#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djg s THR 2 N 0.00 2.08 -0.43 -3.53 -4.23 -1.26 -5.00 115.64 103.27 2djg s THR 2 Ca 0.00 -0.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.65 2djg s THR 2 Cb 0.00 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.07 2djg s THR 2 CO 0.00 0.00 1.67 -2.65 -0.54 0.00 0.00 174.62 173.10 2djg n PRO 3 N -3.20 0.17 -1.80 3.99 -0.02 -1.26 -4.87 135.00 128.01 2djg n PRO 3 Ca 0.08 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 2djg n PRO 3 Cb 0.61 -1.87 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2djg n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2djg s ALA 4 N -3.36 2.98 -0.42 3.55 0.00 -1.26 -4.97 121.76 118.28 2djg s ALA 4 Ca 0.02 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.43 2djg s ALA 4 Cb 0.08 -3.57 0.25 0.00 0.00 0.00 0.00 23.12 19.88 2djg s ALA 4 CO 0.32 -1.29 0.54 -1.71 0.00 0.00 0.00 175.76 173.62 2djg n ASN 5 N -0.71 0.53 -4.94 0.00 5.15 -1.26 -4.70 115.26 109.33 2djg n ASN 5 Ca 0.08 -2.76 -0.24 0.00 -0.60 0.00 0.00 54.58 51.06 2djg n ASN 5 Cb 0.44 -0.64 -0.00 0.00 -0.53 0.00 0.00 39.78 39.04 2djg n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2djg s THR 7 N -2.44 2.77 0.25 0.00 -4.23 -1.26 -4.49 115.64 106.23 2djg s THR 7 Ca 0.43 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2djg s THR 7 Cb -0.10 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.94 2djg s THR 7 CO 0.38 -0.11 1.84 0.22 -0.54 0.00 0.00 174.62 176.40 2djg h TYR 8 N 1.45 1.12 -0.88 3.99 3.20 -1.99 -1.74 116.97 122.13 2djg h TYR 8 Ca -0.43 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.36 2djg h TYR 8 Cb 1.25 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 2djg h TYR 8 CO 0.61 0.83 0.48 -0.07 -1.64 0.00 0.00 178.16 178.37 2djg h LEU 9 N 1.11 1.10 -1.70 2.82 3.38 -1.95 -1.28 115.31 118.78 2djg h LEU 9 Ca 0.27 -0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.37 2djg h LEU 9 Cb 0.14 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2djg h LEU 9 CO -0.03 0.89 0.62 0.44 0.09 0.00 0.00 178.44 180.45 2djg h ASP 10 N 1.23 0.24 0.60 -0.43 3.45 -1.70 -2.72 116.42 117.08 2djg h ASP 10 Ca 0.31 0.03 -0.28 0.00 0.43 0.00 0.00 57.03 57.52 2djg h ASP 10 Cb 0.04 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2djg h ASP 10 CO -0.05 0.08 -1.38 0.25 -1.57 0.00 0.00 179.24 176.57 2djg h LEU 11 N 0.23 0.29 -9.92 1.55 5.85 -0.92 -3.46 115.31 108.94 2djg h LEU 11 Ca 0.46 -0.37 -0.53 0.00 0.84 0.00 0.00 57.88 58.29 2djg h LEU 11 Cb 1.43 -0.09 0.08 0.00 0.37 0.00 0.00 40.66 42.45 2djg h LEU 11 CO -0.12 1.30 0.67 -0.76 -0.34 0.00 0.00 178.44 179.19 2djg s LEU 12 N -6.88 4.34 0.00 2.25 1.43 -0.94 -4.79 118.68 114.09 2djg s LEU 12 Ca -0.06 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 2djg s LEU 12 Cb 0.08 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2djg s LEU 12 CO 0.85 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2djg n GLY 13 N 0.68 0.55 3.45 -3.19 0.00 -0.48 -4.99 105.19 101.21 2djg n GLY 13 Ca 0.01 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 2djg n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2djg s THR 14 N -1.69 4.32 -0.01 2.61 2.01 -1.26 -0.61 115.64 121.01 2djg s THR 14 Ca 0.00 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2djg s THR 14 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2djg s THR 14 CO 0.00 0.34 -0.09 0.26 -0.69 0.00 0.00 174.62 174.44 2djg s TRP 15 N 1.57 2.83 -0.16 4.92 0.52 -0.21 -0.33 118.94 128.07 2djg s TRP 15 Ca 0.06 -0.08 -0.00 0.00 0.02 0.00 0.00 56.10 56.10 2djg s TRP 15 Cb -0.15 -1.60 -0.00 0.00 -1.15 0.00 0.00 33.47 30.57 2djg s TRP 15 CO 0.04 0.33 -0.14 0.08 0.02 0.00 0.00 176.95 177.27 2djg s VAL 16 N -0.93 2.69 -0.21 4.03 1.01 -0.43 -1.46 120.40 125.09 2djg s VAL 