#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 -0.51 -0.51 0.03 2.43 -1.99 -2.23 114.38 111.61 2jng h ARG 5 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2jng h ARG 5 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2jng h ARG 5 CO 0.00 -0.34 0.00 0.45 -1.51 0.00 0.00 179.97 178.57 2jng n SER 6 N -5.42 2.71 -1.05 -3.80 2.88 -1.26 -4.10 113.62 103.59 2jng n SER 6 Ca -0.06 -2.04 0.08 0.00 -1.33 0.00 0.00 58.87 55.52 2jng n SER 6 Cb 0.33 -0.35 0.24 0.00 -0.75 0.00 0.00 64.21 63.69 2jng n SER 6 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jng n GLU 7 N 0.90 2.47 -1.50 -1.46 -0.58 -0.84 -4.30 120.64 115.35 2jng n GLU 7 Ca 0.17 -1.92 -0.29 0.00 -0.42 0.00 0.00 57.16 54.69 2jng n GLU 7 Cb 0.44 -1.52 0.14 0.00 -0.57 0.00 0.00 31.44 29.93 2jng n GLU 7 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2jng s PHE 8 N -1.47 2.49 0.24 -0.32 0.40 -1.26 -4.89 117.98 113.16 2jng s PHE 8 Ca 0.35 0.88 -0.06 0.00 -0.60 0.00 0.00 56.93 57.50 2jng s PHE 8 Cb 0.20 -3.36 0.42 0.00 0.51 0.00 0.00 43.02 40.78 2jng s PHE 8 CO 0.21 -2.39 1.69 0.00 0.70 0.00 0.00 175.22 175.43 2jng h ALA 9 N -1.52 0.89 -0.11 5.36 0.00 -1.97 -1.28 119.26 120.63 2jng h ALA 9 Ca -0.51 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jng h ALA 9 Cb 1.33 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jng h ALA 9 CO 0.61 -0.33 0.00 0.45 0.00 0.00 0.00 179.25 179.99 2jng n SER 10 N -5.15 2.28 0.00 0.00 2.88 -1.26 -5.01 113.62 107.37 2jng n SER 10 Ca 0.13 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 2jng n SER 10 Cb 0.42 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.19 1.27 0.32 0.46 0.00 -0.49 -4.42 105.19 102.14 2jng n GLY 11 Ca 0.04 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.84 1.61 -1.07 -1.89 -2.95 115.58 110.44 2jng h ASN 12 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 56.30 56.61 2jng h ASN 12 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 2jng h ASN 12 CO 0.00 0.00 0.60 0.74 0.07 0.00 0.00 177.43 178.84 2jng h THR 13 N 0.00 0.59 -0.42 6.14 2.02 -1.92 0.29 112.91 119.62 2jng h THR 13 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2jng h THR 13 Cb 0.03 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2jng h THR 13 CO -0.00 0.01 0.19 0.22 0.37 0.00 0.00 175.52 176.31 2jng h TYR 14 N 0.06 0.62 -0.30 3.16 3.20 -1.76 -1.00 116.97 120.95 2jng h TYR 14 Ca 0.41 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.17 2jng h TYR 14 Cb 1.54 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 2jng h TYR 14 CO -0.00 0.53 -0.13 0.00 -1.64 0.00 0.00 178.16 176.92 2jng h ALA 15 N 1.03 1.22 0.00 1.82 0.00 -0.66 0.34 119.26 123.01 2jng h ALA 15 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2jng h ALA 15 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jng h ALA 15 CO -0.02 0.51 -0.53 1.37 0.00 0.00 0.00 179.25 180.58 2jng h LEU 