#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlq s SER 2 N 0.00 2.46 0.12 1.61 0.01 -1.26 -5.14 113.70 111.50 2dlq s SER 2 Ca 0.00 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 56.68 2dlq s SER 2 Cb 0.00 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2dlq s SER 2 CO 0.00 -0.32 0.03 -0.44 0.41 0.00 0.00 173.24 172.92 2dlq s SER 3 N 2.03 5.12 0.89 2.44 0.01 -1.26 -5.02 113.70 117.92 2dlq s SER 3 Ca 0.01 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dlq s SER 3 Cb -0.16 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2dlq s SER 3 CO -0.08 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2dlq n GLY 4 N 0.25 0.96 3.87 3.44 0.00 -1.26 -4.88 105.19 107.57 2dlq n GLY 4 Ca -0.10 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 2dlq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dlq n SER 5 N -3.11 -4.58 -4.18 1.61 7.64 -1.26 -4.97 113.62 104.78 2dlq n SER 5 Ca 0.00 -0.76 -0.11 0.00 1.01 0.00 0.00 58.87 59.01 2dlq n SER 5 Cb 0.00 -4.00 -0.10 0.00 -1.01 0.00 0.00 64.21 59.10 2dlq n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlq s SER 6 N -3.42 0.37 0.07 6.43 0.15 -1.26 -5.17 113.70 110.87 2dlq s SER 6 Ca 0.59 -1.26 -0.05 0.00 0.70 0.00 0.00 55.95 55.93 2dlq s SER 6 Cb -0.29 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2dlq s SER 6 CO 0.82 -0.74 0.24 0.61 1.20 0.00 0.00 173.24 175.37 2dlq n GLY 7 N -0.16 1.40 3.97 9.45 0.00 -1.26 -4.98 105.19 113.61 2dlq n GLY 7 Ca -0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 2dlq n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dlq s VAL 8 N -2.59 2.91 -0.02 1.61 -7.23 -1.24 -4.95 120.40 108.90 2dlq s VAL 8 Ca 0.05 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2dlq s VAL 8 Cb -0.01 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.87 2dlq s VAL 8 CO 0.02 -0.06 0.02 -0.70 -0.31 0.00 0.00 175.10 174.08 2dlq s GLU 9 N -4.71 -0.00 -0.34 4.82 2.12 -1.26 -2.40 118.70 116.92 2dlq s GLU 9 Ca 0.56 0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.74 2dlq s GLU 9 Cb -0.10 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.08 2dlq s GLU 9 CO 0.38 -0.13 1.16 0.00 -0.54 0.00 0.00 175.26 176.13 2dlq n PRO 11 N 7.18 0.49 -0.11 0.00 -0.04 -1.26 0.12 135.00 141.37 2dlq n PRO 11 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 2dlq n PRO 11 Cb 0.47 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 2dlq n PRO 11 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dlq n THR 12 N -0.75 1.50 -0.85 0.52 -1.04 -1.26 -4.72 114.28 107.68 2dlq n THR 12 Ca 0.06 -0.15 0.06 0.00 -2.04 0.00 0.00 64.05 61.98 2dlq n THR 12 Cb 0.03 -2.08 0.09 0.00 -1.82 0.00 0.00 70.33 66.55 2dlq n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dlq n HIS 14 N -1.06 -0.93 -2.80 0.00 -0.00 0.31 -4.88 115.22 105.85 2dlq n HIS 14 Ca 0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 2dlq n HIS 14 Cb 0.54 -2.81 -0.04 0.00 -0.00 0.00 0.00 29.99 27.68 2dlq n HIS 14 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2dlq s LYS 15 N -4.25 3.40 0.64 -0.41 2.20 -1.22 -4.61 119.74 115.49 2dlq s LYS 15 Ca 0.00 -0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 2dlq s LYS 15 Cb 0.00 -4.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2dlq s LYS 15 CO 0.00 -1.45 1.04 0.15 -0.36 0.00 0.00 175.35 174.73 2dlq s LYS 16 N 4.03 3.46 0.28 4.03 1.02 -1.26 -1.89 119.74 129.40 2dlq s LYS 16 Ca 0.34 0.72 0.07 0.00 0.02 0.00 0.00 55.97 57.12 2dlq s LYS 16 Cb -0.11 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 2dlq s LYS 16 CO 0.22 -0.67 0.24 1.19 -0.92 0.00 0.00 175.35 175.41 2dlq n PHE 17 N -2.81 -0.67 0.07 3.18 3.01 -1.01 -4.94 117.46 114.30 2dlq n PHE 17 Ca 0.06 -2.36 -0.23 0.00 1.01 0.00 0.00 57.45 55.93 2dlq n PHE 17 Cb 0.54 0.24 -0.15 0.00 -0.01 0.00 0.00 39.48 40.11 2dlq n PHE 17 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2dlq h LEU 18 N 0.00 0.62 -8.97 4.37 -0.00 -1.93 -3.28 115.31 106.11 2dlq h LEU 18 Ca -0.20 -0.93 -0.41 0.00 -0.00 0.00 0.00 57.88 56.34 2dlq h LEU 18 Cb 1.01 -0.20 -0.14 0.00 -0.00 0.00 0.00 40.66 41.33 2dlq h LEU 18 CO 0.29 1.78 -0.56 -0.55 -0.00 0.00 0.00 178.44 179.40 2dlq s SER 19 N -7.29 1.52 -0.03 0.17 0.15 -1.26 -4.69 113.70 102.26 2dlq s SER 19 Ca -0.16 -1.55 -0.25 0.00 0.70 0.00 0.00 55.95 54.69 2dlq s SER 19 Cb 0.05 0.38 -0.21 0.00 -1.71 0.00 0.00 66.02 64.54 2dlq s SER 19 CO 0.85 -0.88 1.16 0.11 1.20 0.00 0.00 173.24 175.69 2dlq h LYS 20 N 2.22 0.10 -0.97 5.44 6.56 -1.99 -3.16 116.57 124.77 2dlq h LYS 20 Ca -0.34 -0.07 0.33 0.00 -1.06 0.00 0.00 60.65 59.51 2dlq h LYS 20 Cb 1.25 0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.74 2dlq h LYS 20 CO 0.52 0.70 0.25 0.98 -2.06 0.00 0.00 179.45 179.84 2dlq n TYR 21 N -4.69 0.86 -0.12 -1.35 9.36 -1.26 0.16 117.16 120.12 2dlq n TYR 21 Ca -0.09 1.16 -0.12 0.00 3.32 0.00 0.00 57.90 62.18 2dlq n TYR 21 Cb 0.36 -1.38 -0.00 0.00 -0.63 0.00 0.00 39.34 37.69 2dlq n TYR 21 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dlq h TYR 22 N 0.00 1.10 0.37 2.98 0.05 -1.99 -2.20 116.97 117.28 2dlq h TYR 22 Ca 0.70 -0.31 -0.02 0.00 0.05 0.00 0.00 58.73 59.15 2dlq h TYR 22 Cb 1.66 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 39.17 2dlq h TYR 22 CO -0.27 1.13 -0.18 1.25 -1.05 0.00 0.00 178.16 179.03 2dlq h LEU 23 N 0.78 -0.42 -0.71 3.88 5.85 0.17 0.19 115.31 125.04 2dlq h LEU 23 Ca 0.08 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2dlq h LEU 23 Cb 0.91 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2dlq h LEU 23 CO 0.08 -0.20 0.40 0.07 -0.34 0.00 0.00 178.44 178.45 2dlq h LYS 24 N -0.62 0.69 -0.57 1.25 2.10 -0.95 0.24 116.57 118.71 2dlq h LYS 24 Ca -0.05 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 2dlq h LYS 24 Cb 0.46 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 2dlq h LYS 24 CO 0.08 0.46 -0.06 0.28 -2.00 0.00 0.00 179.45 178.21 2dlq h VAL 25 N 0.71 1.27 -0.01 0.07 2.07 -1.28 -3.16 116.25 115.92 2dlq h VAL 25 Ca 0.32 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2dlq h VAL 25 Cb 0.23 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2dlq h VAL 25 CO -0.20 0.44 -0.00 -0.74 0.02 0.00 0.00 177.57 177.08 2dlq h HIS 26 N 0.94 0.03 -0.96 1.57 -0.00 0.18 -3.10 115.15 113.80 2dlq h HIS 26 Ca 0.16 -0.01 0.31 0.00 -0.00 0.00 0.00 60.37 60.83 2dlq h HIS 26 Cb 0.62 -0.01 -0.16 0.00 -0.00 0.00 0.00 27.41 27.86 2dlq h HIS 26 CO 0.04 0.38 0.37 -0.97 -0.00 0.00 0.00 177.93 177.75 2dlq h ASN 27 N -0.32 0.14 -0.85 3.26 -1.24 -0.54 0.33 115.58 116.36 2dlq h ASN 27 Ca 0.00 0.23 0.22 0.00 0.71 0.00 0.00 56.30 57.46 2dlq h ASN 27 Cb 0.37 0.27 -0.15 0.00 0.73 0.00 0.00 38.32 39.54 2dlq h ASN 27 CO 0.00 -0.26 0.09 0.03 -1.29 0.00 0.00 177.43 176.00 2dlq h ARG 28 N 0.15 0.11 -0.84 6.67 3.08 -1.51 0.25 114.38 122.30 2dlq h ARG 28 Ca 0.69 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.94 2dlq h ARG 28 Cb 1.58 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.47 2dlq h ARG 28 CO -0.72 0.08 0.13 0.87 -1.07 0.00 0.00 179.97 179.26 2dlq h LYS 29 N 0.12 0.15 0.52 0.04 1.79 -0.49 -1.84 116.57 116.87 2dlq h LYS 29 Ca 0.50 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 2dlq h LYS 29 Cb 0.97 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 2dlq h LYS 29 CO -0.72 0.10 -0.37 0.45 -1.08 0.00 0.00 179.45 177.83 2dlq h HIS 30 N 0.16 -1.00 -3.61 -1.35 3.86 -0.62 -3.35 115.15 109.25 2dlq h HIS 30 Ca 0.50 -0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.05 2dlq h HIS 30 Cb 0.96 0.37 -0.16 0.00 1.06 0.00 0.00 27.41 29.64 2dlq h HIS 30 CO -0.34 -0.53 -0.11 -0.08 0.86 0.00 0.00 177.93 177.73 2dlq s THR 31 N -5.13 5.05 0.00 2.45 -1.32 -0.69 -4.44 115.64 111.56 2dlq s THR 31 Ca -0.14 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2dlq s THR 31 Cb 0.02 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 2dlq s THR 31 CO 0.44 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2dlq n GLY 32 N 4.86 2.63 