16 Ca 0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2djg s VAL 16 Cb -0.11 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 2djg s VAL 16 CO 0.06 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.31 2djg s PHE 17 N 0.92 3.04 -0.21 5.22 0.08 0.22 -1.72 117.98 125.53 2djg s PHE 17 Ca -0.03 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.38 2djg s PHE 17 Cb -0.15 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2djg s PHE 17 CO -0.02 -0.31 0.25 -0.65 -0.10 0.00 0.00 175.22 174.39 2djg s GLN 18 N 1.20 4.16 -0.13 0.44 -1.52 -0.55 -0.58 119.66 122.69 2djg s GLN 18 Ca 0.03 -0.06 -0.00 0.00 -1.95 0.00 0.00 55.36 53.39 2djg s GLN 18 Cb -0.15 -3.49 -0.01 0.00 -0.22 0.00 0.00 33.01 29.14 2djg s GLN 18 CO 0.01 0.11 -0.13 0.08 -0.25 0.00 0.00 175.29 175.12 2djg s VAL 19 N 0.88 3.03 0.21 1.09 1.01 0.37 -1.46 120.40 125.52 2djg s VAL 19 Ca 0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2djg s VAL 19 Cb -0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2djg s VAL 19 CO 0.04 0.52 0.03 -0.83 0.00 0.00 0.00 175.10 174.86 2djg s GLY 20 N 0.39 1.42 -0.78 4.51 0.00 0.11 -1.14 107.32 111.83 2djg s GLY 20 Ca -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 44.72 42.88 2djg s GLY 20 CO 0.05 -1.57 0.53 1.44 0.00 0.00 0.00 173.10 173.56 2djg n SER 21 N -0.33 -4.26 -4.61 1.64 7.64 -1.26 -0.82 113.62 111.62 2djg n SER 21 Ca -0.04 -0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.31 2djg n SER 21 Cb 0.64 -2.95 0.17 0.00 -1.01 0.00 0.00 64.21 61.06 2djg n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2djg s SER 22 N -3.05 2.75 -1.50 6.43 0.15 -1.26 -3.49 113.70 113.72 2djg s SER 22 Ca 0.26 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2djg s SER 22 Cb -0.12 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2djg s SER 22 CO 0.33 -3.03 0.00 0.61 1.20 0.00 0.00 173.24 172.35 2djg n GLY 23 N -1.61 1.37 3.95 9.45 0.00 -1.20 -4.95 105.19 112.21 2djg n GLY 23 Ca 0.07 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2djg n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djg s SER 24 N -2.57 3.75 0.52 1.61 0.01 -0.64 -4.84 113.70 111.54 2djg s SER 24 Ca 0.00 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.34 2djg s SER 24 Cb 0.00 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.00 2djg s SER 24 CO 0.00 -2.29 0.35 0.00 0.41 0.00 0.00 173.24 171.71 2djg n GLN 25 N -3.33 0.73 0.31 12.44 3.00 -1.26 -0.45 117.38 128.81 2djg n GLN 25 Ca 0.14 -3.31 0.19 0.00 -0.01 0.00 0.00 57.00 54.01 2djg n GLN 25 Cb 0.60 0.41 0.98 0.00 0.00 0.00 0.00 30.24 32.23 2djg n GLN 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2djg h ARG 26 N 0.00 0.00 -0.06 -1.09 0.11 -1.83 -1.54 114.38 109.97 2djg h ARG 26 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2djg h ARG 26 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2djg h ARG 26 CO 0.54 0.02 0.00 -0.40 0.10 0.00 0.00 179.97 180.23 2djg n ASP 27 N -3.28 0.37 -4.63 0.08 5.68 -1.26 -4.93 116.55 108.58 2djg n ASP 27 Ca -0.02 -1.79 -0.44 0.00 -0.50 0.00 0.00 54.79 52.04 2djg n ASP 27 Cb 0.16 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 2djg n ASP 27 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2djg n VAL 28 N -0.40 1.86 -3.53 2.12 3.14 -0.58 -4.92 118.33 116.02 2djg n VAL 28 Ca 0.07 -0.46 -0.42 0.00 -2.96 0.00 0.00 64.34 60.57 2djg n VAL 28 Cb 0.08 -1.19 -0.09 0.00 -1.06 0.00 0.00 33.84 31.58 2djg n VAL 28 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2djg s ASN 29 N -0.39 5.83 0.43 6.55 3.84 -1.26 -4.96 114.94 124.97 2djg s ASN 29 Ca 0.59 -1.37 0.23 0.00 0.21 0.00 0.00 52.86 52.53 2djg s ASN 29 Cb -0.67 -2.06 0.70 0.00 -0.55 0.00 0.00 41.25 38.67 2djg s ASN 29 CO 0.59 -0.55 1.73 0.00 -2.79 0.00 0.00 177.10 176.08 2djg n SER 31 