16 N 0.48 0.00 0.13 0.00 8.10 -1.15 -2.86 115.31 120.01 2jng h LEU 16 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 2jng h LEU 16 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 2jng h LEU 16 CO 0.03 0.53 -0.06 0.22 -4.11 0.00 0.00 178.44 175.04 2jng h TYR 17 N 0.00 -0.17 -0.50 0.17 3.20 -0.65 -3.34 116.97 115.69 2jng h TYR 17 Ca -0.01 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2jng h TYR 17 Cb 1.24 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.53 2jng h TYR 17 CO 0.00 0.30 0.34 -0.39 -1.64 0.00 0.00 178.16 176.77 2jng h VAL 18 N -0.81 0.87 0.00 1.81 -1.51 -0.95 0.69 116.25 116.35 2jng h VAL 18 Ca -0.02 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2jng h VAL 18 Cb 0.54 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2jng h VAL 18 CO 0.03 0.05 0.00 0.08 -1.23 0.00 0.00 177.57 176.50 2jng h ARG 19 N 0.25 0.00 0.21 5.19 -0.00 -1.62 0.16 114.38 118.57 2jng h ARG 19 Ca 0.23 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.86 2jng h ARG 19 Cb 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.57 2jng h ARG 19 CO -0.05 0.00 -1.68 0.22 -0.00 0.00 0.00 179.97 178.46 2jng h ASP 20 N 0.00 0.69 0.21 0.08 3.58 -1.00 -3.38 116.42 116.61 2jng h ASP 20 Ca 0.00 -0.94 -0.30 0.00 0.42 0.00 0.00 57.03 56.21 2jng h ASP 20 Cb 0.25 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.10 2jng h ASP 20 CO 0.00 1.77 -1.38 0.74 -2.88 0.00 0.00 179.24 177.50 2jng h THR 21 N 0.12 1.26 -2.35 2.25 2.02 -1.38 -3.42 112.91 111.41 2jng h THR 21 Ca -0.32 -2.61 -0.58 0.00 0.77 0.00 0.00 66.41 63.66 2jng h THR 21 Cb 2.13 3.02 -0.11 0.00 -1.74 0.00 0.00 68.15 71.44 2jng h THR 21 CO 0.21 0.79 0.92 -0.22 0.37 0.00 0.00 175.52 177.59 2jng s LEU 22 N -7.61 3.67 0.46 2.58 1.98 0.50 -5.00 118.68 115.25 2jng s LEU 22 Ca -0.12 -0.78 -0.03 0.00 -2.89 0.00 0.00 54.13 50.31 2jng s LEU 22 Cb 0.04 -2.51 -0.02 0.00 0.66 0.00 0.00 46.19 44.36 2jng s LEU 22 CO 0.90 -1.65 0.72 0.00 -1.89 0.00 0.00 176.35 174.43 2jng s GLN 23 N 4.99 3.34 -0.10 1.98 -2.07 -1.26 -4.77 119.66 121.78 2jng s GLN 23 Ca 0.32 -0.10 -0.36 0.00 -1.82 0.00 0.00 55.36 53.39 2jng s GLN 23 Cb -0.10 -2.47 -0.14 0.00 -1.09 0.00 0.00 33.01 29.21 2jng s GLN 23 CO 0.10 -0.20 1.76 -2.30 -1.32 0.00 0.00 175.29 173.33 2jng n PRO 24 N -2.15 1.79 0.00 9.60 -0.02 -1.26 -1.46 135.00 141.50 2jng n PRO 24 Ca -0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2jng n PRO 24 Cb 0.56 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.06 2.31 3.80 -1.23 0.00 0.48 -5.03 105.19 109.57 2jng n GLY 25 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.26 3.98 0.56 1.61 -1.94 -0.54 -4.62 119.30 118.09 2jng s MET 26 Ca 0.00 1.35 -0.10 0.00 -1.71 0.00 0.00 55.69 55.23 2jng s MET 26 Cb 0.00 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2jng s MET 26 CO 0.00 -0.27 0.94 1.03 -0.01 0.00 0.00 175.02 176.70 2jng s ARG 27 