3.28 6.08 0.00 -1.25 -4.70 105.19 116.09 2dlq n GLY 32 Ca -0.06 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2dlq n GLY 32 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dlq n GLU 33 N 0.00 -0.40 -3.82 1.61 2.13 -1.26 -5.03 120.64 113.87 2dlq n GLU 33 Ca 0.00 -0.09 -0.12 0.00 0.66 0.00 0.00 57.16 57.61 2dlq n GLU 33 Cb 0.00 -1.60 -0.11 0.00 0.27 0.00 0.00 31.44 30.00 2dlq n GLU 33 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dlq s LYS 34 N -3.17 0.32 0.00 5.31 1.02 -1.26 -5.02 119.74 116.95 2dlq s LYS 34 Ca 0.52 0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.65 2dlq s LYS 34 Cb -0.18 0.15 0.50 0.00 -0.52 0.00 0.00 37.83 37.78 2dlq s LYS 34 CO 0.71 -0.06 0.95 -0.35 -0.92 0.00 0.00 175.35 175.68 2dlq n PRO 35 N 2.45 0.49 -3.79 -1.68 -0.04 -1.26 -4.60 135.00 126.57 2dlq n PRO 35 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2dlq n PRO 35 Cb 0.58 -1.27 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 2dlq n PRO 35 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dlq s PHE 36 N -2.00 -0.06 -0.28 0.54 0.08 -1.26 -5.09 117.98 109.92 2dlq s PHE 36 Ca 0.13 0.24 -0.20 0.00 0.12 0.00 0.00 56.93 57.22 2dlq s PHE 36 Cb 0.06 -0.11 0.08 0.00 -0.57 0.00 0.00 43.02 42.48 2dlq s PHE 36 CO 0.10 -0.09 0.74 -2.00 -0.10 0.00 0.00 175.22 173.86 2dlq s GLU 37 N 0.78 0.74 -0.25 0.44 2.12 -1.26 -1.18 118.70 120.09 2dlq s GLU 37 Ca -0.06 1.07 -0.33 0.00 0.36 0.00 0.00 54.97 56.00 2dlq s GLU 37 Cb -0.09 0.26 -0.10 0.00 0.26 0.00 0.00 34.13 34.46 2dlq s GLU 37 CO -0.03 -0.12 2.10 0.00 -0.54 0.00 0.00 175.26 176.67 2dlq n PRO 39 N 7.81 0.34 -0.04 0.00 -0.04 -1.26 0.87 135.00 142.67 2dlq n PRO 39 Ca 0.33 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.66 2dlq n PRO 39 Cb 0.29 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 2dlq n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dlq n LYS 40 N -1.15 0.71 -0.00 0.54 4.76 -1.26 -4.80 118.16 116.96 2dlq n LYS 40 Ca 0.09 0.28 -0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2dlq n LYS 40 Cb 0.09 -1.67 -0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2dlq n LYS 40 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dlq n GLY 42 N 3.09 1.90 3.55 0.00 0.00 0.25 -5.02 105.19 108.96 2dlq n GLY 42 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2dlq n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dlq s LYS 43 N 0.00 3.42 0.59 1.61 2.47 -1.25 -4.66 119.74 121.93 2dlq s LYS 43 Ca 0.00 -0.00 -0.18 0.00 -1.56 0.00 0.00 55.97 54.23 2dlq s LYS 43 Cb 0.00 -4.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.30 2dlq s LYS 43 CO 0.00 -1.59 1.13 0.00 0.16 0.00 0.00 175.35 175.05 2dlq s TYR 45 N -1.94 -0.77 0.13 0.00 2.02 -0.33 -4.93 117.35 111.54 2dlq s TYR 45 Ca 0.71 1.58 -0.25 0.00 -0.37 0.00 0.00 57.07 58.74 2dlq s TYR 45 Cb -0.24 0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.68 2dlq s TYR 45 CO 0.33 -0.41 1.63 0.35 -1.57 0.00 0.00 175.55 175.88 2dlq h PHE 46 N 7.10 -0.72 -2.82 2.71 3.57 -1.97 -3.38 116.94 121.44 2dlq h PHE 46 Ca -0.34 0.03 -0.64 0.00 3.53 0.00 0.00 57.97 60.54 2dlq h PHE 46 Cb 1.20 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 2dlq h PHE 46 CO 0.18 -0.35 -0.50 1.03 -2.23 0.00 0.00 178.31 176.44 2dlq s ARG 47 N -6.05 3.42 0.13 1.11 3.00 -1.26 -4.84 118.95 114.46 2dlq s ARG 47 Ca -0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 55.73 55.12 2dlq s ARG 47 Cb 0.10 -3.09 -0.01 0.00 0.00 0.00 0.00 34.95 31.95 2dlq s ARG 47 CO 0.66 0.68 1.55 -0.22 0.00 0.00 0.00 175.30 177.97 2dlq h LYS 48 N 3.88 0.81 -0.27 3.54 1.63 -1.99 -3.19 116.57 120.97 2dlq h LYS 48 Ca -0.49 -0.29 0.03 0.00 -0.85 0.00 0.00 60.65 59.04 2dlq h LYS 48 Cb 1.19 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 2dlq h LYS 48 CO 0.68 0.91 -0.22 0.93 -3.45 0.00 0.00 179.45 178.30 2dlq h GLU 49 N 0.63 -0.08 -0.71 1.90 5.08 -1.97 0.31 114.58 119.76 2dlq h GLU 49 Ca 0.11 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.63 