#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlq n SER 2 N 0.00 -2.79 -4.44 1.61 7.64 -1.26 -5.01 113.62 109.37 2dlq n SER 2 Ca 0.00 0.38 -0.24 0.00 1.01 0.00 0.00 58.87 60.03 2dlq n SER 2 Cb 0.00 -1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 62.00 2dlq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dlq s SER 3 N -1.60 3.38 0.00 6.43 0.01 -1.26 -5.05 113.70 115.61 2dlq s SER 3 Ca 0.55 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2dlq s SER 3 Cb -0.25 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2dlq s SER 3 CO 0.68 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2dlq n GLY 4 N -0.40 -0.78 3.81 3.44 0.00 -1.26 -4.64 105.19 105.37 2dlq n GLY 4 Ca -0.07 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2dlq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlq s SER 5 N -4.00 -0.06 -0.16 1.61 0.15 -1.26 -5.09 113.70 104.88 2dlq s SER 5 Ca 0.00 -0.47 -0.14 0.00 0.70 0.00 0.00 55.95 56.03 2dlq s SER 5 Cb 0.00 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 2dlq s SER 5 CO 0.00 -0.81 -0.30 -0.24 1.20 0.00 0.00 173.24 173.09 2dlq n SER 6 N -0.85 1.78 -0.79 5.45 2.88 -1.26 -4.96 113.62 115.87 2dlq n SER 6 Ca -0.04 0.30 0.10 0.00 -1.33 0.00 0.00 58.87 57.90 2dlq n SER 6 Cb 0.60 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 2dlq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlq n GLY 7 N 1.72 -2.10 3.23 0.46 0.00 -1.26 -4.87 105.19 102.36 2dlq n GLY 7 Ca -0.20 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 2dlq n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dlq n VAL 8 N -3.26 0.00 -3.67 1.61 0.24 -1.23 -4.88 118.33 107.14 2dlq n VAL 8 Ca -0.01 -0.88 -0.15 0.00 -2.04 0.00 0.00 64.34 61.26 2dlq n VAL 8 Cb 0.36 -1.52 -0.07 0.00 -1.47 0.00 0.00 33.84 31.14 2dlq n VAL 8 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2dlq s GLU 9 N -5.34 0.83 -0.30 7.34 2.12 -1.26 -2.64 118.70 119.45 2dlq s GLU 9 Ca 0.62 -0.09 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 2dlq s GLU 9 Cb -0.02 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 2dlq s GLU 9 CO 0.43 -0.25 0.71 0.00 -0.54 0.00 0.00 175.26 175.62 2dlq n PRO 11 N 6.03 0.49 0.04 0.00 -0.04 -1.26 0.85 135.00 141.10 2dlq n PRO 11 Ca 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2dlq n PRO 11 Cb 0.48 -1.04 -0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.37 1.02 0.94 0.52 -1.04 -1.26 -4.82 114.28 109.27 2dlq n THR 12 Ca 0.00 0.32 0.10 0.00 -2.04 0.00 0.00 64.05 62.43 2dlq n THR 12 Cb 0.02 -1.59 -0.06 0.00 -1.82 0.00 0.00 70.33 66.87 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 -0.83 -2.14 -3.68 0.00 -0.00 0.25 -4.97 115.22 103.86 2dlq n HIS 14 Ca 0.06 0.83 -0.39 0.00 -0.00 0.00 0.00 57.72 58.22 2dlq n HIS 14 Cb 0.37 -4.53 -0.12 0.00 -0.00 0.00 0.00 29.99 25.71 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 -5.60 3.05 0.27 -0.41 2.20 -1.25 -4.71 119.74 113.29 2dlq s LYS 15 Ca 0.23 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 54.66 2dlq s LYS 15 Cb -0.10 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 2dlq s LYS 15 CO 0.62 -0.53 0.92 0.15 -0.36 0.00 0.00 175.35 176.15 2dlq s LYS 16 N 1.54 4.70 0.46 4.03 1.02 -1.26 -2.08 119.74 128.15 2dlq s LYS 16 Ca 0.03 1.37 0.03 0.00 0.02 0.00 0.00 55.97 57.42 2dlq s LYS 16 Cb -0.18 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2dlq s LYS 16 CO 0.05 0.42 0.08 -0.06 -0.92 0.00 0.00 175.35 174.92 2dlq s PHE 17 N -1.36 1.80 -0.09 3.18 0.40 -1.08 -4.97 117.98 115.86 2dlq s PHE 17 Ca 0.44 -1.17 -0.16 0.00 -0.60 0.00 0.00 56.93 55.44 2dlq s PHE 17 Cb -0.22 -1.34 -0.13 0.00 0.51 0.00 0.00 43.02 41.84 2dlq s PHE 17 CO 0.28 -0.10 0.56 -0.07 0.70 0.00 0.00 175.22 176.59 2dlq h LEU 18 N 1.57 -0.11 -8.48 -0.37 4.07 -1.96 -3.25 115.31 106.79 2dlq h LEU 18 Ca -0.38 -0.36 -0.53 0.00 