N -3.03 3.61 0.04 2.03 0.52 -0.42 -0.35 118.95 121.36 2jng s ARG 27 Ca 0.64 0.58 -0.03 0.00 -0.52 0.00 0.00 55.73 56.39 2jng s ARG 27 Cb -0.16 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 2jng s ARG 27 CO 0.20 -0.41 0.03 0.14 0.02 0.00 0.00 175.30 175.29 2jng s VAL 28 N -2.96 0.15 -0.07 3.52 -7.23 0.78 -1.12 120.40 113.47 2jng s VAL 28 Ca 0.53 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2jng s VAL 28 Cb -0.11 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.93 2jng s VAL 28 CO 0.48 -0.68 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.81 2jng s ARG 29 N -2.68 2.14 -0.11 4.82 3.52 0.25 -1.15 118.95 125.75 2jng s ARG 29 Ca -0.04 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 2jng s ARG 29 Cb -0.01 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.62 2jng s ARG 29 CO -0.05 0.17 0.96 1.41 -0.81 0.00 0.00 175.30 176.98 2jng s MET 30 N 0.30 4.41 0.08 5.12 -2.45 0.11 0.58 119.30 127.44 2jng s MET 30 Ca -0.11 1.31 0.23 0.00 -1.25 0.00 0.00 55.69 55.86 2jng s MET 30 Cb -0.15 -3.54 -0.04 0.00 1.25 0.00 0.00 34.83 32.35 2jng s MET 30 CO 0.05 -0.29 0.92 1.28 1.05 0.00 0.00 175.02 178.03 2jng n LEU 31 N 4.94 0.56 -4.39 4.11 4.77 -1.01 -0.21 117.00 125.78 2jng n LEU 31 Ca 0.07 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 2jng n LEU 31 Cb 0.49 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2jng n LEU 31 CO 0.51 -0.03 -0.35 -1.81 -1.33 0.00 0.00 177.39 174.38 2jng s ASP 32 N -4.45 2.36 -0.16 -1.43 1.11 -1.25 -4.76 116.67 108.10 2jng s ASP 32 Ca 0.00 -1.21 -0.25 0.00 0.18 0.00 0.00 52.55 51.28 2jng s ASP 32 Cb 0.13 -0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.01 2jng s ASP 32 CO 0.82 -0.42 0.81 -0.62 1.18 0.00 0.00 175.17 176.94 2jng s ASP 33 N -3.39 6.95 -0.35 0.27 2.15 -1.26 -2.74 116.67 118.30 2jng s ASP 33 Ca 0.29 1.16 0.02 0.00 0.43 0.00 0.00 52.55 54.45 2jng s ASP 33 Cb 0.05 -2.45 0.15 0.00 -0.30 0.00 0.00 42.92 40.37 2jng s ASP 33 CO 0.10 -0.37 0.34 -0.47 -0.17 0.00 0.00 175.17 174.61 2jng s TYR 34 N 2.01 -0.23 0.00 -5.34 5.04 0.19 -4.95 117.35 114.07 2jng s TYR 34 Ca 0.38 -0.74 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 2jng s TYR 34 Cb -0.17 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.67 2jng s TYR 34 CO 0.13 -0.94 0.00 0.39 -1.34 0.00 0.00 175.55 173.79 2jng n GLU 35 N 4.50 0.00 0.23 4.97 -0.58 -1.26 -1.42 120.64 127.08 2jng n GLU 35 Ca 0.08 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 2jng n GLU 35 Cb 0.45 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.68 2jng n GLU 35 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jng h GLU 36 N 0.00 0.00 -5.90 3.49 5.08 -2.02 -3.44 114.58 111.79 2jng h GLU 36 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2jng h GLU 36 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2jng h GLU 36 CO 0.00 0.09 -0.35 0.42 -1.00 0.00 0.00 179.01 