N -3.25 0.14 -1.86 0.00 3.41 -1.26 -1.84 113.62 108.97 2djg n SER 31 Ca 0.01 0.53 -0.19 0.00 -0.26 0.00 0.00 58.87 58.97 2djg n SER 31 Cb 0.49 -0.56 0.17 0.00 -0.26 0.00 0.00 64.21 64.05 2djg n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2djg n VAL 32 N -1.66 3.00 -2.12 -3.33 0.24 -1.06 -4.99 118.33 108.41 2djg n VAL 32 Ca 0.04 -2.47 -0.43 0.00 -2.04 0.00 0.00 64.34 59.44 2djg n VAL 32 Cb 0.21 -0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 2djg n VAL 32 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2djg s MET 33 N -3.37 3.66 0.00 7.34 1.75 -0.76 -4.93 119.30 122.99 2djg s MET 33 Ca 0.53 1.52 0.00 0.00 -1.25 0.00 0.00 55.69 56.49 2djg s MET 33 Cb 0.46 -4.07 0.00 0.00 2.84 0.00 0.00 34.83 34.06 2djg s MET 33 CO 0.05 -1.45 0.00 0.41 -0.65 0.00 0.00 175.02 173.38 2djg n GLY 34 N 4.88 0.20 3.67 2.11 0.00 -1.26 -4.99 105.19 109.80 2djg n GLY 34 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2djg n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djg s PRO 35 N 1.36 4.27 0.07 1.61 0.04 -1.26 -4.96 135.00 136.12 2djg s PRO 35 Ca 0.00 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2djg s PRO 35 Cb 0.00 -3.70 -0.07 0.00 0.04 0.00 0.00 34.50 30.78 2djg s PRO 35 CO 0.00 -0.63 0.59 -0.65 0.04 0.00 0.00 177.00 176.35 2djg s GLN 36 N 2.97 4.26 -0.00 4.56 -0.21 -1.26 -4.13 119.66 125.84 2djg s GLN 36 Ca 0.60 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.77 2djg s GLN 36 Cb -0.27 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 2djg s GLN 36 CO 0.22 0.60 0.02 0.39 -2.12 0.00 0.00 175.29 174.40 2djg n GLU 37 N 1.84 4.55 -3.81 2.91 -0.58 -0.29 -4.95 120.64 120.31 2djg n GLU 37 Ca -0.09 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.54 2djg n GLU 37 Cb 0.51 -0.69 -0.08 0.00 -0.57 0.00 0.00 31.44 30.61 2djg n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2djg s LYS 38 N -1.39 0.79 0.11 3.49 2.47 -1.17 -5.03 119.74 119.01 2djg s LYS 38 Ca 0.00 -0.70 0.08 0.00 -1.56 0.00 0.00 55.97 53.80 2djg s LYS 38 Cb 0.00 0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.67 2djg s LYS 38 CO 0.03 -0.25 -0.21 -1.59 0.16 0.00 0.00 175.35 173.49 2djg s LYS 39 N -3.01 1.14 -0.04 4.03 -2.85 -1.26 -0.48 119.74 117.27 2djg s LYS 39 Ca -0.02 -1.19 0.02 0.00 -1.00 0.00 0.00 55.97 53.78 2djg s LYS 39 Cb 0.01 -1.40 0.02 0.00 -2.06 0.00 0.00 37.83 34.40 2djg s LYS 39 CO -0.06 0.32 -0.07 0.08 0.10 0.00 0.00 175.35 175.72 2djg s VAL 40 N -1.24 0.69 -0.20 1.79 1.01 0.26 -4.98 120.40 117.73 2djg s VAL 40 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2djg s VAL 40 Cb -0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2djg s VAL 40 CO 0.04 0.25 0.30 -0.69 0.00 0.00 0.00 175.10 175.01 2djg s VAL 41 N 0.69 5.27 -0.05 2.92 1.01 -1.26 -0.61 120.40 128.37 2djg s VAL 41 Ca -0.11 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2djg s VAL 41 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2djg s VAL 41 CO 0.01 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 2djg s VAL 42 N 0.96 1.21 -0.15 2.92 1.01 -0.54 -3.98 120.40 121.83 2djg s VAL 42 Ca 0.15 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2djg s VAL 42 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2djg s VAL 42 CO 0.06 0.36 0.02 -0.31 0.00 0.00 0.00 175.10 175.23 2djg s TYR 43 N 0.31 3.18 -0.20 5.22 2.02 0.22 -1.05 117.35 127.06 2djg s TYR 43 Ca -0.08 0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2djg s TYR 43 Cb -0.13 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 2djg s TYR 43 CO 0.03 0.19 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.59 2djg s LEU 44 N 0.04 2.63 0.01 -1.29 1.43 0.22 0.21 118.68 121.94 2djg s LEU 44 Ca 0.04 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2djg s LEU 44 Cb -0.13 