0.08 0.00 0.00 57.88 56.68 2dlq h LEU 18 Cb 1.29 0.03 -0.25 0.00 1.08 0.00 0.00 40.66 42.81 2dlq h LEU 18 CO 0.63 0.52 -0.82 -0.94 -1.08 0.00 0.00 178.44 176.75 2dlq s SER 19 N -5.62 2.20 0.27 -0.43 1.04 -1.26 -4.60 113.70 105.31 2dlq s SER 19 Ca -0.10 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 2dlq s SER 19 Cb -0.00 -0.17 0.55 0.00 0.10 0.00 0.00 66.02 66.50 2dlq s SER 19 CO 0.36 0.11 1.62 0.50 0.98 0.00 0.00 173.24 176.81 2dlq h LYS 20 N 4.84 0.09 -0.94 4.02 3.64 -1.98 -0.39 116.57 125.84 2dlq h LYS 20 Ca -0.41 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2dlq h LYS 20 Cb 1.17 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.82 2dlq h LYS 20 CO 0.44 0.06 -0.39 0.98 -2.27 0.00 0.00 179.45 178.27 2dlq n TYR 21 N -5.38 -0.01 -0.21 1.91 9.36 -1.26 0.16 117.16 121.73 2dlq n TYR 21 Ca 0.17 1.16 0.03 0.00 3.32 0.00 0.00 57.90 62.59 2dlq n TYR 21 Cb 0.57 -0.83 0.29 0.00 -0.63 0.00 0.00 39.34 38.75 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 0.88 0.35 2.98 0.05 -1.49 -1.85 116.97 117.89 2dlq h TYR 22 Ca 0.31 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.10 2dlq h TYR 22 Cb 0.55 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2dlq h TYR 22 CO -0.84 0.51 -0.17 1.25 -1.05 0.00 0.00 178.16 177.86 2dlq h LEU 23 N 0.90 -0.40 -1.16 3.88 5.85 0.17 -1.76 115.31 122.80 2dlq h LEU 23 Ca 0.30 0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.40 2dlq h LEU 23 Cb 0.07 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.07 2dlq h LEU 23 CO -0.09 -0.13 0.66 0.07 -0.34 0.00 0.00 178.44 178.62 2dlq h LYS 24 N -0.78 0.21 -0.30 1.25 2.10 -0.28 0.82 116.57 119.59 2dlq h LYS 24 Ca -0.05 -0.01 -0.17 0.00 -2.00 0.00 0.00 60.65 58.42 2dlq h LYS 24 Cb 0.36 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2dlq h LYS 24 CO 0.08 0.14 -0.49 0.28 -2.00 0.00 0.00 179.45 177.46 2dlq h VAL 25 N 0.22 1.28 0.33 0.07 2.07 -1.35 -3.22 116.25 115.65 2dlq h VAL 25 Ca 0.76 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2dlq h VAL 25 Cb 2.00 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2dlq h VAL 25 CO -0.54 0.55 -0.16 -0.74 0.02 0.00 0.00 177.57 176.70 2dlq h HIS 26 N 0.64 -0.41 -0.78 1.57 -0.00 0.13 -3.25 115.15 113.05 2dlq h HIS 26 Ca 0.02 -0.01 0.30 0.00 -0.00 0.00 0.00 60.37 60.68 2dlq h HIS 26 Cb 1.10 0.14 -0.14 0.00 -0.00 0.00 0.00 27.41 28.50 2dlq h HIS 26 CO 0.07 -0.14 0.33 -1.71 -0.00 0.00 0.00 177.93 176.48 2dlq n ASN 27 N -5.08 0.19 -0.21 3.26 5.15 0.15 0.06 115.26 118.78 2dlq n ASN 27 Ca -0.07 1.30 0.15 0.00 -0.60 0.00 0.00 54.58 55.36 2dlq n ASN 27 Cb 0.23 -0.60 0.27 0.00 -0.53 0.00 0.00 39.78 39.16 2dlq n ASN 27 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dlq n ARG 28 N -4.84 -0.05 -0.12 1.20 1.74 -1.22 0.15 116.66 113.53 2dlq n ARG 28 Ca 0.27 0.93 -0.06 0.00 -0.77 0.00 0.00 57.85 58.22 2dlq n ARG 28 Cb 0.91 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2dlq n ARG 28 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dlq h LYS 29 N 0.00 -0.17 0.79 5.56 1.79 -0.61 -2.84 116.57 121.09 2dlq h LYS 29 Ca 0.46 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.90 2dlq h LYS 29 Cb 1.09 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2dlq h LYS 29 CO -0.55 -0.11 -0.38 0.45 -1.08 0.00 0.00 179.45 177.77 2dlq h HIS 30 N -0.17 -0.98 -1.53 -1.35 3.86 0.12 -3.43 115.15 111.67 2dlq h HIS 30 Ca 0.19 -0.02 -0.71 0.00 -1.16 0.00 0.00 60.37 58.67 2dlq h HIS 30 Cb 0.48 0.32 0.05 0.00 1.06 0.00 0.00 27.41 29.32 2dlq h HIS 30 CO -0.48 -0.61 0.42 0.25 0.86 0.00 0.00 177.93 178.37 2dlq n THR 31 N -4.92 0.02 0.00 2.45 -2.24 -1.07 -3.92 114.28 104.60 2dlq n THR 31 Ca -0.13 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2dlq n THR 31 Cb 0.42 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2dlq n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlq n GLY 32 N 2.48 0.81 3.91 3.38 0.00 -1.26 -4.89 105.19 109.60 2dlq n GLY 32 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2dlq n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dlq s GLU 33 N 0.39 2.34 0.58 1.61 2.02 -1.25 -5.08 118.70 119.31 2dlq s GLU 33 Ca 0.00 -1.