178.17 2jng s ILE 37 N -3.40 5.26 0.24 3.13 -1.09 -0.51 -5.04 121.20 119.80 2jng s ILE 37 Ca 0.04 0.33 0.11 0.00 -2.23 0.00 0.00 60.65 58.90 2jng s ILE 37 Cb 0.07 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 2jng s ILE 37 CO 0.63 0.44 -0.13 -0.44 -1.23 0.00 0.00 174.94 174.21 2jng s SER 38 N -1.47 3.96 0.12 3.58 0.01 -1.26 -0.64 113.70 118.00 2jng s SER 38 Ca 0.25 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.40 2jng s SER 38 Cb -0.14 -0.53 -0.10 0.00 0.21 0.00 0.00 66.02 65.46 2jng s SER 38 CO 0.14 0.06 1.78 0.00 0.41 0.00 0.00 173.24 175.62 2jng s ALA 39 N -2.15 3.77 0.00 1.44 0.00 -1.11 -1.75 121.76 121.96 2jng s ALA 39 Ca 0.28 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2jng s ALA 39 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2jng s ALA 39 CO 0.15 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2jng n GLY 40 N 4.16 1.11 3.76 0.00 0.00 0.71 -4.97 105.19 109.95 2jng n GLY 40 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.83 5.63 0.09 1.61 1.01 -0.72 -4.75 116.67 117.71 2jng s ASP 41 Ca 0.00 2.54 0.06 0.00 0.71 0.00 0.00 52.55 55.86 2jng s ASP 41 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2jng s ASP 41 CO 0.00 -1.31 -0.15 -1.61 0.21 0.00 0.00 175.17 172.31 2jng s GLU 42 N -2.87 0.94 0.04 8.23 2.02 -1.26 0.04 118.70 125.85 2jng s GLU 42 Ca 0.69 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 2jng s GLU 42 Cb -0.34 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 32.93 2jng s GLU 42 CO 0.41 0.21 0.12 0.41 0.02 0.00 0.00 175.26 176.43 2jng n GLY 43 N 1.00 1.55 3.33 -1.39 0.00 -0.30 -1.76 105.19 107.63 2jng n GLY 43 Ca -0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 1.80 -0.35 1.61 2.12 0.11 -0.16 118.70 121.83 2jng s GLU 44 Ca 0.03 -1.07 -0.24 0.00 0.36 0.00 0.00 54.97 54.04 2jng s GLU 44 Cb -0.01 -1.94 0.01 0.00 0.26 0.00 0.00 34.13 32.45 2jng s GLU 44 CO 0.01 0.51 0.83 0.12 -0.54 0.00 0.00 175.26 176.19 2jng s PHE 45 N -0.78 3.13 -0.13 5.30 5.36 0.53 -0.58 117.98 130.80 2jng s PHE 45 Ca 0.11 0.70 -0.13 0.00 -0.96 0.00 0.00 56.93 56.65 2jng s PHE 45 Cb -0.10 -3.43 -0.11 0.00 -0.34 0.00 0.00 43.02 39.05 2jng s PHE 45 CO 0.02 -0.72 0.21 0.00 -1.46 0.00 0.00 175.22 173.27 2jng h ARG 46 N 8.37 0.00 -1.70 10.12 2.47 -1.86 0.14 114.38 131.92 2jng h ARG 46 Ca -0.24 0.00 0.28 0.00 -1.26 0.00 0.00 59.98 58.76 2jng h ARG 46 Cb 1.09 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.30 2jng h ARG 46 CO 0.93 0.43 0.73 1.14 0.56 0.00 0.00 179.97 183.75 2jng s GLN 47 N -1.99 0.62 0.30 0.04 0.00 -1.21 -4.53 119.66 112.89 2jng s GLN 47 Ca -0.12 -0.34 -0.10 0.00 -0.00 0.00 0.00 55.36 54.79 2jng s GLN 47 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 33.01 33.24 2jng s GLN 47 CO 0.32 -0.28 0.54 -1.54 0.00 0.00 0.00 175.29 174.33 2jng s SER 48 N -2.95 0.25 -0.30 12.60 1.04 -1.26 -2.80 113.70 120.28 2jng s