00 2.01 0.07 0.00 0.35 0.00 0.00 39.48 41.91 2jng n PHE 78 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2jng h GLU 79 N 0.00 0.00 0.00 -4.13 4.81 -1.98 -3.52 114.58 109.75 2jng h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jng h GLU 79 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jng h GLU 79 CO 0.00 0.18 0.00 0.39 -0.73 0.00 0.00 179.01 178.85