2dlq h GLU 49 Cb 0.59 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.73 2dlq h GLU 49 CO 0.04 -0.05 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.04 2dlq h ASN 50 N -0.08 -0.42 -0.21 1.42 2.35 -1.99 -0.12 115.58 116.53 2dlq h ASN 50 Ca 0.05 0.19 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 2dlq h ASN 50 Cb 0.20 0.36 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 2dlq h ASN 50 CO -0.30 -0.18 -0.05 0.25 -1.65 0.00 0.00 177.43 175.49 2dlq h LEU 51 N 0.07 -0.20 -0.66 1.61 5.85 -1.04 -2.06 115.31 118.88 2dlq h LEU 51 Ca 0.37 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.28 2dlq h LEU 51 Cb 0.62 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 2dlq h LEU 51 CO -0.65 -0.07 0.19 -0.07 -0.34 0.00 0.00 178.44 177.49 2dlq h LEU 52 N -0.00 0.09 0.38 2.25 3.38 0.14 -2.51 115.31 119.03 2dlq h LEU 52 Ca 0.10 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2dlq h LEU 52 Cb 0.15 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dlq h LEU 52 CO -0.22 0.03 -0.23 -0.33 0.09 0.00 0.00 178.44 177.79 2dlq h GLU 53 N 0.32 -0.55 -0.77 1.13 5.08 -0.73 -3.13 114.58 115.93 2dlq h GLU 53 Ca 0.36 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.84 2dlq h GLU 53 Cb 0.54 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 2dlq h GLU 53 CO -0.41 -0.36 -0.39 1.58 -1.00 0.00 0.00 179.01 178.42 2dlq n HIS 54 N -3.71 -0.18 -0.24 4.33 -0.00 -0.84 0.10 115.22 114.68 2dlq n HIS 54 Ca -0.07 0.96 0.15 0.00 -0.00 0.00 0.00 57.72 58.76 2dlq n HIS 54 Cb 0.23 -0.66 0.29 0.00 -0.00 0.00 0.00 29.99 29.85 2dlq n HIS 54 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2dlq n GLU 55 N -5.04 -0.05 -0.01 1.57 -0.58 -0.97 0.37 120.64 115.93 2dlq n GLU 55 Ca 0.04 1.05 -0.22 0.00 -0.42 0.00 0.00 57.16 57.61 2dlq n GLU 55 Cb 0.25 -1.74 -0.14 0.00 -0.57 0.00 0.00 31.44 29.24 2dlq n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dlq n ALA 56 N -3.00 0.86 0.23 0.62 0.00 0.29 -4.44 120.51 115.07 2dlq n ALA 56 Ca 0.21 -0.57 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2dlq n ALA 56 Cb 0.69 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 2dlq n ALA 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2dlq h ARG 57 N -0.07 -0.84 -2.31 0.00 9.65 0.32 -3.46 114.38 117.68 2dlq h ARG 57 Ca -0.41 0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.47 2dlq h ARG 57 Cb 1.94 0.19 -0.17 0.00 -1.39 0.00 0.00 29.97 30.54 2dlq h ARG 57 CO 0.05 -0.56 0.16 1.21 2.80 0.00 0.00 179.97 183.63 2dlq s ASN 58 N -4.20 -0.60 -0.30 -3.80 2.47 0.12 -5.04 114.94 103.60 2dlq s ASN 58 Ca -0.16 0.50 -0.14 0.00 0.42 0.00 0.00 52.86 53.48 2dlq s ASN 58 Cb 0.04 0.53 0.15 0.00 -1.45 0.00 0.00 41.25 40.53 2dlq s ASN 58 CO 0.54 -0.68 0.90 0.00 -3.72 0.00 0.00 177.10 174.14 2dlq n MET 60 N 4.95 0.00 -4.02 0.00 0.00 -1.26 -4.93 117.12 111.86 2dlq n MET 60 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.24 2dlq n MET 60 Cb 0.52 -0.97 -0.11 0.00 0.00 0.00 0.00 33.22 32.66 2dlq n MET 60 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2dlq s ASN 61 N -0.97 5.32 1.07 3.17 -0.87 -1.26 -4.93 114.94 116.46 2dlq s ASN 61 Ca 0.39 -0.05 -0.14 0.00 -1.57 0.00 0.00 52.86 51.49 2dlq s ASN 61 Cb -0.18 -1.92 0.22 0.00 -0.02 0.00 0.00 41.25 39.36 2dlq s ASN 61 CO 0.81 0.11 1.10 -0.60 -2.57 0.00 0.00 177.10 175.94 2dlq s ARG 62 N 0.74 -0.15 -1.61 -0.60 6.06 -1.26 -3.83 118.95 118.30 2dlq s ARG 62 Ca 0.02 0.32 -0.15 0.00 -2.50 0.00 0.00 55.73 53.42 2dlq s ARG 62 Cb -0.14 -1.69 0.12 0.00 0.06 0.00 0.00 34.95 33.30 2dlq s ARG 62 CO 0.02 -3.08 0.85 -1.13 -2.50 0.00 0.00 175.30 169.46 2dlq n SER 63 N -4.38 -3.70 -2.70 -2.12 3.41 -1.26 -4.95 113.62 97.92 2dlq n SER 63 Ca 0.07 -0.91 -0.08 0.00 -0.26 0.00 0.00 58.87 57.69 2dlq n SER 63 Cb 0.58 -3.26 0.05 0.00 -0.26 0.00 0.00 64.21 61.32 2dlq n SER 63 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2dlq n GLU 64 N -4.51 0.03 -1.60 4.33 0.28 -1.25 -4.93 120.64 113.00 2dlq