SER 48 Ca 0.13 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.45 2jng s SER 48 Cb 0.03 0.66 0.07 0.00 0.10 0.00 0.00 66.02 66.89 2jng s SER 48 CO -0.02 -1.30 -0.02 0.20 0.98 0.00 0.00 173.24 173.08 2jng s ASN 49 N -3.10 4.67 0.37 7.02 0.01 -1.26 -5.00 114.94 117.65 2jng s ASN 49 Ca 0.23 -1.67 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 2jng s ASN 49 Cb -0.02 -1.62 0.00 0.00 0.41 0.00 0.00 41.25 40.03 2jng s ASN 49 CO 0.13 -0.28 0.00 0.59 -1.51 0.00 0.00 177.10 176.03 2jng n ASN 50 N 4.41 0.00 -2.72 -1.22 4.13 -1.26 -1.83 115.26 116.77 2jng n ASN 50 Ca -0.07 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.17 2jng n ASN 50 Cb 0.42 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.77 2jng n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jng n GLY 51 N 0.00 1.95 3.80 7.41 0.00 -1.26 -5.13 105.19 111.96 2jng n GLY 51 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.07 4.45 0.23 1.61 -7.23 -0.76 -4.98 120.40 112.65 2jng s VAL 52 Ca 0.15 1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 61.72 2jng s VAL 52 Cb 0.41 -3.93 0.23 0.00 0.56 0.00 0.00 36.38 33.65 2jng s VAL 52 CO -0.10 0.23 1.67 -0.65 -0.31 0.00 0.00 175.10 175.93 2jng h PRO 53 N 3.45 0.18 -6.77 4.82 0.11 -1.94 -3.41 132.00 128.45 2jng h PRO 53 Ca -0.47 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 2jng h PRO 53 Cb 1.19 -0.04 0.06 0.00 0.11 0.00 0.00 31.00 32.32 2jng h PRO 53 CO 0.65 0.12 0.74 -1.25 -0.21 0.00 0.00 178.00 178.05 2jng s PRO 54 N -6.09 4.28 -0.01 1.05 0.04 -1.26 -2.50 135.00 130.52 2jng s PRO 54 Ca -0.13 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2jng s PRO 54 Cb 0.21 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2jng s PRO 54 CO 0.75 -0.38 -0.14 0.54 0.04 0.00 0.00 177.00 177.80 2jng s VAL 55 N -0.19 1.11 -0.48 -0.36 0.11 0.14 -4.68 120.40 116.05 2jng s VAL 55 Ca 0.58 -0.62 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 2jng s VAL 55 Cb -0.41 -0.93 0.05 0.00 -1.53 0.00 0.00 36.38 33.56 2jng s VAL 55 CO 0.45 0.29 0.57 -1.58 -3.33 0.00 0.00 175.10 171.50 2jng s GLN 56 N -0.38 3.12 -0.03 1.54 2.00 -1.12 -0.98 119.66 123.81 2jng s GLN 56 Ca 0.05 -0.83 0.07 0.00 -2.00 0.00 0.00 55.36 52.65 2jng s GLN 56 Cb -0.06 -4.05 -0.02 0.00 0.80 0.00 0.00 33.01 29.69 2jng s GLN 56 CO -0.00 -1.09 -0.23 0.08 -0.50 0.00 0.00 175.29 173.54 2jng s VAL 57 N 2.46 1.87 -0.40 1.34 1.01 -0.48 -3.05 120.40 123.15 2jng s VAL 57 Ca 0.14 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 2jng s VAL 57 Cb -0.18 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2jng s VAL 57 CO 0.13 0.53 0.56 0.12 0.00 0.00 0.00 175.10 176.43 2jng s PHE 58 N -0.41 3.13 -0.39 5.22 5.36 0.25 -0.34 117.98 130.80 2jng s PHE 58 Ca 0.05 -0.00 -0.20 0.00 -0.96 0.00 0.00 56.93 55.81 2jng s PHE 58 Cb -0.10 -3.10 0.01 0.00 -0.34 0.00 0.00 43.02 39.49 2jng s PHE 58 CO 0.00 -0.70 0.64 -1.58 -1.46 0.00 0.00 175.22 172.12 2jng s TRP 59 N 2.53 3.11 0.20 10.12 0.52 -0.53 0.09 118.94 134.99 2jng s TRP 59 Ca 0.19 0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.56 2jng s TRP 59 Cb -0.15 -3.23 0.10 0.00 -1.15 0.00 0.00 33.47 29.04 2jng s TRP 59 CO 0.16 -0.73 1.45 0.93 0.02 0.00 0.00 176.95 178.78 2jng h GLU 60 N 8.64 0.10 -0.27 4.98 5.08 -1.63 0.61 114.58 132.09 2jng h GLU 60 Ca -0.26 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 57.90 2jng h GLU 60 Cb 1.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2jng h GLU 60 CO 0.86 0.83 -0.26 0.66 -1.00 0.00 0.00 179.01 180.10 2jng h SER 61 N 0.06 0.53 0.00 1.42 4.64 -1.90 -3.23 113.55 115.08 2jng h SER 61 Ca -0.02 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2jng h SER 61 Cb 1.38 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2jng h SER 61 CO 0.11 0.78 -0.57 0.74 -0.87 0.00 0.00 176.83 177.02 2jng h THR 62 N 0.46 1.25 0.00 2.95 2.02 -1.83 -3.49 112.91 114.27 2jng h THR 62 Ca 0.07 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2jng h THR 62 Cb 0.70 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2jng h THR 62 CO 0.05 0.42 0.00 0.61 0.37 0.00 0.00 175.52 176.98 2jng n GLY 63 N 1.54 1.24 3.23 2.16 0.00 0.21 -5.09 105.19 108.48 2jng n GLY 63 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.48 1.06 0.29 1.61 3.00 -1.13 -4.97 118.95 118.33 2jng s ARG 64 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 55.73 54.10 2jng s ARG 64 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 34.95 34.60 2jng s ARG 64 CO 0.00 -0.10 0.69 0.95 0.00 0.00 0.00 175.30 176.84 2jng s THR 65 N -3.64 4.73 -0.02 0.02 -4.23 -1.26 -1.45 115.64 109.78 2jng s THR 65 Ca 0.21 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.47 2jng s THR 65 Cb 0.06 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2jng s THR 65 CO 0.02 -0.13 0.26 -0.47 -0.54 0.00 0.00 174.62 173.76 2jng s TYR 66 N -1.91 -0.14 -0.34 3.99 5.04 0.54 -4.93 117.35 119.59 2jng s TYR 66 Ca 0.52 0.24 -0.19 0.00 -2.44 0.00 0.00 57.07 55.19 2jng s TYR 66 Cb -0.11 0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.26 2jng s TYR 66 CO 0.18 -0.33 0.56 -1.58 -1.34 0.00 0.00 175.55 173.05 2jng s TRP 67 N -1.11 3.18 0.55 4.97 0.51 -1.25 -1.39 118.94 124.40 2jng s TRP 67 Ca -0.12 0.31 0.03 0.00 -2.12 0.00 0.00 56.10 54.20 2jng s TRP 67 Cb -0.05 -2.99 0.03 0.00 -0.81 0.00 0.00 33.47 29.65 2jng s TRP 67 CO 0.03 -0.54 0.26 0.08 -0.51 0.00 0.00 176.95 176.27 2jng s VAL 68 N 2.51 1.33 -0.14 4.03 1.01 -0.16 -4.81 120.40 124.17 2jng s VAL 68 Ca 0.21 -1.68 -0.06 0.00 0.00 0.00 0.00 61.98 60.45 2jng s VAL 68 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2jng s VAL 68 CO 0.13 0.00 0.08 -1.00 0.00 0.00 0.00 175.10 174.32 2jng s HIS 69 N -2.85 3.38 0.27 5.22 3.76 -1.26 0.25 115.29 124.07 2jng s HIS 69 Ca 0.20 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.39 