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.00 2dlq s GLU 33 Cb 0.00 -2.25 -0.13 0.00 0.10 0.00 0.00 34.13 31.85 2dlq s GLU 33 CO 0.00 -0.50 -0.01 1.63 0.02 0.00 0.00 175.26 176.40 2dlq n LYS 34 N -1.74 0.12 0.13 1.61 4.01 -1.26 -4.82 118.16 116.22 2dlq n LYS 34 Ca 0.02 0.05 0.12 0.00 -0.51 0.00 0.00 58.31 57.99 2dlq n LYS 34 Cb 0.63 -1.20 0.50 0.00 -0.51 0.00 0.00 35.03 34.45 2dlq n LYS 34 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2dlq n PRO 35 N 1.12 0.20 -3.87 1.97 -0.04 -1.26 -4.71 135.00 128.41 2dlq n PRO 35 Ca 0.08 0.43 -0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2dlq n PRO 35 Cb 0.48 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 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 -3.33 -0.02 0.08 0.54 0.08 -1.26 -5.10 117.98 108.98 2dlq s PHE 36 Ca 0.04 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.98 2dlq s PHE 36 Cb 0.09 -0.01 0.04 0.00 -0.57 0.00 0.00 43.02 42.57 2dlq s PHE 36 CO 0.39 -0.09 0.41 -2.00 -0.10 0.00 0.00 175.22 173.83 2dlq s GLU 37 N -0.33 1.00 -0.33 0.44 2.12 -1.26 -1.77 118.70 118.56 2dlq s GLU 37 Ca -0.04 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2dlq s GLU 37 Cb -0.03 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.81 2dlq s GLU 37 CO 0.00 -0.37 1.37 0.00 -0.54 0.00 0.00 175.26 175.72 2dlq n PRO 39 N 7.61 0.49 -0.13 0.00 -0.04 -1.26 0.85 135.00 142.51 2dlq n PRO 39 Ca 0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 2dlq n PRO 39 Cb 0.47 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.95 0.61 -0.04 0.54 4.76 -1.26 -4.83 118.16 116.98 2dlq n LYS 40 Ca 0.11 0.20 -0.07 0.00 -2.87 0.00 0.00 58.31 55.68 2dlq n LYS 40 Cb 0.05 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 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 2.88 1.37 3.62 0.00 0.00 0.25 -5.01 105.19 108.31 2dlq n GLY 42 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.21 4.06 0.79 1.61 2.36 -1.25 -4.72 119.74 122.37 2dlq s LYS 43 Ca 0.00 0.14 -0.13 0.00 -2.55 0.00 0.00 55.97 53.44 2dlq s LYS 43 Cb 0.00 -3.63 0.07 0.00 -1.05 0.00 0.00 37.83 33.22 2dlq s LYS 43 CO 0.00 -0.25 1.15 0.00 1.55 0.00 0.00 175.35 177.80 2dlq s TYR 45 N -2.41 -1.02 0.20 0.00 2.02 -0.73 -4.91 117.35 110.50 2dlq s TYR 45 Ca 0.69 0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 58.23 2dlq s TYR 45 Cb -0.24 0.32 0.23 0.00 -0.40 0.00 0.00 41.96 41.87 2dlq s TYR 45 CO 0.51 -0.57 1.65 0.74 -1.57 0.00 0.00 175.55 176.31 2dlq h PHE 46 N 7.92 -0.19 -3.30 2.71 0.04 -1.97 -3.38 116.94 118.78 2dlq h PHE 46 Ca -0.15 0.05 -0.56 0.00 2.80 0.00 0.00 57.97 60.11 2dlq h PHE 46 Cb 1.17 0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.45 2dlq h PHE 46 CO 0.08 -0.21 0.00 -0.98 -0.60 0.00 0.00 178.31 176.60 2dlq s ARG 47 N -6.19 4.25 0.06 1.51 3.03 -1.26 -4.79 118.95 115.55 2dlq s ARG 47 Ca -0.14 0.79 0.10 0.00 2.03 0.00 0.00 55.73 58.51 2dlq s ARG 47 Cb 0.18 -3.21 -0.21 0.00 -1.03 0.00 0.00 34.95 30.69 2dlq s ARG 47 CO 0.73 0.61 1.04 -0.22 -1.13 0.00 0.00 175.30 176.33 2dlq h LYS 48 N 4.39 0.00 0.24 3.89 1.63 -1.99 -3.19 116.57 121.55 2dlq h LYS 48 Ca -0.49 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2dlq h LYS 48 Cb 1.21 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 2dlq h LYS 48 CO 0.64 0.78 -0.32 0.93 -3.45 0.00 0.00 179.45 178.03 2dlq h GLU 49 N 0.00 -0.60 0.12 1.90 3.07 -1.96 -0.34 114.58 116.79 2dlq h GLU 49 Ca -0.12 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 2dlq h GLU 49 Cb 1.85 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.89 