n GLU 64 Ca 0.03 -0.75 -0.59 0.00 -0.16 0.00 0.00 57.16 55.70 2dlq n GLU 64 Cb 0.52 -0.30 -0.08 0.00 1.43 0.00 0.00 31.44 33.00 2dlq n GLU 64 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2dlq n GLN 65 N -1.71 0.76 -4.43 3.44 7.27 -1.26 -4.94 117.38 116.51 2dlq n GLN 65 Ca 0.05 0.26 -0.25 0.00 0.07 0.00 0.00 57.00 57.13 2dlq n GLN 65 Cb 0.18 -1.97 -0.09 0.00 2.41 0.00 0.00 30.24 30.77 2dlq n GLN 65 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2dlq s VAL 66 N 4.52 2.50 0.19 1.69 -7.23 -1.26 -4.62 120.40 116.19 2dlq s VAL 66 Ca 1.05 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2dlq s VAL 66 Cb -1.18 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 2dlq s VAL 66 CO 0.66 -0.23 0.02 -0.36 -0.31 0.00 0.00 175.10 174.88 2dlq s PHE 67 N -2.54 2.86 -0.12 2.82 0.40 0.15 -4.88 117.98 116.67 2dlq s PHE 67 Ca 0.33 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 2dlq s PHE 67 Cb 0.00 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.17 2dlq s PHE 67 CO 0.18 0.53 -0.21 0.99 0.70 0.00 0.00 175.22 177.41 2dlq s THR 68 N -1.81 1.91 1.21 0.64 2.01 -1.26 -1.16 115.64 117.18 2dlq s THR 68 Ca 0.28 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 2dlq s THR 68 Cb -0.09 -1.68 0.28 0.00 0.01 0.00 0.00 72.50 71.02 2dlq s THR 68 CO 0.19 0.52 0.83 0.00 -0.69 0.00 0.00 174.62 175.48 2dlq n SER 70 N -4.55 2.01 0.00 0.00 2.88 -1.26 -3.76 113.62 108.94 2dlq n SER 70 Ca 0.03 -1.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 2dlq n SER 70 Cb 0.56 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2dlq n SER 70 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2dlq n VAL 71 N 0.42 0.00 0.34 2.46 0.31 -1.26 -4.83 118.33 115.77 2dlq n VAL 71 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.43 2dlq n VAL 71 Cb 0.26 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2dlq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dlq n GLN 73 N -0.24 -5.92 -0.20 0.00 1.13 -1.25 -4.92 117.38 105.99 2dlq n GLN 73 Ca 0.03 0.87 -0.25 0.00 -1.94 0.00 0.00 57.00 55.71 2dlq n GLN 73 Cb 0.16 -5.75 0.24 0.00 0.11 0.00 0.00 30.24 25.01 2dlq n GLN 73 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2dlq n GLU 74 N -4.31 -4.27 -4.17 -1.09 4.07 -1.26 -4.35 120.64 105.25 2dlq n GLU 74 Ca -0.07 -1.20 -0.27 0.00 -0.06 0.00 0.00 57.16 55.56 2dlq n GLU 74 Cb 0.60 -1.60 -0.17 0.00 -0.06 0.00 0.00 31.44 30.21 2dlq n GLU 74 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2dlq s THR 75 N -1.93 1.18 0.23 6.31 -4.23 -1.26 -2.67 115.64 113.27 2dlq s THR 75 Ca 0.55 -0.42 0.08 0.00 -1.18 0.00 0.00 61.69 60.72 2dlq s THR 75 Cb -0.10 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 2dlq s THR 75 CO 0.46 0.38 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.45 2dlq s PHE 76 N 1.31 1.81 -0.15 3.99 0.40 -0.31 -4.91 117.98 120.12 2dlq s PHE 76 Ca -0.02 -0.60 0.12 0.00 -0.60 0.00 0.00 56.93 55.84 2dlq s PHE 76 Cb -0.14 -0.90 -0.24 0.00 0.51 0.00 0.00 43.02 42.26 2dlq s PHE 76 CO -0.05 0.35 0.26 2.89 0.70 0.00 0.00 175.22 179.38 2dlq n ARG 77 N -0.45 0.67 -4.39 0.44 0.00 -1.26 0.31 116.66 111.97 2dlq n ARG 77 Ca -0.07 0.13 -0.22 0.00 -0.00 0.00 0.00 57.85 57.70 2dlq n ARG 77 Cb 0.61 -1.63 -0.10 0.00 -0.00 0.00 0.00 32.46 31.34 2dlq n ARG 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2dlq s ARG 78 N -2.54 1.46 0.01 2.89 0.52 -1.26 -4.55 118.95 115.48 2dlq s ARG 78 Ca -0.12 -1.61 -0.21 0.00 -0.52 0.00 0.00 55.73 53.27 2dlq s ARG 78 Cb 0.07 -1.44 -0.12 0.00 0.52 0.00 0.00 34.95 33.98 2dlq s ARG 78 CO 0.80 0.27 1.03 -0.09 0.02 0.00 0.00 175.30 177.32 2dlq h ARG 79 N 2.63 -0.73 -0.94 3.54 2.43 -1.95 -3.20 114.38 116.17 2dlq h ARG 79 Ca -0.40 0.05 0.24 0.00 -0.81 0.00 0.00 59.98 59.06 2dlq h ARG 79 Cb 1.23 0.17 -0.18 0.00 -0.42 0.00 0.00 29.97 30.77 2dlq h ARG 79 CO 0.58 -0.49 -0.05 -0.12 -1.51 0.00 0.00 179.97 178.39 2dlq n MET 80 N -4.65 -0.08 -0.22 0.20 1.56 -1.26 0.54 117.12 113.21 2dlq n MET 80 Ca -0.09 1.43 -0.01 0.00 -0.27 0.00 0.00 57.70 58.76 2dlq n MET 80 Cb 0.30 -2.23 0.06 0.00 2.15 0.00 0.00 33.22 33.49 2dlq n MET 80 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2dlq h GLU 81 N 0.00 -0.03 -0.88 2.12 4.39 -1.98 0.32 114.58 118.52 2dlq h GLU 81 Ca 0.54 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.34 2dlq h GLU 81 Cb 1.05 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.64 2dlq h GLU 81 CO -0.91 -0.02 0.57 1.25 -1.16 0.00 0.00 179.01 178.74 2dlq h LEU 82 N -0.03 0.77 -0.59 1.33 5.85 0.06 -1.26 115.31 121.44 2dlq h LEU 82 Ca 0.30 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2dlq h LEU 82 Cb 0.50 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2dlq h LEU 82 CO -0.68 0.45 0.28 0.03 -0.34 0.00 0.00 178.44 178.18 2dlq h ARG 83 N 0.85 0.85 0.00 1.25 2.47 -0.19 0.53 114.38 120.14 2dlq h ARG 83 Ca 0.41 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2dlq h ARG 83 Cb 0.45 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2dlq h ARG 83 CO -0.18 0.69 0.00 1.28 0.56 0.00 0.00 179.97 182.32 2dlq n LEU 84 N -4.53 0.50 -0.04 3.04 4.77 -0.56 -3.12 117.00 117.06 2dlq n LEU 84 Ca 0.04 0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 56.40 2dlq n LEU 84 Cb 0.12 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 2dlq n LEU 84 CO 0.38 -0.39 -0.77 1.57 -1.33 0.00 0.00 177.39 176.84 2dlq n HIS 85 N -2.03 1.09 -0.21 -1.77 -0.00 -0.63 -4.16 115.22 107.52 2dlq n HIS 85 Ca 0.03 0.30 0.17 0.00 0.46 0.00 0.00 57.72 58.68 2dlq n HIS 85 Cb 0.26 -1.13 0.50 0.00 -0.12 0.00 0.00 29.99 29.49 2dlq n HIS 85 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2dlq h MET 86 N -0.29 0.42 -0.98 1.57 2.86 -0.87 0.32 114.93 117.95 2dlq h MET 86 Ca -0.42 -0.03 0.26 0.00 -2.06 0.00 0.00 59.70 57.46 2dlq h MET 86 Cb 1.79 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 33.30 2dlq h MET 86 CO -0.03 0.28 0.67 -0.39 1.06 0.00 0.00 176.91 178.50 2dlq h VAL 87 N 0.43 0.55 0.00 -2.22 -1.51 -1.71 0.67 116.25 112.45 2dlq h VAL 87 Ca 0.42 -0.06 -0.09 0.00 -1.23 0.00 0.00 66.70 65.75 2dlq h VAL 87 Cb 1.00 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 2dlq h VAL 87 CO -0.15 0.03 -0.41 0.77 -1.23 0.00 0.00 177.57 176.58 2dlq h SER 88 N 0.18 0.00 0.07 4.19 4.64 -1.15 0.60 113.55 122.07 2dlq h SER 88 Ca 0.50 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.72 2dlq h SER 88 Cb 1.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.74 2dlq h SER 88 CO -0.11 0.41 -0.41 0.45 -0.87 0.00 0.00 176.83 176.30 2dlq h HIS 89 N 0.00 0.28 0.02 4.77 3.86 0.21 -3.35 115.15 120.95 2dlq h HIS 89 Ca -0.00 -0.20 -0.24 0.00 -1.16 0.00 0.00 60.37 58.77 2dlq h HIS 89 Cb 0.82 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2dlq h HIS 89 CO 0.00 1.15 -1.00 0.00 0.86 0.00 0.00 177.93 178.94 2dlq h THR 90 N -0.66 1.41 0.00 2.45 1.03 -1.28 -3.49 112.91 112.38 2dlq h THR 90 Ca -0.07 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.79 2dlq h THR 90 Cb 1.31 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.90 2dlq h THR 90 CO 0.08 0.76 0.00 0.61 -0.01 0.00 0.00 175.52 176.95 2dlq n GLY 91 N 1.05 3.21 3.49 2.99 0.00 0.21 -5.07 105.19 111.08 2dlq n GLY 91 Ca -0.07 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 2dlq n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dlq s GLU 92 N 0.00 0.85 0.78 1.61 2.02 -1.13 -4.65 118.70 118.18 2dlq s GLU 92 Ca 0.00 0.52 -0.17 0.00 0.02 0.00 0.00 54.97 55.34 2dlq s GLU 92 Cb 0.00 0.40 -0.13 0.00 0.10 0.00 0.00 34.13 34.51 2dlq s GLU 92 CO 0.00 -0.19 -0.31 -1.33 0.02 0.00 0.00 175.26 173.45 2dlq n MET 93 N 1.89 0.03 0.11 1.61 2.81 -1.26 -4.86 117.12 117.44 2dlq n MET 93 Ca -0.17 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.72 2dlq n MET 93 Cb 0.56 -1.16 0.21 0.00 -0.71 0.00 0.00 33.22 32.12 2dlq n MET 93 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2dlq h PRO 94 N -0.57 0.19 -6.77 0.03 0.13 -1.87 -3.44 132.00 119.68 2dlq h PRO 94 Ca -0.43 