2jng s HIS 69 Cb -0.02 -1.97 0.60 0.00 1.11 0.00 0.00 32.58 32.30 2jng s HIS 69 CO 0.13 0.47 1.62 -1.49 -0.85 0.00 0.00 174.74 174.61 2jng h TRP 70 N 5.68 0.05 0.00 1.40 4.06 -1.83 0.42 115.95 125.73 2jng h TRP 70 Ca -0.47 0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2jng h TRP 70 Cb 1.19 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.47 2jng h TRP 70 CO 0.65 -0.29 0.00 -2.39 -3.56 0.00 0.00 178.44 172.86 2jng n HIS 71 N -5.35 0.00 0.11 0.49 1.44 -1.26 -2.31 115.22 108.33 2jng n HIS 71 Ca 0.18 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.93 2jng n HIS 71 Cb 0.61 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.72 2jng n HIS 71 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2jng h MET 72 N 0.00 0.00 -6.46 -1.40 2.86 -1.32 -3.47 114.93 105.13 2jng h MET 72 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 2jng h MET 72 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 2jng h MET 72 CO 0.00 0.31 -0.71 -0.48 1.06 0.00 0.00 176.91 177.10 2jng s LEU 73 N -6.08 3.18 -0.11 1.22 0.05 -0.98 -2.40 118.68 113.56 2jng s LEU 73 Ca 0.02 -0.36 -0.08 0.00 0.05 0.00 0.00 54.13 53.76 2jng s LEU 73 Cb 0.08 -1.92 -0.04 0.00 -2.05 0.00 0.00 46.19 42.25 2jng s LEU 73 CO 0.76 0.15 0.17 -0.70 -0.55 0.00 0.00 176.35 176.19 2jng s GLU 74 N -2.43 3.50 -0.42 1.48 2.12 0.20 -4.92 118.70 118.23 2jng s GLU 74 Ca 0.24 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 2jng s GLU 74 Cb -0.11 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.11 2jng s GLU 74 CO 0.16 0.77 1.10 0.96 -0.54 0.00 0.00 175.26 177.70 2jng s ILE 75 N -1.02 4.33 -0.00 -3.70 -4.36 -1.26 -0.58 121.20 114.61 2jng s ILE 75 Ca 0.16 1.36 0.04 0.00 -0.26 0.00 0.00 60.65 61.95 2jng s ILE 75 Cb -0.13 -4.52 -0.25 0.00 1.25 0.00 0.00 42.46 38.81 2jng s ILE 75 CO 0.05 -0.81 0.83 0.25 0.24 0.00 0.00 174.94 175.50 2jng h LEU 76 N 10.78 0.18 0.00 0.37 5.85 -1.43 -3.47 115.31 127.58 2jng h LEU 76 Ca -0.22 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2jng h LEU 76 Cb 1.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2jng h LEU 76 CO 1.09 1.24 0.00 0.61 -0.34 0.00 0.00 178.44 181.04 2jng n GLY 77 N 1.59 -3.47 3.65 3.75 0.00 -0.63 -4.89 105.19 105.20 2jng n GLY 77 Ca -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.67 -0.16 -0.82 1.61 5.36 -1.26 -1.30 117.98 120.75 2jng s PHE 78 Ca 0.00 0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 56.28 2jng s PHE 78 Cb 0.00 0.40 -0.09 0.00 -0.34 0.00 0.00 43.02 42.99 2jng s PHE 78 CO 0.00 -0.08 2.43 -0.85 -1.46 0.00 0.00 175.22 175.26 2jng n GLU 79 N 1.98 2.24 -0.83 10.12 0.28 -1.26 -4.98 120.64 128.18 2jng n GLU 79 Ca -0.12 -1.41 0.00 0.00 -0.16 0.00 0.00 57.16 55.47 2jng n GLU 79 Cb 0.57 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 31.07 2jng n GLU 79 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06