#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 -0.22 3.17 2.47 -1.99 -1.35 114.38 116.46 2jng h ARG 5 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jng h ARG 5 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2jng h ARG 5 CO 0.00 0.02 0.00 0.43 0.56 0.00 0.00 179.97 180.98 2jng n SER 6 N -4.47 0.22 0.00 7.04 7.64 -1.26 -3.66 113.62 119.13 2jng n SER 6 Ca -0.03 -1.52 0.06 0.00 1.01 0.00 0.00 58.87 58.39 2jng n SER 6 Cb 0.11 -0.11 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.32 0.09 -0.05 1.43 0.28 -0.51 -3.70 120.64 117.86 2jng n GLU 7 Ca 0.00 0.22 -0.01 0.00 -0.16 0.00 0.00 57.16 57.21 2jng n GLU 7 Cb 0.06 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.43 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 -1.40 -3.34 -0.20 -1.84 3.01 -1.24 -4.90 117.46 107.54 2jng n PHE 8 Ca 0.05 -0.04 0.01 0.00 1.01 0.00 0.00 57.45 58.48 2jng n PHE 8 Cb 0.13 -0.04 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 -2.01 0.74 0.00 4.37 0.00 -1.96 -3.27 119.26 117.13 2jng h ALA 9 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jng h ALA 9 Cb 0.04 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jng h ALA 9 CO 0.01 -0.28 -0.03 0.45 0.00 0.00 0.00 179.25 179.40 2jng n SER 10 N -5.09 0.15 0.00 0.00 2.88 -1.26 -4.99 113.62 105.31 2jng n SER 10 Ca 0.09 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2jng n SER 10 Cb 0.32 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 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 0.53 2.40 0.23 0.46 0.00 -1.24 -4.86 105.19 102.71 2jng n GLY 11 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.96 1.61 -1.07 -1.91 -3.21 115.58 110.04 2jng h ASN 12 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 56.30 56.60 2jng h ASN 12 Cb 0.00 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.17 2jng h ASN 12 CO 0.00 0.21 0.63 0.74 0.07 0.00 0.00 177.43 179.08 2jng h THR 13 N 0.00 0.62 0.32 6.14 2.02 -1.96 0.26 112.91 120.32 2jng h THR 13 Ca -0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2jng h THR 13 Cb 0.66 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2jng h THR 13 CO 0.03 0.07 -0.24 1.88 0.37 0.00 0.00 175.52 177.63 2jng h TYR 14 N 0.40 -0.64 -0.21 3.16 -1.99 -1.93 0.21 116.97 115.97 2jng h TYR 14 Ca 0.52 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.23 2jng h TYR 14 Cb 1.31 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 40.27 2jng h TYR 14 CO -0.00 -0.37 0.06 0.00 -0.00 0.00 0.00 178.16 177.85 2jng h ALA 15 N 0.05 1.71 -0.02 3.88 0.00 -0.86 -1.05 119.26 122.96 2jng h ALA 15 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jng h ALA 15 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jng h ALA 15 CO -0.00 0.23 -0.11 1.25 0.00 0.00 0.00 179.25 180.62 2jng h LEU 16 N 0.30 0.13 0.39 0.00 5.85 -0.39 -3.25 115.31 118.34 2jng h LEU 16 Ca 0.07 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 2jng h LEU 16 Cb 0.11 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jng h LEU 16 CO -0.00 0.79 -0.19 0.22 -0.34 0.00 0.00 178.44 178.92 2jng h TYR 17 N -0.53 -0.48 -0.52 1.25 3.20 -0.18 -2.75 116.97 116.96 2jng h TYR 17 Ca -0.01 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.00 2jng h TYR 17 Cb 0.79 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2jng