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2djg s LEU 44 CO 0.01 0.01 -0.20 -1.10 0.23 0.00 0.00 176.35 175.30 2djg s GLN 45 N 1.30 1.48 1.08 1.70 -0.21 0.38 -1.38 119.66 124.01 2djg s GLN 45 Ca 0.04 -0.81 -0.17 0.00 0.02 0.00 0.00 55.36 54.44 2djg s GLN 45 Cb -0.14 -1.51 0.10 0.00 1.00 0.00 0.00 33.01 32.46 2djg s GLN 45 CO -0.05 0.40 0.17 0.36 -2.12 0.00 0.00 175.29 174.04 2djg n LYS 46 N 2.24 -1.32 0.00 2.91 0.00 -1.26 -1.60 118.16 119.13 2djg n LYS 46 Ca -0.16 -0.36 0.00 0.00 -0.00 0.00 0.00 58.31 57.79 2djg n LYS 46 Cb 0.53 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 2djg n LYS 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2djg n LEU 47 N -1.79 0.00 -0.94 -5.58 4.77 -1.26 -4.59 117.00 107.61 2djg n LEU 47 Ca 0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 2djg n LEU 47 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 2djg n LEU 47 CO 0.52 0.00 0.32 -0.90 -1.33 0.00 0.00 177.39 176.00 2djg n ASP 48 N -0.39 -0.77 -4.65 -1.43 3.85 -1.13 -4.98 116.55 107.06 2djg n ASP 48 Ca 0.00 -1.85 -0.39 0.00 -0.71 0.00 0.00 54.79 51.84 2djg n ASP 48 Cb 0.00 0.23 -0.08 0.00 -1.35 0.00 0.00 41.12 39.92 2djg n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2djg s THR 49 N 0.00 5.15 -0.10 2.12 2.01 -0.63 -1.75 115.64 122.44 2djg s THR 49 Ca 0.01 0.78 -0.03 0.00 0.31 0.00 0.00 61.69 62.76 2djg s THR 49 Cb 0.02 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2djg s THR 49 CO -0.01 0.19 0.03 0.00 -0.69 0.00 0.00 174.62 174.14 2djg s ALA 50 N 1.68 3.39 0.18 7.40 0.00 -0.57 -0.47 121.76 133.38 2djg s ALA 50 Ca 0.20 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 2djg s ALA 50 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.38 2djg s ALA 50 CO 0.09 0.56 0.42 1.52 0.00 0.00 0.00 175.76 178.35 2djg s TYR 51 N -0.81 0.11 0.41 0.00 1.13 0.13 -0.04 117.35 118.28 2djg s TYR 51 Ca 0.13 -0.46 0.04 0.00 -1.41 0.00 0.00 57.07 55.36 2djg s TYR 51 Cb -0.12 0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 2djg s TYR 51 CO 0.02 -0.84 0.05 0.16 -2.51 0.00 0.00 175.55 172.44 2djg s ASP 52 N -2.92 3.26 -0.17 -0.18 1.47 -0.91 0.73 116.67 117.97 2djg s ASP 52 Ca 0.13 -1.51 0.01 0.00 1.18 0.00 0.00 52.55 52.36 2djg s ASP 52 Cb 0.01 0.11 0.22 0.00 -0.34 0.00 0.00 42.92 42.92 2djg s ASP 52 CO -0.01 -0.70 1.43 -0.90 0.68 0.00 0.00 175.17 175.67 2djg n ASP 53 N -1.03 3.71 -0.24 2.11 5.68 -1.26 -2.81 116.55 122.72 2djg n ASP 53 Ca -0.08 -2.61 0.00 0.00 -0.50 0.00 0.00 54.79 51.61 2djg n ASP 53 Cb 0.66 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2djg n ASP 53 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2djg n LEU 54 N 0.05 0.09 0.00 -2.12 4.77 -1.26 -5.05 117.00 113.47 2djg n LEU 54 Ca 0.21 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2djg n LEU 54 Cb 0.85 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2djg n LEU 54 CO 0.22 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2djg n GLY 55 N -0.04 0.94 3.89 -0.72 0.00 -1.12 -5.05 105.19 103.08 2djg n GLY 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2djg n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djg s ASN 56 N -3.02 6.45 0.01 1.61 0.01 -1.26 -4.96 114.94 113.79 2djg s ASN 56 Ca 0.00 0.92 0.06 0.00 -0.71 0.00 0.00 52.86 53.13 2djg s ASN 56 Cb 0.00 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 2djg s ASN 56 CO 0.00 -0.34 -0.18 -0.44 -1.51 0.00 0.00 177.10 174.63 2djg s SER 57 N -3.31 2.17 0.00 -1.22 0.01 -1.26 -2.14 113.70 107.96 2djg s SER 57 Ca 0.48 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2djg s SER 57 Cb -0.10 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2djg s SER 57 CO 0.33 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2djg n GLY 58 N 2.31 4.35 3.04 3.44 0.00 0.94 -4.69 105.19 114.57 