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 63.92 2dlq h PRO 94 Cb 1.36 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.29 2dlq h PRO 94 CO 0.33 0.63 -0.83 0.71 -0.23 0.00 0.00 178.00 178.61 2dlq s TYR 95 N -4.01 2.44 -0.04 1.56 2.02 -0.80 -5.02 117.35 113.51 2dlq s TYR 95 Ca -0.04 -0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.14 2dlq s TYR 95 Cb 0.13 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 2dlq s TYR 95 CO 0.77 0.34 0.47 0.15 -1.57 0.00 0.00 175.55 175.71 2dlq s LYS 96 N -1.98 0.81 0.51 -0.62 1.02 -1.26 -1.27 119.74 116.95 2dlq s LYS 96 Ca 0.16 0.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.15 2dlq s LYS 96 Cb -0.10 0.37 0.11 0.00 -0.52 0.00 0.00 37.83 37.69 2dlq s LYS 96 CO 0.08 -0.23 0.70 0.00 -0.92 0.00 0.00 175.35 174.98 2dlq n SER 98 N -3.35 0.95 0.08 0.00 3.41 -1.26 -4.02 113.62 109.43 2dlq n SER 98 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 2dlq n SER 98 Cb 0.33 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 2dlq n SER 98 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dlq h SER 99 N 0.00 -0.19 0.35 4.04 0.87 -2.01 -3.33 113.55 113.28 2dlq h SER 99 Ca 0.00 -0.27 -0.20 0.00 -1.23 0.00 0.00 61.79 60.09 2dlq h SER 99 Cb 0.98 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 2dlq h SER 99 CO 0.00 0.20 -1.82 0.00 -0.53 0.00 0.00 176.83 174.67 2dlq n SER 101 N -2.73 -2.74 -3.10 0.00 2.88 -1.25 -4.99 113.62 101.68 2dlq n SER 101 Ca -0.16 0.04 -0.16 0.00 -1.33 0.00 0.00 58.87 57.26 2dlq n SER 101 Cb 0.89 -1.62 0.15 0.00 -0.75 0.00 0.00 64.21 62.89 2dlq n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dlq n GLN 102 N -1.98 -3.23 -4.06 -1.46 6.02 -1.26 -4.45 117.38 106.95 2dlq n GLN 102 Ca -0.06 -0.82 -0.11 0.00 -0.01 0.00 0.00 57.00 56.00 2dlq n GLN 102 Cb 0.42 -0.98 -0.11 0.00 1.02 0.00 0.00 30.24 30.58 2dlq n GLN 102 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2dlq s GLN 103 N -4.16 0.53 0.06 -1.09 -0.21 -1.26 -1.75 119.66 111.78 2dlq s GLN 103 Ca 0.36 -0.85 -0.15 0.00 0.02 0.00 0.00 55.36 54.74 2dlq s GLN 103 Cb -0.06 -0.16 0.03 0.00 1.00 0.00 0.00 33.01 33.82 2dlq s GLN 103 CO 0.30 0.01 0.35 -0.06 -2.12 0.00 0.00 175.29 173.76 2dlq s PHE 104 N -1.92 -0.16 -0.12 0.91 0.40 -0.39 -4.94 117.98 111.76 2dlq s PHE 104 Ca -0.07 0.02 0.17 0.00 -0.60 0.00 0.00 56.93 56.46 2dlq s PHE 104 Cb -0.06 0.15 -0.18 0.00 0.51 0.00 0.00 43.02 43.44 2dlq s PHE 104 CO -0.01 -0.55 0.65 -1.33 0.70 0.00 0.00 175.22 174.67 2dlq n MET 105 N 0.42 0.64 -4.27 0.44 2.81 -1.26 -1.90 117.12 114.00 2dlq n MET 105 Ca -0.18 0.14 -0.24 0.00 -1.81 0.00 0.00 57.70 55.61 2dlq n MET 105 Cb 0.60 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 31.31 2dlq n MET 105 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2dlq s GLN 106 N -2.89 2.16 -0.11 0.03 -0.21 -1.26 -4.79 119.66 112.59 2dlq s GLN 106 Ca -0.05 -1.72 -0.24 0.00 0.02 0.00 0.00 55.36 53.37 2dlq s GLN 106 Cb 0.09 -1.99 -0.27 0.00 1.00 0.00 0.00 33.01 31.84 2dlq s GLN 106 CO 0.83 0.10 0.72 -0.22 -2.12 0.00 0.00 175.29 174.60 2dlq h LYS 107 N 1.71 0.12 -0.24 2.91 3.64 -1.99 -3.30 116.57 119.42 2dlq h LYS 107 Ca -0.43 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2dlq h LYS 107 Cb 1.25 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2dlq h LYS 107 CO 0.67 1.10 0.16 1.57 -2.27 0.00 0.00 179.45 180.67 2dlq h LYS 108 N -0.72 0.32 -0.68 1.90 2.10 -1.99 -1.50 116.57 116.00 2dlq h LYS 108 Ca -0.12 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 2dlq h LYS 108 Cb 1.33 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 2dlq h LYS 108 CO 0.03 0.21 0.32 0.22 -2.00 0.00 0.00 179.45 178.23 2dlq h ASP 109 N 0.33 0.87 0.05 7.07 1.82 -1.99 -1.81 116.42 122.75 2dlq h ASP 109 Ca 0.09 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2dlq h ASP 109 Cb -0.03 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.75 2dlq h ASP 109 CO -0.02 0.74 -0.02 0.25 -1.61 0.00 0.00 179.24 178.58 2dlq