h TYR 17 CO 0.16 -0.29 0.39 -0.39 -1.64 0.00 0.00 178.16 176.39 2jng h VAL 18 N -0.54 0.69 -0.89 1.81 -1.51 -1.35 -0.50 116.25 113.95 2jng h VAL 18 Ca -0.05 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.53 2jng h VAL 18 Cb 0.41 0.73 -0.07 0.00 -2.13 0.00 0.00 31.29 30.23 2jng h VAL 18 CO 0.09 0.00 0.57 0.03 -1.23 0.00 0.00 177.57 177.03 2jng h ARG 19 N 0.00 0.79 0.00 5.19 3.08 -1.51 0.40 114.38 122.33 2jng h ARG 19 Ca 0.25 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 2jng h ARG 19 Cb 1.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2jng h ARG 19 CO -0.00 0.52 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.70 2jng h ASP 20 N 0.81 0.00 0.00 7.04 3.32 -1.19 -3.02 116.42 123.38 2jng h ASP 20 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2jng h ASP 20 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2jng h ASP 20 CO -0.19 0.28 -1.58 0.41 -1.72 0.00 0.00 179.24 176.43 2jng n THR 21 N -3.48 0.00 -1.41 0.35 -1.04 -0.71 -4.72 114.28 103.26 2jng n THR 21 Ca -0.00 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.05 61.28 2jng n THR 21 Cb 0.44 0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 69.23 2jng n THR 21 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jng n LEU 22 N -1.95 6.74 -4.82 -4.42 7.99 0.13 -4.91 117.00 115.76 2jng n LEU 22 Ca -0.02 -3.86 -0.31 0.00 -0.01 0.00 0.00 56.01 51.81 2jng n LEU 22 Cb 0.42 -1.48 0.06 0.00 -0.11 0.00 0.00 43.42 42.31 2jng n LEU 22 CO 0.37 1.09 0.71 0.00 -1.51 0.00 0.00 177.39 178.05 2jng s GLN 23 N 3.23 2.64 -0.46 3.23 -2.07 -1.26 -4.91 119.66 120.06 2jng s GLN 23 Ca 0.54 0.82 -0.28 0.00 -1.82 0.00 0.00 55.36 54.62 2jng s GLN 23 Cb 0.15 -1.97 -0.09 0.00 -1.09 0.00 0.00 33.01 30.01 2jng s GLN 23 CO -0.04 -1.27 2.37 -2.30 -1.32 0.00 0.00 175.29 172.73 2jng n PRO 24 N -3.23 1.14 0.00 9.60 -0.02 -1.26 -1.34 135.00 139.89 2jng n PRO 24 Ca 0.07 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2jng n PRO 24 Cb 0.55 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 6.09 0.31 3.53 -1.23 0.00 -1.26 -5.10 105.19 107.53 2jng n GLY 25 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 3.35 0.48 1.61 -1.94 -0.45 -3.74 119.30 118.61 2jng s MET 26 Ca 0.00 -0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 53.53 2jng s MET 26 Cb 0.00 -3.94 -0.07 0.00 2.01 0.00 0.00 34.83 32.83 2jng s MET 26 CO 0.00 -1.05 1.11 1.03 -0.01 0.00 0.00 175.02 176.11 2jng s ARG 27 N 3.03 3.70 0.19 2.03 0.52 -1.26 -3.11 118.95 124.04 2jng s ARG 27 Ca 0.26 1.61 0.09 0.00 -0.52 0.00 0.00 55.73 57.16 2jng s ARG 27 Cb -0.13 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 2jng s ARG 27 CO 0.20 -0.57 -0.18 0.14 0.02 0.00 0.00 175.30 174.92 2jng s VAL 28 N -1.72 1.90 -0.07 3.52 -7.23 0.19 -0.78 120.40 116.21 2jng s VAL 28 Ca 0.66 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2jng s VAL 28 Cb -0.24 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2jng s VAL 28 CO 0.28 -0.40 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.94 2jng s ARG 29 N -3.13 1.81 -0.12 4.82 3.52 0.56 -0.30 118.95 126.11 2jng s ARG 29 Ca 0.20 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 2jng s ARG 29 Cb -0.04 -1.48 -0.03 0.00 -1.56 0.00 0.00 34.95 31.84 2jng s ARG 29 CO 0.08 0.05 1.41 1.41 -0.81 0.00 0.00 175.30 177.43 2jng s MET 30 N 0.60 4.22 0.03 5.12 -2.45 0.11 0.79 119.30 127.72 2jng s MET 30 Ca -0.14 1.86 0.02 0.00 -1.25 0.00 0.00 55.69 56.17 2jng s MET 30 Cb -0.16 -3.84 -0.25 0.00 1.25 0.00 0.00 34.83 31.83 2jng s MET 30 CO 0.04 -0.75 0.94 -0.07 1.05 0.00 0.00 175.02 176.22 2jng h LEU 31 N 9.87 0.23 -8.97 4.11 3.38 -0.85 0.47 115.31 123.55 2jng h LEU 31 Ca -0.31 -0.31 -0.54 0.00 0.09 0.00 0.00 57.88 56.81 2jng h LEU 31 Cb 1.13 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 2jng h LEU 31 CO 0.96 1.26 -0.76 -0.62 0.09 0.00 0.00 178.44 179.37 2jng s ASP 32 N -6.76 2.97 0.07 -0.43 2.15 -1.25 -4.62 116.67 108.80 2jng s ASP 32 Ca -0.06 -0.96 -0.27 0.00 0.43 0.00 0.00 52.55 51.69 2jng s ASP 32 Cb 0.08 -0.20 -0.06 0.00 -0.30 0.00 0.00 42.92 42.44 2jng s ASP 32 CO 0.84 -0.04 0.84 1.51 -0.17 0.00 0.00 175.17 178.15 2jng s ASP 33 N -3.11 7.33 -0.29 -0.34 -4.77 -1.26 -3.65 116.67 110.58 2jng s ASP 33 Ca 0.22 1.59 -0.00 0.00 -3.30 0.00 0.00 52.55 51.06 2jng s ASP 33 Cb -0.04 -2.52 0.18 0.00 -1.09 0.00 0.00 42.92 39.45 2jng s ASP 33 CO 0.09 -0.01 0.55 -0.47 0.70 0.00 0.00 175.17 176.03 2jng s TYR 34 N -0.06 -1.47 0.00 2.11 5.04 0.85 -4.94 117.35 118.88 2jng s TYR 34 Ca 0.42 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2jng s TYR 34 Cb -0.22 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.49 2jng s TYR 34 CO 0.26 -0.89 0.00 0.39 -1.34 0.00 0.00 175.55 173.97 2jng n GLU 35 N 5.41 0.00 0.18 4.97 -0.58 -1.26 -1.56 120.64 127.81 2jng n GLU 35 Ca -0.01 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.78 2jng n GLU 35 Cb 0.51 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.66 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 -5.94 3.49 5.08 -2.03 -3.45 114.58 111.74 2jng h GLU 36 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2jng h GLU 36 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2jng h GLU 36 CO 0.00 0.41 -0.49 0.42 -1.00 0.00 0.00 179.01 178.35 2jng s ILE 37 N -3.48 5.37 0.31 3.13 -1.09 -0.60 -5.09 121.20 119.76 2jng s ILE 37 Ca 0.01 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 2jng s ILE 37 Cb 0.10 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2jng s ILE 37 CO 0.70 0.10 0.11 -0.94 -1.23 0.00 0.00 174.94 173.68 2jng s SER 38 N -2.63 1.81 0.13 3.58 1.04 -1.26 -0.10 113.70 116.27 2jng s SER 38 Ca 0.35 -1.47 -0.31 0.00 0.48 0.00 0.00 55.95 55.00 2jng s SER 38 Cb -0.13 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.12 2jng s SER 38 CO 0.28 -0.77 1.56 0.00 0.98 0.00 0.00 173.24 175.29 2jng s ALA 39 N -3.52 3.72 0.00 5.32 0.00 -1.24 -2.37 121.76 123.67 2jng s ALA 39 Ca 0.35 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2jng s ALA 39 Cb 0.06 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2jng s ALA 39 CO 0.15 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2jng n GLY 40 N 3.79 3.01 3.76 0.00 0.00 0.17 -5.00 105.19 110.92 2jng n GLY 40 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.22 6.43 0.05 1.61 1.01 -1.00 -4.69 116.67 118.85 2jng s ASP 41 Ca 0.00 2.92 0.04 0.00 0.71 0.00 0.00 52.55 56.22 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 -0.85 -0.04 -1.61 0.21 0.00 0.00 175.17 172.88 2jng s GLU 42 N -1.00 2.54 0.27 8.23 2.02 -1.26 0.08 118.70 129.58 2jng