2djg n GLY 58 Ca -0.16 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 2djg n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djg s HIS 59 N 0.25 0.43 0.04 1.61 3.76 -0.39 -1.51 115.29 119.49 2djg s HIS 59 Ca 0.00 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.11 2djg s HIS 59 Cb 0.00 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 2djg s HIS 59 CO 0.00 -0.25 0.07 -0.59 -0.85 0.00 0.00 174.74 173.12 2djg s PHE 60 N -2.53 0.27 0.03 1.40 -0.12 -0.72 -0.72 117.98 115.59 2djg s PHE 60 Ca -0.05 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 2djg s PHE 60 Cb -0.02 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 2djg s PHE 60 CO -0.05 -0.37 -0.06 -0.08 -0.05 0.00 0.00 175.22 174.61 2djg s THR 61 N -2.93 0.42 0.53 -4.49 -1.32 -0.40 -4.66 115.64 102.79 2djg s THR 61 Ca -0.02 -0.79 -0.18 0.00 -1.21 0.00 0.00 61.69 59.49 2djg s THR 61 Cb 0.01 -0.46 -0.07 0.00 -1.51 0.00 0.00 72.50 70.47 2djg s THR 61 CO -0.06 -0.26 1.02 -0.51 -2.21 0.00 0.00 174.62 172.60 2djg s ILE 62 N -1.01 4.12 -0.44 5.08 2.07 -1.26 -1.52 121.20 128.23 2djg s ILE 62 Ca -0.07 1.11 -0.04 0.00 -1.41 0.00 0.00 60.65 60.24 2djg s ILE 62 Cb -0.08 -3.54 0.12 0.00 0.13 0.00 0.00 42.46 39.10 2djg s ILE 62 CO 0.00 -0.49 0.25 -0.63 -1.91 0.00 0.00 174.94 172.16 2djg s ILE 63 N -2.38 3.45 0.00 2.00 1.01 0.35 -4.87 121.20 120.76 2djg s ILE 63 Ca 0.63 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 59.16 2djg s ILE 63 Cb -0.13 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2djg s ILE 63 CO 0.29 -0.72 0.00 0.00 0.00 0.00 0.00 174.94 174.50 2djg n TYR 64 N 4.52 0.00 -0.96 3.97 9.36 -1.26 -0.81 117.16 131.99 2djg n TYR 64 Ca -0.02 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.27 2djg n TYR 64 Cb 0.41 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.21 2djg n TYR 64 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2djg n ASN 65 N 6.63 1.94 -0.09 2.98 0.23 -1.26 -4.82 115.26 120.86 2djg n ASN 65 Ca 0.00 -2.68 -0.10 0.00 -0.53 0.00 0.00 54.58 51.27 2djg n ASN 65 Cb 0.00 -0.30 -0.12 0.00 -2.08 0.00 0.00 39.78 37.28 2djg n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2djg n GLN 66 N -1.04 1.04 -3.17 -3.83 1.13 0.01 -1.43 117.38 110.09 2djg n GLN 66 Ca 0.10 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2djg n GLN 66 Cb 0.56 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.49 2djg n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2djg n GLY 67 N 2.17 -0.75 3.28 1.08 0.00 -1.20 -1.46 105.19 108.31 2djg n GLY 67 Ca -0.30 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2djg n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2djg s PHE 68 N -3.00 -0.20 -0.08 1.61 -0.71 -0.96 -0.50 117.98 114.15 2djg s PHE 68 Ca 0.00 0.17 0.04 0.00 -1.04 0.00 0.00 56.93 56.11 2djg s PHE 68 Cb 0.00 0.15 -0.00 0.00 -1.21 0.00 0.00 43.02 41.96 2djg s PHE 68 CO 0.00 -0.50 -0.22 -2.00 -1.34 0.00 0.00 175.22 171.16 2djg s GLU 69 N -2.16 2.61 -0.10 1.99 2.12 -0.58 -3.19 118.70 119.39 2djg s GLU 69 Ca -0.07 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.50 2djg s GLU 69 Cb -0.02 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 2djg s GLU 69 CO -0.01 0.21 -0.20 0.42 -0.54 0.00 0.00 175.26 175.14 2djg s ILE 70 N 0.25 2.40 -0.20 -3.70 1.01 -0.47 -1.27 121.20 119.21 2djg s ILE 70 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2djg s ILE 70 Cb -0.16 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.38 2djg s ILE 70 CO 0.06 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.71 2djg s VAL 71 N 0.25 2.35 -0.28 2.92 1.01 0.10 -0.55 120.40 126.21 2djg s VAL 71 Ca -0.14 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 2djg s VAL 71 Cb -0.17 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.22 2djg s VAL 71 