h LEU 110 N 0.96 -0.05 -0.54 2.28 5.85 -1.38 -2.51 115.31 119.91 2dlq h LEU 110 Ca 0.23 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.45 2dlq h LEU 110 Cb 0.10 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2dlq h LEU 110 CO -0.03 0.66 -0.16 1.56 -0.34 0.00 0.00 178.44 180.13 2dlq h GLN 111 N -0.85 -0.03 -0.39 1.25 4.20 -1.29 0.13 115.11 118.12 2dlq h GLN 111 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2dlq h GLN 111 Cb 0.66 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2dlq h GLN 111 CO 0.01 -0.02 -0.03 1.03 -0.67 0.00 0.00 178.83 179.15 2dlq h SER 112 N -0.03 0.62 -0.76 1.46 0.87 -1.44 -1.19 113.55 113.09 2dlq h SER 112 Ca 0.26 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2dlq h SER 112 Cb 0.43 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2dlq h SER 112 CO -0.57 0.71 0.33 -0.74 -0.53 0.00 0.00 176.83 176.03 2dlq h HIS 113 N 0.61 1.13 0.00 2.24 -0.00 -0.38 0.78 115.15 119.53 2dlq h HIS 113 Ca 0.12 -0.07 -0.16 0.00 -0.00 0.00 0.00 60.37 60.26 2dlq h HIS 113 Cb 0.43 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2dlq h HIS 113 CO 0.02 0.85 -0.76 0.52 -0.00 0.00 0.00 177.93 178.56 2dlq h MET 114 N 1.10 0.00 0.00 5.26 2.07 -0.65 0.79 114.93 123.51 2dlq h MET 114 Ca 0.26 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.82 2dlq h MET 114 Cb 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 2dlq h MET 114 CO -0.03 0.76 -0.32 0.82 1.07 0.00 0.00 176.91 179.21 2dlq h ILE 115 N 0.00 0.57 0.00 -1.22 2.04 -0.76 -0.71 117.51 117.43 2dlq h ILE 115 Ca -0.01 -1.72 -0.12 0.00 1.00 0.00 0.00 64.86 64.01 2dlq h ILE 115 Cb 1.44 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.72 2dlq h ILE 115 CO 0.10 0.31 -1.20 0.29 0.00 0.00 0.00 178.15 177.65 2dlq n LYS 116 N -3.20 0.52 -0.01 2.37 4.01 0.23 -3.75 118.16 118.33 2dlq n LYS 116 Ca 0.02 0.36 -0.17 0.00 -0.51 0.00 0.00 58.31 58.01 2dlq n LYS 116 Cb 0.64 -1.56 -0.11 0.00 -0.51 0.00 0.00 35.03 33.49 2dlq n LYS 116 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2dlq h LEU 117 N -1.00 0.45 -4.52 -0.35 3.38 -1.00 -3.31 115.31 108.96 2dlq h LEU 117 Ca -0.18 -0.76 -0.71 0.00 0.09 0.00 0.00 57.88 56.32 2dlq h LEU 117 Cb 1.03 -0.14 -0.30 0.00 0.09 0.00 0.00 40.66 41.34 2dlq h LEU 117 CO -0.11 1.14 0.77 1.41 0.09 0.00 0.00 178.44 181.75 2dlq n HIS 118 N -4.30 3.10 -0.74 1.13 8.25 -0.31 -4.81 115.22 117.53 2dlq n HIS 118 Ca -0.10 -2.64 -0.08 0.00 -0.26 0.00 0.00 57.72 54.63 2dlq n HIS 118 Cb 0.62 -1.17 -0.12 0.00 1.12 0.00 0.00 29.99 30.44 2dlq n HIS 118 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dlq n SER 119 N -0.69 4.17 -3.56 0.41 2.88 -0.96 -4.49 113.62 111.39 2dlq n SER 119 Ca 0.56 -2.26 -0.28 0.00 -1.33 0.00 0.00 58.87 55.56 2dlq n SER 119 Cb 0.46 -1.10 0.23 0.00 -0.75 0.00 0.00 64.21 63.06 2dlq n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlq n GLY 120 N 2.46 -2.49 3.73 0.46 0.00 -1.26 -4.97 105.19 103.11 2dlq n GLY 120 Ca 0.29 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2dlq n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlq s PRO 121 N -5.44 4.37 -0.04 1.61 0.04 -1.26 -5.03 135.00 129.24 2dlq s PRO 121 Ca 0.68 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 2dlq s PRO 121 Cb -0.06 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.28 2dlq s PRO 121 CO 0.51 -0.32 0.09 -1.12 0.04 0.00 0.00 177.00 176.20 2dlq s SER 122 N 0.69 -0.07 -0.23 6.66 0.01 -1.26 -5.13 113.70 114.37 2dlq s SER 122 Ca 0.60 0.19 0.01 0.00 1.31 0.00 0.00 55.95 58.06 2dlq s SER 122 Cb -0.36 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.07 2dlq s SER 122 CO 0.34 -0.08 -0.08 -0.55 0.41 0.00 0.00 173.24 173.28 2dlq s SER 123 N 0.49 3.87 0.00 2.44 0.15 -1.26 -5.30 113.70 114.08 2dlq s SER 123 Ca -0.04 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2dlq s SER 123 Cb -0.05 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2dlq s SER 123 CO -0.02 -0.20 0.30 0.61 1.20 0.00 0.00 173.24 175.14