2dlq h GLU 49 CO 0.11 -0.40 -0.06 -0.91 -1.40 0.00 0.00 179.01 176.35 2dlq h ASN 50 N -0.62 -0.14 -0.89 1.42 2.35 -1.99 -2.92 115.58 112.79 2dlq h ASN 50 Ca 0.00 -0.15 0.22 0.00 -0.55 0.00 0.00 56.30 55.82 2dlq h ASN 50 Cb 0.59 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 38.87 2dlq h ASN 50 CO -0.11 0.06 0.36 0.25 -1.65 0.00 0.00 177.43 176.35 2dlq h LEU 51 N -0.34 0.28 -0.74 1.61 5.85 -1.51 0.23 115.31 120.68 2dlq h LEU 51 Ca -0.02 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2dlq h LEU 51 Cb 0.28 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2dlq h LEU 51 CO 0.03 -0.02 0.47 -0.07 -0.34 0.00 0.00 178.44 178.51 2dlq h LEU 52 N 0.37 0.78 0.65 2.25 3.38 -0.88 -2.81 115.31 119.06 2dlq h LEU 52 Ca 0.55 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.49 2dlq h LEU 52 Cb 1.06 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dlq h LEU 52 CO -0.54 0.55 -0.31 -0.33 0.09 0.00 0.00 178.44 177.89 2dlq h GLU 53 N 0.93 -0.84 -0.81 1.13 5.08 -0.43 -3.16 114.58 116.47 2dlq h GLU 53 Ca 0.29 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.86 2dlq h GLU 53 Cb -0.00 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 2dlq h GLU 53 CO -0.10 -0.56 -0.23 1.58 -1.00 0.00 0.00 179.01 178.69 2dlq n HIS 54 N -4.65 0.22 -0.30 4.33 -0.00 -0.67 0.10 115.22 114.26 2dlq n HIS 54 Ca -0.11 0.99 0.17 0.00 -0.00 0.00 0.00 57.72 58.78 2dlq n HIS 54 Cb 0.35 -0.93 0.33 0.00 -0.00 0.00 0.00 29.99 29.73 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 -5.29 -0.07 -0.07 1.57 1.02 -1.07 0.38 120.64 117.11 2dlq n GLU 55 Ca 0.12 1.30 -0.22 0.00 -0.02 0.00 0.00 57.16 58.34 2dlq n GLU 55 Cb 0.39 -2.13 -0.12 0.00 -0.02 0.00 0.00 31.44 29.55 2dlq n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dlq n ALA 56 N -2.99 1.03 0.17 0.62 0.00 0.28 -4.55 120.51 115.07 2dlq n ALA 56 Ca 0.24 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 2dlq n ALA 56 Cb 0.80 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.34 -0.63 -3.26 0.00 1.12 1.00 -3.45 114.38 108.81 2dlq h ARG 57 Ca -0.48 0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 58.30 2dlq h ARG 57 Cb 1.78 0.14 -0.20 0.00 -0.01 0.00 0.00 29.97 31.68 2dlq h ARG 57 CO -0.09 -0.42 -0.37 -0.80 -3.11 0.00 0.00 179.97 175.18 2dlq s ASN 58 N -3.74 -0.09 0.07 -3.80 0.01 0.16 -5.02 114.94 102.52 2dlq s ASN 58 Ca -0.12 -0.07 -0.27 0.00 -0.71 0.00 0.00 52.86 51.69 2dlq s ASN 58 Cb 0.03 0.27 0.09 0.00 0.41 0.00 0.00 41.25 42.05 2dlq s ASN 58 CO 0.41 -0.43 1.06 0.00 -1.51 0.00 0.00 177.10 176.63 2dlq n MET 60 N -0.44 0.08 -1.90 0.00 1.56 -1.26 -4.77 117.12 110.39 2dlq n MET 60 Ca -0.07 0.04 -0.42 0.00 -0.27 0.00 0.00 57.70 56.98 2dlq n MET 60 Cb 0.61 -1.22 -0.03 0.00 2.15 0.00 0.00 33.22 34.73 2dlq n MET 60 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2dlq s ASN 61 N -1.13 6.60 0.12 6.12 0.01 -1.26 -4.90 114.94 120.50 2dlq s ASN 61 Ca 0.55 2.38 -0.24 0.00 -0.71 0.00 0.00 52.86 54.84 2dlq s ASN 61 Cb -0.37 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.70 2dlq s ASN 61 CO 0.68 -0.96 1.41 0.03 -1.51 0.00 0.00 177.10 176.76 2dlq h ARG 62 N 9.74 -0.01 -7.12 -0.60 3.08 -2.01 -3.40 114.38 114.07 2dlq h ARG 62 Ca -0.42 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.08 2dlq h ARG 62 Cb 1.20 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.40 2dlq h ARG 62 CO 0.95 -0.01 0.49 0.45 -1.07 0.00 0.00 179.97 180.78 2dlq s SER 63 N -4.90 4.66 -0.29 7.04 0.15 -1.26 -5.03 113.70 114.07 2dlq s SER 63 Ca -0.09 2.54 0.01 0.00 0.70 0.00 0.00 55.95 59.11 2dlq s SER 63 Cb 0.08 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.96 2dlq s SER 63 CO 0.47 -1.96 0.54 -0.70 1.20 0.00 0.00 173.24 172.79 2dlq s GLU 64 N -3.44 0.52 -0.46 5.44 2.56 -1.26 -5.11 118.70 116.94 2dlq s GLU 64 Ca 0.80 0.69 -0.28 