CO 0.07 0.41 0.73 -0.22 0.00 0.00 0.00 175.10 176.09 2djg s LEU 72 N 1.29 -0.82 -1.55 3.92 2.96 -0.06 -1.26 118.68 123.17 2djg s LEU 72 Ca 0.03 1.44 -0.15 0.00 -0.22 0.00 0.00 54.13 55.23 2djg s LEU 72 Cb -0.15 2.39 0.11 0.00 0.50 0.00 0.00 46.19 49.04 2djg s LEU 72 CO -0.10 -0.24 0.84 0.59 -1.32 0.00 0.00 176.35 176.12 2djg n ASN 73 N 3.42 -4.23 -0.97 3.68 3.02 -1.26 -1.53 115.26 117.39 2djg n ASN 73 Ca -0.17 -0.77 -0.12 0.00 -0.03 0.00 0.00 54.58 53.49 2djg n ASN 73 Cb 0.57 -3.42 -0.05 0.00 -0.61 0.00 0.00 39.78 36.27 2djg n ASN 73 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2djg n ASP 74 N -2.67 -4.47 -4.30 6.41 10.43 -1.26 -5.00 116.55 115.69 2djg n ASP 74 Ca 0.04 0.29 -0.25 0.00 2.57 0.00 0.00 54.79 57.45 2djg n ASP 74 Cb 0.52 -3.09 -0.13 0.00 1.84 0.00 0.00 41.12 40.26 2djg n ASP 74 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2djg s TYR 75 N -2.47 1.87 -0.10 1.24 2.02 -0.58 -1.26 117.35 118.08 2djg s TYR 75 Ca 0.00 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2djg s TYR 75 Cb 0.00 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2djg s TYR 75 CO 0.00 0.21 -0.20 0.15 -1.57 0.00 0.00 175.55 174.14 2djg s LYS 76 N -1.84 3.00 -0.10 -0.62 1.02 0.38 -0.88 119.74 120.69 2djg s LYS 76 Ca 0.08 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.26 2djg s LYS 76 Cb -0.10 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2djg s LYS 76 CO 0.04 0.27 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.04 2djg s TRP 77 N 0.15 2.81 -0.02 3.18 0.52 0.29 -1.24 118.94 124.63 2djg s TRP 77 Ca -0.11 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.59 2djg s TRP 77 Cb -0.16 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2djg s TRP 77 CO 0.06 -0.02 0.05 0.12 0.02 0.00 0.00 176.95 177.18 2djg s PHE 78 N -0.09 -0.06 -0.03 -1.98 2.19 -0.54 -1.37 117.98 116.11 2djg s PHE 78 Ca -0.01 0.14 -0.28 0.00 0.33 0.00 0.00 56.93 57.11 2djg s PHE 78 Cb -0.14 0.01 0.06 0.00 -1.31 0.00 0.00 43.02 41.65 2djg s PHE 78 CO 0.03 -0.03 0.61 0.00 1.83 0.00 0.00 175.22 177.66 2djg s ALA 79 N 0.07 -1.58 0.38 11.12 0.00 -1.19 -1.06 121.76 129.49 2djg s ALA 79 Ca -0.00 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 2djg s ALA 79 Cb -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 2djg s ALA 79 CO -0.00 -0.38 0.98 -0.06 0.00 0.00 0.00 175.76 176.29 2djg s PHE 80 N -1.43 3.46 0.66 0.00 0.40 -1.26 -2.26 117.98 117.56 2djg s PHE 80 Ca -0.10 1.70 -0.17 0.00 -0.60 0.00 0.00 56.93 57.75 2djg s PHE 80 Cb -0.01 -2.96 -0.00 0.00 0.51 0.00 0.00 43.02 40.56 2djg s PHE 80 CO 0.07 -0.12 1.26 -0.06 0.70 0.00 0.00 175.22 177.08 2djg s PHE 81 N -1.79 2.10 0.17 0.36 0.08 -0.54 -0.95 117.98 117.42 2djg s PHE 81 Ca 0.56 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.83 2djg s PHE 81 Cb -0.17 -3.62 -0.07 0.00 -0.57 0.00 0.00 43.02 38.59 2djg s PHE 81 CO 0.22 -2.77 0.97 0.21 -0.10 0.00 0.00 175.22 173.75 2djg s LYS 82 N -3.50 4.75 0.02 0.44 2.20 -0.55 -4.23 119.74 118.86 2djg s LYS 82 Ca 0.80 1.51 -0.05 0.00 -0.36 0.00 0.00 55.97 57.87 2djg s LYS 82 Cb -0.35 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2djg s LYS 82 CO 0.40 0.31 0.09 1.52 -0.36 0.00 0.00 175.35 177.32 2djg s TYR 83 N -0.51 0.14 0.00 4.03 1.13 -1.26 0.22 117.35 121.10 2djg s TYR 83 Ca 0.45 -0.34 0.00 0.00 -1.41 0.00 0.00 57.07 55.77 2djg s TYR 83 Cb -0.25 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2djg s TYR 83 CO 0.32 -0.29 0.00 1.63 -2.51 0.00 0.00 175.55 174.69 2djg n LYS 84 N 1.25 0.00 0.00 -3.49 5.02 0.27 -4.99 118.16 116.23 2djg n LYS 84 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 2djg n LYS 84 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2djg n LYS 84 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2djg n LYS 89 N -0.90 