s GLU 42 Ca 0.59 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.66 2jng s GLU 42 Cb -0.46 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.25 2jng s GLU 42 CO 0.52 0.57 0.55 0.20 0.02 0.00 0.00 175.26 177.12 2jng s GLY 43 N -1.85 0.48 -0.10 -1.39 0.00 0.58 -0.34 107.32 104.71 2jng s GLY 43 Ca 0.21 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 2jng s GLY 43 CO 0.12 -0.53 0.02 1.85 0.00 0.00 0.00 173.10 174.57 2jng s GLU 44 N -3.80 3.10 -0.30 2.90 2.56 0.23 0.53 118.70 123.92 2jng s GLU 44 Ca 0.20 -0.38 -0.25 0.00 0.00 0.00 0.00 54.97 54.55 2jng s GLU 44 Cb -0.02 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.26 2jng s GLU 44 CO 0.10 0.68 0.86 0.12 -0.56 0.00 0.00 175.26 176.46 2jng s PHE 45 N -0.80 3.21 -0.21 5.30 5.36 -1.18 -0.68 117.98 128.98 2jng s PHE 45 Ca 0.12 0.95 -0.19 0.00 -0.96 0.00 0.00 56.93 56.85 2jng s PHE 45 Cb -0.12 -3.31 -0.16 0.00 -0.34 0.00 0.00 43.02 39.09 2jng s PHE 45 CO 0.02 -0.59 0.10 0.54 -1.46 0.00 0.00 175.22 173.83 2jng n ARG 46 N 6.34 0.56 0.00 10.12 1.74 -1.08 -4.35 116.66 129.99 2jng n ARG 46 Ca 0.06 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2jng n ARG 46 Cb 0.48 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -4.43 -0.44 -4.36 5.56 0.00 -1.17 -4.95 117.38 107.59 2jng n GLN 47 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.42 2jng n GLN 47 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.80 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 3.94 -0.34 2.61 1.04 -1.26 -0.08 113.70 119.62 2jng s SER 48 Ca 0.00 -0.74 -0.25 0.00 0.48 0.00 0.00 55.95 55.43 2jng s SER 48 Cb 0.00 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.60 2jng s SER 48 CO 0.00 0.09 0.89 0.20 0.98 0.00 0.00 173.24 175.39 2jng s ASN 49 N -3.00 6.70 0.00 7.02 0.01 -0.45 -3.73 114.94 121.49 2jng s ASN 49 Ca 0.25 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.07 2jng s ASN 49 Cb -0.08 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2jng s ASN 49 CO 0.14 -0.76 0.00 0.59 -1.51 0.00 0.00 177.10 175.56 2jng n ASN 50 N 6.54 0.00 0.00 -1.22 4.13 -1.26 -2.67 115.26 120.79 2jng n ASN 50 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2jng n ASN 50 Cb 0.48 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 -2.00 0.84 2.04 7.41 0.00 -1.24 -5.07 105.19 107.17 2jng n GLY 51 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.82 0.00 -0.25 1.61 0.24 -1.09 -5.04 118.33 110.99 2jng n VAL 52 Ca 0.00 -1.30 0.06 0.00 -2.04 0.00 0.00 64.34 61.06 2jng n VAL 52 Cb 0.21 0.14 0.13 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.83 -0.06 -1.66 7.34 -0.01 -1.26 -4.32 135.00 134.20 2jng n PRO 53 Ca -0.09 1.07 -0.42 0.00 -0.01 0.00 0.00 63.50 64.05 2jng n PRO 53 Cb 0.35 -1.63 -0.03 0.00 -0.01 0.00 0.00 33.50 32.18 2jng n PRO 53 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 2jng s PRO 54 N -5.80 3.83 -0.01 0.52 0.04 -1.26 -2.94 135.00 129.38 2jng s PRO 54 Ca -0.10 2.42 0.04 0.00 0.04 0.00 0.00 61.00 63.41 2jng s PRO 54 Cb 0.19 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 2jng s PRO 54 CO 0.54 -1.31 -0.14 0.54 0.04 0.00 0.00 177.00 176.68 2jng s VAL 55 N 5.64 1.07 -0.33 -0.36 0.11 0.25 -1.34 120.40 125.45 2jng s VAL 55 Ca 0.92 -0.58 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 