0.00 0.00 0.00 0.00 54.97 56.18 2dlq s GLU 64 Cb -0.35 0.21 -0.00 0.00 2.00 0.00 0.00 34.13 35.99 2dlq s GLU 64 CO 0.39 -0.81 1.62 -1.14 -0.56 0.00 0.00 175.26 174.76 2dlq s GLN 65 N 2.77 3.25 0.60 4.30 0.74 -1.26 -4.99 119.66 125.07 2dlq s GLN 65 Ca 0.15 0.90 0.02 0.00 0.05 0.00 0.00 55.36 56.48 2dlq s GLN 65 Cb -0.13 -4.17 0.07 0.00 1.10 0.00 0.00 33.01 29.87 2dlq s GLN 65 CO -0.23 -1.98 0.84 0.14 -0.55 0.00 0.00 175.29 173.51 2dlq s VAL 66 N 6.75 2.46 0.30 1.34 -7.23 -1.26 -4.55 120.40 118.21 2dlq s VAL 66 Ca 0.66 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 60.25 2dlq s VAL 66 Cb -0.15 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 2dlq s VAL 66 CO 0.29 0.00 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.57 2dlq s PHE 67 N -2.86 2.35 -0.09 2.82 0.40 0.24 -4.92 117.98 115.93 2dlq s PHE 67 Ca 0.61 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.57 2dlq s PHE 67 Cb -0.08 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.30 2dlq s PHE 67 CO 0.40 0.66 -0.17 0.99 0.70 0.00 0.00 175.22 177.80 2dlq s THR 68 N -2.54 1.57 1.21 0.64 2.01 -1.26 -1.70 115.64 115.57 2dlq s THR 68 Ca 0.31 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2dlq s THR 68 Cb -0.02 -1.40 0.25 0.00 0.01 0.00 0.00 72.50 71.34 2dlq s THR 68 CO 0.16 0.45 0.63 0.00 -0.69 0.00 0.00 174.62 175.17 2dlq n SER 70 N -3.89 1.98 0.00 0.00 2.88 -1.26 -3.82 113.62 109.51 2dlq n SER 70 Ca 0.04 -1.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 2dlq n SER 70 Cb 0.56 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.39 0.00 0.33 2.46 0.31 -1.26 -4.83 118.33 115.72 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 -1.22 0.02 0.00 -0.91 0.00 0.00 33.84 31.98 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 0.07 -4.62 -0.14 0.00 1.13 -1.25 -4.91 117.38 107.66 2dlq n GLN 73 Ca 0.04 0.92 -0.13 0.00 -1.94 0.00 0.00 57.00 55.89 2dlq n GLN 73 Cb 0.18 -5.76 0.13 0.00 0.11 0.00 0.00 30.24 24.89 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 -3.94 -2.75 -4.55 -1.09 4.07 -1.26 -4.25 120.64 106.88 2dlq n GLU 74 Ca -0.13 -0.63 -0.26 0.00 -0.06 0.00 0.00 57.16 56.08 2dlq n GLU 74 Cb 0.63 -0.88 -0.17 0.00 -0.06 0.00 0.00 31.44 30.96 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 -1.47 1.27 -0.13 6.31 -4.23 -1.26 -2.55 115.64 113.58 2dlq s THR 75 Ca 0.29 -0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2dlq s THR 75 Cb -0.05 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.67 2dlq s THR 75 CO 0.24 0.39 0.02 -0.36 -0.54 0.00 0.00 174.62 174.37 2dlq s PHE 76 N 0.80 0.82 0.47 3.99 0.40 -0.69 -4.93 117.98 118.84 2dlq s PHE 76 Ca -0.12 -0.50 0.27 0.00 -0.60 0.00 0.00 56.93 55.99 2dlq s PHE 76 Cb -0.15 -0.91 1.32 0.00 0.51 0.00 0.00 43.02 43.79 2dlq s PHE 76 CO 0.02 -0.47 1.80 0.07 0.70 0.00 0.00 175.22 177.34 2dlq h ARG 77 N 8.29 0.19 -5.32 0.44 -0.00 -1.87 0.69 114.38 116.80 2dlq h ARG 77 Ca -0.18 -0.01 -0.55 0.00 -0.00 0.00 0.00 59.98 59.24 2dlq h ARG 77 Cb 1.12 -0.04 -0.13 0.00 -0.00 0.00 0.00 29.97 30.92 2dlq h ARG 77 CO 0.30 0.12 -0.58 1.03 -0.00 0.00 0.00 179.97 180.84 2dlq s ARG 78 N -5.22 1.83 -0.04 0.08 0.52 -1.26 -4.18 118.95 110.68 2dlq s ARG 78 Ca -0.07 -2.06 -0.03 0.00 -0.52 0.00 0.00 55.73 53.05 2dlq s ARG 78 Cb 0.24 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 2dlq s ARG 78 CO 0.80 -0.21 0.21 -0.09 0.02 0.00 0.00 175.30 176.03 2dlq h ARG 79 N 1.89 -0.12 -0.67 3.54 2.43 -1.92 -3.32 114.38 116.22 2dlq h ARG 79 Ca -0.41 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.91 2dlq h ARG 79 Cb 1.25 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 2dlq h ARG 79 CO 0.72 -0.08 -0.12 -0.12 -1.51 0.00 0.00 179.97 178.86 2dlq n MET 80 N -3.63 -0.06 -0.13 0.20 1.56 -1.26 0.13 117.12 113.94 2dlq n MET 80 Ca -0.02 1.03 -0.06 0.00 -0.27 0.00 0.00 57.70 58.38 