0.00 -3.56 1.97 4.81 -1.26 -2.47 118.16 116.76 2djg n LYS 89 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2djg n LYS 89 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2djg n LYS 89 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2djg s VAL 90 N 0.00 5.31 -0.10 3.15 1.01 -1.26 -5.08 120.40 123.42 2djg s VAL 90 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2djg s VAL 90 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 2djg s VAL 90 CO 0.00 0.35 -0.21 -0.89 0.00 0.00 0.00 175.10 174.34 2djg s THR 91 N 0.83 2.32 -0.01 3.92 2.01 -1.03 -5.12 115.64 118.56 2djg s THR 91 Ca 0.14 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2djg s THR 91 Cb -0.13 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2djg s THR 91 CO 0.04 0.55 0.04 -0.89 -0.69 0.00 0.00 174.62 173.68 2djg s THR 92 N 0.28 4.48 -0.35 -0.82 2.01 -1.26 -0.56 115.64 119.41 2djg s THR 92 Ca -0.15 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.38 2djg s THR 92 Cb -0.17 -3.02 0.11 0.00 0.01 0.00 0.00 72.50 69.43 2djg s THR 92 CO 0.08 0.37 0.13 -0.31 -0.69 0.00 0.00 174.62 174.20 2djg s TYR 93 N -1.13 2.08 -1.33 4.92 2.02 0.13 -4.97 117.35 119.07 2djg s TYR 93 Ca 0.21 -2.12 0.20 0.00 -0.37 0.00 0.00 57.07 54.99 2djg s TYR 93 Cb -0.12 -1.94 0.98 0.00 -0.40 0.00 0.00 41.96 40.49 2djg s TYR 93 CO 0.12 -0.86 1.64 0.00 -1.57 0.00 0.00 175.55 174.88 2djg n ASN 95 N -1.34 4.15 -4.04 0.00 6.94 -1.26 -4.76 115.26 114.95 2djg n ASN 95 Ca 0.08 -2.20 -0.10 0.00 -0.02 0.00 0.00 54.58 52.35 2djg n ASN 95 Cb 0.18 -0.52 -0.08 0.00 -2.36 0.00 0.00 39.78 37.00 2djg n ASN 95 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2djg s GLU 96 N -1.42 1.14 0.29 -3.83 2.02 -0.87 -0.71 118.70 115.31 2djg s GLU 96 Ca 0.48 -1.30 0.11 0.00 0.02 0.00 0.00 54.97 54.27 2djg s GLU 96 Cb 0.28 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.80 2djg s GLU 96 CO 0.28 -0.40 -0.11 0.95 0.02 0.00 0.00 175.26 176.01 2djg s THR 97 N -4.02 2.74 1.14 3.63 -4.23 -0.72 -1.48 115.64 112.71 2djg s THR 97 Ca 0.22 -2.20 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 2djg s THR 97 Cb 0.04 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.61 2djg s THR 97 CO 0.03 -0.35 1.04 -0.04 -0.54 0.00 0.00 174.62 174.76 2djg s MET 98 N -3.59 -0.74 0.14 3.99 1.00 -0.12 -4.53 119.30 115.44 2djg s MET 98 Ca 0.31 0.67 -0.31 0.00 0.00 0.00 0.00 55.69 56.36 2djg s MET 98 Cb -0.04 -1.59 -0.10 0.00 0.00 0.00 0.00 34.83 33.10 2djg s MET 98 CO 0.17 -3.56 1.76 0.99 0.00 0.00 0.00 175.02 174.38 2djg s THR 99 N -2.61 2.49 0.40 2.05 2.01 -1.26 -4.61 115.64 114.11 2djg s THR 99 Ca 0.68 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.83 2djg s THR 99 Cb -0.23 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2djg s THR 99 CO 0.63 0.00 0.14 0.61 -0.69 0.00 0.00 174.62 175.31 2djg n GLY 100 N 4.10 3.31 3.25 4.40 0.00 0.71 -4.79 105.19 116.17 2djg n GLY 100 Ca 0.17 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 2djg n GLY 100 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2djg s TRP 101 N -2.24 2.60 -0.05 1.61 0.51 -0.22 -1.52 118.94 119.62 2djg s TRP 101 Ca 0.11 -0.96 0.04 0.00 -2.12 0.00 0.00 56.10 53.16 2djg s TRP 101 Cb -0.01 -1.73 -0.00 0.00 -0.81 0.00 0.00 33.47 30.93 2djg s TRP 101 CO 0.07 -0.37 -0.17 0.54 -0.51 0.00 0.00 176.95 176.51 2djg s VAL 102 N 0.31 1.43 0.12 4.03 0.11 -0.18 -1.46 120.40 124.75 2djg s VAL 102 Ca -0.17 -0.70 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 2djg s VAL 102 Cb -0.17 -1.24 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2djg s VAL 102 CO 0.08 0.41 0.39 -1.38 -3.33 0.00 0.00 175.10 171.28 2djg s HIS 103 N 0.17 -0.20 0.93 1.54 -3.43 -0.37 -0.89 115.29 113.05 2djg s HIS 103 Ca -0.07 -0.10 -0.11 0.00 -0.80 0.00 0.00 55.06 53.98 