2jng s VAL 55 Cb -0.39 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2jng s VAL 55 CO 0.39 0.30 0.22 -1.58 -3.33 0.00 0.00 175.10 171.11 2jng s GLN 56 N -0.31 3.53 -0.08 1.54 0.74 0.89 0.31 119.66 126.29 2jng s GLN 56 Ca 0.05 -0.61 0.04 0.00 0.05 0.00 0.00 55.36 54.88 2jng s GLN 56 Cb -0.05 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.31 2jng s GLN 56 CO -0.00 -0.41 -0.19 0.08 -0.55 0.00 0.00 175.29 174.22 2jng s VAL 57 N 1.71 1.64 -0.29 1.34 1.01 0.97 -2.63 120.40 124.15 2jng s VAL 57 Ca 0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2jng s VAL 57 Cb -0.17 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2jng s VAL 57 CO 0.10 0.47 0.72 0.12 0.00 0.00 0.00 175.10 176.50 2jng s PHE 58 N 0.38 3.23 -0.28 5.22 5.36 0.15 -0.41 117.98 131.63 2jng s PHE 58 Ca -0.14 0.78 -0.16 0.00 -0.96 0.00 0.00 56.93 56.44 2jng s PHE 58 Cb -0.16 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 2jng s PHE 58 CO 0.06 -0.48 0.44 -1.58 -1.46 0.00 0.00 175.22 172.19 2jng s TRP 59 N 2.77 3.24 0.03 10.12 0.52 -0.24 0.77 118.94 136.15 2jng s TRP 59 Ca 0.29 0.42 -0.22 0.00 0.02 0.00 0.00 56.10 56.62 2jng s TRP 59 Cb -0.15 -2.68 -0.15 0.00 -1.15 0.00 0.00 33.47 29.35 2jng s TRP 59 CO 0.11 -0.30 1.37 0.93 0.02 0.00 0.00 176.95 179.08 2jng h GLU 60 N 8.19 0.26 -0.29 4.98 5.08 -0.98 0.41 114.58 132.23 2jng h GLU 60 Ca -0.30 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2jng h GLU 60 Cb 1.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2jng h GLU 60 CO 0.69 0.62 0.10 0.66 -1.00 0.00 0.00 179.01 180.08 2jng h SER 61 N -0.10 0.36 0.00 1.42 4.64 -1.92 -3.18 113.55 114.76 2jng h SER 61 Ca 0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jng h SER 61 Cb 0.55 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2jng h SER 61 CO 0.02 0.35 -0.24 0.74 -0.87 0.00 0.00 176.83 176.83 2jng h THR 62 N 0.40 0.00 0.00 2.95 2.02 -1.85 -3.49 112.91 112.94 2jng h THR 62 Ca 0.10 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2jng h THR 62 Cb 0.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2jng h THR 62 CO -0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.49 2jng n GLY 63 N 1.71 1.41 3.19 2.16 0.00 0.14 -5.09 105.19 108.72 2jng n GLY 63 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 0.89 0.16 1.61 1.70 -1.19 -4.94 118.95 116.93 2jng s ARG 64 Ca 0.00 -1.19 -0.09 0.00 -0.47 0.00 0.00 55.73 53.98 2jng s ARG 64 Cb 0.00 -0.60 -0.06 0.00 -0.57 0.00 0.00 34.95 33.72 2jng s ARG 64 CO 0.00 0.10 0.46 0.99 -1.08 0.00 0.00 175.30 175.77 2jng s THR 65 N -2.45 5.03 -0.04 4.99 2.01 -1.26 -1.08 115.64 122.84 2jng s THR 65 Ca 0.07 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 2jng s THR 65 Cb -0.03 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2jng s THR 65 CO 0.01 0.08 0.34 -0.47 -0.69 0.00 0.00 174.62 173.88 2jng s TYR 66 N -1.64 -0.26 -0.30 4.92 5.04 0.46 -4.95 117.35 120.62 2jng s TYR 66 Ca 0.41 0.47 -0.20 0.00 -2.44 0.00 0.00 57.07 55.31 2jng s TYR 66 Cb -0.12 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 2jng s TYR 66 CO 0.21 -0.36 0.63 -1.58 -1.34 0.00 0.00 175.55 173.12 2jng s TRP 67 N -0.98 3.22 0.28 4.97 0.51 -1.26 -0.02 118.94 125.67 2jng s TRP 67 Ca -0.10 0.61 0.00 0.00 -2.12 0.00 0.00 56.10 54.49 2jng s TRP 67 Cb -0.04 -2.98 0.00 0.00 -0.81 0.00 0.00 33.47 29.64 2jng s TRP 67 CO 0.04 -0.46 0.02 0.28 -0.51 0.00 0.00 176.95 176.31 2jng n VAL 68 N 5.38 0.00 -4.26 4.03 0.31 0.15 -4.85 118.33 119.09 2jng n VAL 68 Ca -0.01 -1.29 -0.35 0.00 -0.01 0.00 0.00 64.34 62.68 2jng n VAL 68 Cb 0.49 0.21 -0.09 0.00 -0.91 0.00 0.00 33.84 33.54 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 -1.94 3.26 0.34 3.52 3.76 -1.26 -0.58 115.29 122.39 2jng s HIS 69 Ca 0.02 0.27 0.12 0.00 -0.15 0.00 0.00 55.06 55.32 2jng s HIS 69 Cb -0.00 -1.83 0.98 0.00 1.11 0.00 0.00 32.58 32.85 2jng s HIS 69 CO 0.01 0.53 1.71 -1.49 -0.85 0.00 0.00 174.74 174.64 2jng h TRP 70 N 5.14 0.95 0.00 1.40 4.06 -1.89 0.41 115.95 126.02 2jng h TRP 70 Ca -0.52 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.47 2jng h TRP 70 Cb 1.20 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 2jng h TRP 70 CO 0.66 -0.02 0.00 -2.39 -3.56 0.00 0.00 178.44 173.13 2jng n HIS 71 N -4.92 0.00 0.05 0.49 1.44 -1.26 -1.97 115.22 109.06 2jng n HIS 71 Ca 0.29 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.95 2jng n HIS 71 Cb 0.85 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.87 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 -6.09 -1.40 2.86 -1.32 -3.48 114.93 105.50 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 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 2jng h MET 72 CO 0.00 0.71 -0.60 -0.48 1.06 0.00 0.00 176.91 177.60 2jng s LEU 73 N -6.40 3.79 -0.04 1.22 0.05 -0.83 -0.16 118.68 116.30 2jng s LEU 73 Ca -0.00 0.06 -0.02 0.00 0.05 0.00 0.00 54.13 54.22 2jng s LEU 73 Cb 0.09 -2.29 -0.04 0.00 -2.05 0.00 0.00 46.19 41.90 2jng s LEU 73 CO 0.81 0.24 0.06 -0.70 -0.55 0.00 0.00 176.35 176.21 2jng s GLU 74 N -1.92 3.08 -0.45 1.48 2.12 0.24 -4.88 118.70 118.36 2jng s GLU 74 Ca 0.24 -0.42 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 2jng s GLU 74 Cb -0.12 -2.88 0.03 0.00 0.26 0.00 0.00 34.13 31.42 2jng s GLU 74 CO 0.16 0.68 0.67 -1.50 -0.54 0.00 0.00 175.26 174.73 2jng s ILE 75 N -1.08 4.79 -0.14 -3.70 2.07 -1.26 -0.32 121.20 121.56 2jng s ILE 75 Ca 0.19 0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.59 2jng s ILE 75 Cb -0.12 -4.25 -0.23 0.00 0.13 0.00 0.00 42.46 37.99 2jng s ILE 75 CO 0.09 -0.67 0.30 0.18 -1.91 0.00 0.00 174.94 172.93 2jng n LEU 76 N 6.37 1.22 0.00 8.50 7.99 -0.99 -5.00 117.00 135.09 2jng n LEU 76 Ca -0.02 0.17 0.04 0.00 -0.01 0.00 0.00 56.01 56.20 2jng n LEU 76 Cb 0.48 -0.11 -0.01 0.00 -0.11 0.00 0.00 43.42 43.66 2jng n LEU 76 CO 0.55 0.59 -0.06 0.61 -1.51 0.00 0.00 177.39 177.57 2jng n GLY 77 N 1.80 -1.73 3.12 -0.72 0.00 0.04 -4.90 105.19 102.79 2jng n GLY 77 Ca -0.29 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.66 -0.47 0.00 1.61 5.36 -1.25 -3.98 117.98 118.59 2jng s PHE 78 Ca 0.00 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 2jng s PHE 78 Cb 0.00 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 2jng s PHE 78 CO 0.00 -0.31 0.00 0.39 -1.46 0.00 0.00 175.22 173.84 2jng n GLU 79 N 4.59 0.00 0.00 10.12 1.02 -1.26 -4.82 120.64 130.29 2jng n GLU 79 Ca -0.19 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.05 2jng n GLU 79 Cb 0.52 -1.96 0.61 0.00 -0.02 0.00 0.00 31.44 30.59 2jng n GLU 79 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40