2dlq n MET 80 Cb 0.05 -1.56 0.00 0.00 2.15 0.00 0.00 33.22 33.86 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 -0.18 -0.98 2.12 4.39 -1.97 0.11 114.58 118.07 2dlq h GLU 81 Ca 0.34 0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.23 2dlq h GLU 81 Cb 0.58 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 2dlq h GLU 81 CO -0.67 -0.12 0.61 1.25 -1.16 0.00 0.00 179.01 178.92 2dlq h LEU 82 N -0.19 0.74 -0.23 1.33 5.85 0.10 -0.78 115.31 122.13 2dlq h LEU 82 Ca 0.19 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2dlq h LEU 82 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2dlq h LEU 82 CO -0.53 0.30 0.11 0.03 -0.34 0.00 0.00 178.44 178.01 2dlq h ARG 83 N 0.74 0.34 0.00 1.25 2.47 -0.54 0.44 114.38 119.08 2dlq h ARG 83 Ca 0.54 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 2dlq h ARG 83 Cb 0.86 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2dlq h ARG 83 CO -0.31 0.34 0.00 1.28 0.56 0.00 0.00 179.97 181.84 2dlq n LEU 84 N -4.84 0.60 -0.01 3.04 4.77 -0.39 -2.47 117.00 117.71 2dlq n LEU 84 Ca -0.03 0.68 -0.21 0.00 -0.03 0.00 0.00 56.01 56.43 2dlq n LEU 84 Cb 0.10 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 2dlq n LEU 84 CO 0.35 -0.66 -0.85 1.57 -1.33 0.00 0.00 177.39 176.47 2dlq n HIS 85 N -2.20 1.16 -0.18 -1.77 -0.00 -0.63 -4.11 115.22 107.48 2dlq n HIS 85 Ca 0.01 0.25 0.23 0.00 0.46 0.00 0.00 57.72 58.66 2dlq n HIS 85 Cb 0.17 -1.15 0.61 0.00 -0.12 0.00 0.00 29.99 29.50 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 0.07 0.20 -1.00 1.57 2.86 -0.61 0.43 114.93 118.44 2dlq h MET 86 Ca -0.43 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.46 2dlq h MET 86 Cb 2.02 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 33.57 2dlq h MET 86 CO 0.07 0.13 0.68 -0.39 1.06 0.00 0.00 176.91 178.46 2dlq h VAL 87 N 0.20 0.55 0.00 -2.22 -1.51 -1.71 0.65 116.25 112.22 2dlq h VAL 87 Ca 0.42 -0.09 -0.07 0.00 -1.23 0.00 0.00 66.70 65.73 2dlq h VAL 87 Cb 1.33 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2dlq h VAL 87 CO -0.09 0.05 -0.32 0.28 -1.23 0.00 0.00 177.57 176.26 2dlq h SER 88 N 0.27 0.00 0.00 4.19 0.02 -1.15 0.68 113.55 117.56 2dlq h SER 88 Ca 0.53 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.45 2dlq h SER 88 Cb 1.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 2dlq h SER 88 CO -0.17 0.32 -0.20 0.45 -1.14 0.00 0.00 176.83 176.10 2dlq h HIS 89 N 0.00 0.00 -0.44 3.45 3.86 0.14 -3.37 115.15 118.78 2dlq h HIS 89 Ca -0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2dlq h HIS 89 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2dlq h HIS 89 CO 0.00 0.66 -0.29 0.00 0.86 0.00 0.00 177.93 179.15 2dlq h THR 90 N -1.00 1.27 0.00 2.45 1.03 -1.23 -3.42 112.91 112.01 2dlq h THR 90 Ca -0.04 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.89 2dlq h THR 90 Cb 0.67 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 2dlq h THR 90 CO -0.03 0.50 0.00 0.61 -0.01 0.00 0.00 175.52 176.59 2dlq n GLY 91 N 0.00 3.16 3.58 2.99 0.00 0.24 -4.73 105.19 110.43 2dlq n GLY 91 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 1.46 0.61 1.61 8.01 -1.14 -4.62 118.70 124.63 2dlq s GLU 92 Ca 0.00 -0.91 -0.17 0.00 0.01 0.00 0.00 54.97 53.90 2dlq s GLU 92 Cb 0.00 0.53 -0.03 0.00 -4.31 0.00 0.00 34.13 30.33 2dlq s GLU 92 CO 0.00 -0.63 1.14 -1.64 0.01 0.00 0.00 175.26 174.14 2dlq s MET 93 N -3.89 2.99 0.06 1.61 -1.94 -1.26 -4.88 119.30 111.99 2dlq s MET 93 Ca 0.11 1.56 -0.19 0.00 -1.71 0.00 0.00 55.69 55.46 2dlq s MET 93 Cb -0.02 -1.96 -0.13 0.00 2.01 0.00 0.00 34.83 34.74 2dlq s MET 93 CO -0.00 -1.13 1.37 -1.00 -0.01 0.00 0.00 175.02 174.24 2dlq h PRO 94 N 0.58 0.46 -6.10 2.03 0.13 -1.88 -3.45 132.00 123.77 2dlq h PRO 94 Ca -0.49 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 63.83 2dlq h PRO 94 Cb 1.26 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2dlq h PRO 94 CO 0.55 0.81 -0.52 0.71 -0.23 0.00 0.00 178.00 179.32 2dlq s TYR 95 N -4.32 3.34 -0.02 1.56 2.02 -1.06 -5.01 117.35 113.86 2dlq s TYR 95 Ca -0.14 0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.41 2dlq s TYR 95 Cb 0.06 -1.