2djg s HIS 103 Cb -0.13 0.24 0.15 0.00 -1.43 0.00 0.00 32.58 31.42 2djg s HIS 103 CO 0.03 -0.68 1.09 0.16 -2.00 0.00 0.00 174.74 173.34 2djg s ASP 104 N -2.73 3.05 0.62 7.38 1.47 -0.93 -0.47 116.67 125.06 2djg s ASP 104 Ca 0.02 1.62 0.38 0.00 1.18 0.00 0.00 52.55 55.75 2djg s ASP 104 Cb 0.02 -2.27 2.03 0.00 -0.34 0.00 0.00 42.92 42.36 2djg s ASP 104 CO -0.11 -2.92 2.26 -0.37 0.68 0.00 0.00 175.17 174.70 2djg h VAL 105 N -1.74 0.18 0.00 2.11 -1.51 -1.51 -0.43 116.25 113.35 2djg h VAL 105 Ca -0.50 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2djg h VAL 105 Cb 1.29 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2djg h VAL 105 CO 0.52 0.02 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.60 2djg h LEU 106 N 0.00 0.00 0.00 4.19 3.38 -1.90 -3.48 115.31 117.51 2djg h LEU 106 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2djg h LEU 106 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2djg h LEU 106 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2djg n GLY 107 N 1.24 0.58 0.08 0.83 0.00 -0.17 -5.02 105.19 102.73 2djg n GLY 107 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 2djg n GLY 107 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2djg h ARG 108 N 0.99 -0.11 -5.18 1.61 2.47 -1.93 -3.43 114.38 108.80 2djg h ARG 108 Ca 0.00 0.01 -0.62 0.00 -1.26 0.00 0.00 59.98 58.11 2djg h ARG 108 Cb 0.00 0.03 -0.15 0.00 -1.65 0.00 0.00 29.97 28.20 2djg h ARG 108 CO 0.00 -0.08 -0.53 -0.80 0.56 0.00 0.00 179.97 179.13 2djg s ASN 109 N -4.61 5.93 0.31 7.04 0.01 -1.26 -4.54 114.94 117.82 2djg s ASN 109 Ca -0.02 0.11 0.10 0.00 -0.71 0.00 0.00 52.86 52.34 2djg s ASN 109 Cb 0.00 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 2djg s ASN 109 CO 0.05 0.12 -0.07 0.26 -1.51 0.00 0.00 177.10 175.96 2djg s TRP 110 N 0.71 2.48 0.17 2.20 0.52 0.41 -2.19 118.94 123.22 2djg s TRP 110 Ca 0.06 -0.38 -0.24 0.00 0.02 0.00 0.00 56.10 55.56 2djg s TRP 110 Cb -0.13 -1.28 0.06 0.00 -1.15 0.00 0.00 33.47 30.97 2djg s TRP 110 CO 0.01 0.59 0.87 0.00 0.02 0.00 0.00 176.95 178.44 2djg s ALA 111 N -2.49 -1.56 0.14 0.98 0.00 -0.06 -1.63 121.76 117.13 2djg s ALA 111 Ca 0.32 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2djg s ALA 111 Cb -0.02 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2djg s ALA 111 CO 0.18 -0.98 0.03 0.00 0.00 0.00 0.00 175.76 174.99 2djg s PHE 113 N -1.59 0.04 0.05 0.00 -0.71 -0.58 -0.71 117.98 114.48 2djg s PHE 113 Ca 0.28 -0.40 0.06 0.00 -1.04 0.00 0.00 56.93 55.82 2djg s PHE 113 Cb -0.10 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 2djg s PHE 113 CO 0.19 -0.67 -0.16 0.95 -1.34 0.00 0.00 175.22 174.19 2djg s THR 114 N -3.86 1.30 0.07 -4.49 -4.23 -0.53 -0.21 115.64 103.69 2djg s THR 114 Ca 0.07 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 59.54 2djg s THR 114 Cb 0.03 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 2djg s THR 114 CO -0.09 0.03 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.03 2djg s GLY 115 N -1.26 1.63 -0.03 3.99 0.00 -1.26 -1.48 107.32 108.91 2djg s GLY 115 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2djg s GLY 115 CO 0.02 -1.16 -0.01 0.54 0.00 0.00 0.00 173.10 172.49 2djg s LYS 116 N -1.69 0.40 -0.20 2.90 1.02 -0.70 -1.76 119.74 119.71 2djg s LYS 116 Ca 0.16 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 2djg s LYS 116 Cb -0.11 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2djg s LYS 116 CO 0.07 -0.14 1.02 0.21 -0.92 0.00 0.00 175.35 175.59 2djg s LYS 117 N 1.08 4.29 0.00 1.68 2.20 0.11 -1.31 119.74 127.79 2djg s LYS 117 Ca -0.09 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 2djg s LYS 117 Cb -0.14 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2djg s LYS 117 CO -0.02 -0.55 0.00 0.28 -0.36 0.00 0.00 175.35 174.71