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.06 2dlq s TYR 95 CO 0.78 0.52 0.51 0.15 -1.57 0.00 0.00 175.55 175.94 2dlq s LYS 96 N -3.05 0.91 0.62 -0.62 1.02 -1.26 -1.81 119.74 115.55 2dlq s LYS 96 Ca 0.33 -0.02 -0.06 0.00 0.02 0.00 0.00 55.97 56.24 2dlq s LYS 96 Cb -0.11 0.42 0.13 0.00 -0.52 0.00 0.00 37.83 37.75 2dlq s LYS 96 CO 0.26 -0.29 0.84 0.00 -0.92 0.00 0.00 175.35 175.25 2dlq n SER 98 N -3.27 2.15 -0.05 0.00 2.88 -1.26 -4.01 113.62 110.07 2dlq n SER 98 Ca 0.12 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 2dlq n SER 98 Cb 0.42 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 2dlq n SER 98 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dlq h SER 99 N 0.00 0.44 0.00 -3.46 0.02 -2.01 -3.33 113.55 105.21 2dlq h SER 99 Ca 0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2dlq h SER 99 Cb 0.79 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2dlq h SER 99 CO 0.00 0.90 -1.26 0.00 -1.14 0.00 0.00 176.83 175.33 2dlq n SER 101 N -1.73 -5.06 -2.97 0.00 7.64 -1.25 -4.99 113.62 105.26 2dlq n SER 101 Ca -0.00 -0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.51 2dlq n SER 101 Cb 0.33 -3.88 0.11 0.00 -1.01 0.00 0.00 64.21 59.76 2dlq n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlq n GLN 102 N -3.31 -2.05 -3.82 1.43 1.13 -1.26 -4.55 117.38 104.95 2dlq n GLN 102 Ca -0.08 -0.76 -0.12 0.00 -1.94 0.00 0.00 57.00 54.11 2dlq n GLN 102 Cb 0.59 -0.72 -0.13 0.00 0.11 0.00 0.00 30.24 30.08 2dlq n GLN 102 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dlq s GLN 103 N -4.07 0.15 0.23 -1.09 -0.21 -1.26 -1.83 119.66 111.58 2dlq s GLN 103 Ca 0.31 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.89 2dlq s GLN 103 Cb -0.03 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 2dlq s GLN 103 CO 0.24 -0.02 0.17 -0.06 -2.12 0.00 0.00 175.29 173.50 2dlq s PHE 104 N 0.11 1.30 -0.06 0.91 0.40 -0.75 -4.97 117.98 114.93 2dlq s PHE 104 Ca -0.00 -1.44 0.12 0.00 -0.60 0.00 0.00 56.93 55.00 2dlq s PHE 104 Cb -0.01 -0.59 -0.18 0.00 0.51 0.00 0.00 43.02 42.76 2dlq s PHE 104 CO -0.00 -0.70 0.18 -1.33 0.70 0.00 0.00 175.22 174.07 2dlq n MET 105 N -0.36 1.06 -4.38 0.44 2.81 -1.26 -2.57 117.12 112.86 2dlq n MET 105 Ca 0.03 -0.07 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 2dlq n MET 105 Cb 0.65 -1.30 -0.13 0.00 -0.71 0.00 0.00 33.22 31.73 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 -2.64 1.47 0.06 0.03 -0.21 -1.26 -4.78 119.66 112.34 2dlq s GLN 106 Ca -0.05 -1.35 -0.20 0.00 0.02 0.00 0.00 55.36 53.78 2dlq s GLN 106 Cb 0.06 -1.92 -0.11 0.00 1.00 0.00 0.00 33.01 32.04 2dlq s GLN 106 CO 0.51 0.45 1.48 -0.22 -2.12 0.00 0.00 175.29 175.38 2dlq h LYS 107 N 3.77 0.34 0.00 2.91 3.64 -2.01 -2.78 116.57 122.44 2dlq h LYS 107 Ca -0.50 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 2dlq h LYS 107 Cb 1.17 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2dlq h LYS 107 CO 0.41 0.57 -0.08 1.57 -2.27 0.00 0.00 179.45 179.66 2dlq h LYS 108 N 0.07 0.00 -0.23 1.90 2.10 -1.99 -1.56 116.57 116.87 2dlq h LYS 108 Ca 0.05 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.58 2dlq h LYS 108 Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2dlq h LYS 108 CO 0.01 0.08 -0.36 -0.44 -2.00 0.00 0.00 179.45 176.73 2dlq h ASP 109 N 0.00 0.52 0.04 7.07 3.32 -1.92 -2.46 116.42 122.99 2dlq h ASP 109 Ca -0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 2dlq h ASP 109 Cb 0.17 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2dlq h ASP 109 CO 0.01 0.84 -0.25 0.25 -1.72 0.00 0.00 179.24 178.37 2dlq h LEU 110 N 0.42 0.15 -0.36 1.55 5.85 -1.19 -2.91 115.31 118.82 2dlq h LEU 110 Ca 0.04 -0.95 0.08 0.00 0.84 0.00 0.00 57.88 57.89 2dlq h LEU 110 Cb 0.83 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2dlq h LEU 110 CO 0.07 1.09 -0.12 1.56 -0.34 0.00 0.00 178.44 180.69 2dlq h GLN 111 N -0.75 -0.04 -0.81 1.25 4.20 -1.36 -0.77 115.11 116.82 2dlq h GLN 111 Ca -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2dlq h GLN 111 Cb 1.16 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 2dlq h GLN 111 CO 0.05 -0.03 0.42 1.03 -0.67 0.00 0.00 178.83 179.62 2dlq h SER 112 N -0.05 1.04 -0.97 1.46 0.87 -1.57 -0.26 113.55 114.08 2dlq h SER 112 Ca 0.18 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2dlq h SER 112 Cb 0.32 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 2dlq h SER 112 CO -0.40 0.87 0.63 -0.74 -0.53 0.00 0.00 176.83 176.66 2dlq h HIS 113 N 1.14 1.18 0.01 2.24 -0.00 -1.05 0.36 115.15 119.04 2dlq h HIS 113 Ca 0.28 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.48 2dlq h HIS 113 Cb 0.08 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 2dlq h HIS 113 CO 0.01 0.65 -0.89 0.52 -0.00 0.00 0.00 177.93 178.22 2dlq h MET 114 N 1.20 0.20 0.00 5.26 2.07 -0.74 0.92 114.93 123.83 2dlq h MET 114 Ca 0.40 -0.22 -0.06 0.00 -2.07 0.00 0.00 59.70 57.75 2dlq h MET 114 Cb 0.06 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 2dlq h MET 114 CO -0.14 0.96 -0.28 0.82 1.07 0.00 0.00 176.91 179.34 2dlq h ILE 115 N 0.11 0.56 0.00 -1.22 2.04 -0.27 0.79 117.51 119.52 2dlq h ILE 115 Ca -0.05 -1.50 -0.16 0.00 1.00 0.00 0.00 64.86 64.16 2dlq h ILE 115 Cb 1.53 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.63 2dlq h ILE 115 CO 0.14 0.28 -1.19 0.29 0.00 0.00 0.00 178.15 177.66 2dlq n LYS 116 N -3.27 0.52 -0.07 2.37 4.01 0.12 -3.89 118.16 117.95 2dlq n LYS 116 Ca 0.02 0.44 -0.13 0.00 -0.51 0.00 0.00 58.31 58.13 2dlq n LYS 116 Cb 0.56 -1.63 -0.11 0.00 -0.51 0.00 0.00 35.03 33.34 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 0.00 -3.52 -0.35 3.38 -0.95 -3.33 115.31 109.54 2dlq h LEU 117 Ca -0.23 -0.82 -0.35 0.00 0.09 0.00 0.00 57.88 56.56 2dlq h LEU 117 Cb 1.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 2dlq h LEU 117 CO -0.14 0.98 0.46 1.41 0.09 0.00 0.00 178.44 181.24 2dlq n HIS 118 N -4.61 1.69 -0.77 1.13 8.25 0.19 -4.71 115.22 116.39 2dlq n HIS 118 Ca -0.11 -2.06 -0.09 0.00 -0.26 0.00 0.00 57.72 55.20 2dlq n HIS 118 Cb 0.44 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.42 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 0.23 4.19 0.00 0.41 2.88 -0.71 -4.54 113.62 116.09 2dlq n SER 119 Ca 0.33 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2dlq n SER 119 Cb 0.59 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 2.52 0.58 0.18 0.46 0.00 -1.26 -4.97 105.19 102.70 2dlq n GLY 120 Ca 0.32 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.38 2dlq n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlq h PRO 121 N 0.00 0.00 -6.68 1.61 0.13 -2.00 -3.45 132.00 121.61 2dlq h PRO 121 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2dlq h PRO 121 Cb 0.00 0.00 0.20 0.00 0.13 0.00 0.00 31.00 31.33 2dlq h PRO 121 CO 0.00 0.00 -0.49 0.43 -0.23 0.00 0.00 178.00 177.71 2dlq n SER 122 N -2.51 -1.59 -3.64 1.44 7.64 -1.26 -5.02 113.62 108.68 2dlq n SER 122 Ca 0.01 0.50 -0.07 0.00 1.01 0.00 0.00 58.87 60.33 2dlq n SER 122 Cb 0.25 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 2dlq n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlq s SER 123 N -1.62 -0.35 0.00 6.43 0.15 -1.26 -5.01 113.70 112.04 2dlq s SER 123 Ca 0.62 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2dlq s SER 123 Cb -0.30 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2dlq s SER 123 CO 0.62 -0.11 0.32 0.61 1.20 0.00 0.00 173.24 175.87