#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s THR 2 N 0.00 3.25 0.09 0.00 -4.23 -1.26 -4.89 115.64 108.60 2qbd s THR 2 Ca 0.00 0.41 -0.34 0.00 -1.18 0.00 0.00 61.69 60.58 2qbd s THR 2 Cb 0.00 -2.96 -0.15 0.00 1.34 0.00 0.00 72.50 70.73 2qbd s THR 2 CO 0.00 -0.53 1.59 0.58 -0.54 0.00 0.00 174.62 175.72 2qbd h VAL 3 N -1.16 0.13 -0.98 2.29 2.07 -2.05 -2.50 116.25 114.06 2qbd h VAL 3 Ca -0.45 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.40 2qbd h VAL 3 Cb 1.24 0.13 -0.16 0.00 -1.52 0.00 0.00 31.29 30.99 2qbd h VAL 3 CO 0.54 0.00 0.46 0.78 0.02 0.00 0.00 177.57 179.37 2qbd h ASN 4 N -0.88 0.28 0.63 0.57 4.21 -2.00 -0.25 115.58 118.14 2qbd h ASN 4 Ca -0.04 0.22 -0.03 0.00 1.21 0.00 0.00 56.30 57.66 2qbd h ASN 4 Cb 0.78 0.23 0.01 0.00 -1.12 0.00 0.00 38.32 38.22 2qbd h ASN 4 CO -0.06 -0.26 -0.30 1.56 -1.29 0.00 0.00 177.43 177.08 2qbd h GLN 5 N 0.17 -0.81 -0.86 0.81 4.20 -1.83 -2.63 115.11 114.17 2qbd h GLN 5 Ca 0.73 0.06 0.16 0.00 0.06 0.00 0.00 58.65 59.65 2qbd h GLN 5 Cb 1.73 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 29.63 2qbd h GLN 5 CO -0.70 -0.51 0.56 -0.07 -0.67 0.00 0.00 178.83 177.44 2qbd h LEU 6 N -0.93 0.55 -0.66 1.46 3.38 -0.86 0.16 115.31 118.41 2qbd h LEU 6 Ca -0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qbd h LEU 6 Cb 0.67 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2qbd h LEU 6 CO 0.14 0.27 0.33 0.58 0.09 0.00 0.00 178.44 179.85 2qbd h VAL 7 N 0.57 1.22 0.00 1.22 2.07 -1.15 0.45 116.25 120.63 2qbd h VAL 7 Ca 0.43 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2qbd h VAL 7 Cb 0.83 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2qbd h VAL 7 CO -0.18 0.25 -0.47 0.03 0.02 0.00 0.00 177.57 177.21 2qbd h ARG 8 N 0.90 0.00 -1.61 1.57 3.08 -0.75 -3.40 114.38 114.18 2qbd h ARG 8 Ca 0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.97 2qbd h ARG 8 Cb 0.10 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.88 2qbd h ARG 8 CO -0.03 0.47 -0.66 0.21 -1.07 0.00 0.00 179.97 178.89 2qbd s LYS 9 N -3.16 0.88 1.10 0.04 2.47 0.39 -5.11 119.74 116.34 2qbd s LYS 9 Ca 0.03 -1.17 -0.21 0.00 -1.56 0.00 0.00 55.97 53.06 2qbd s LYS 9 Cb 0.09 -0.56 0.05 0.00 -1.46 0.00 0.00 37.83 35.94 2qbd s LYS 9 CO 0.73 -1.29 -0.32 -2.30 0.16 0.00 0.00 175.35 172.33 2qbd n PRO 10 N 3.47 -1.30 -2.36 4.03 -0.02 0.15 -4.27 135.00 134.70 2qbd n PRO 10 Ca 0.18 -0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 2qbd n PRO 10 Cb 0.51 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2qbd n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbd s ARG 11 N -3.15 4.35 -0.02 -0.52 1.81 -1.26 -5.00 118.95 115.16 2qbd s ARG 11 Ca 0.52 1.80 -0.22 0.00 -1.72 0.00 0.00 55.73 56.12 2qbd s ARG 11 Cb -0.07 -3.50 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 2qbd s ARG 11 CO 0.66 -0.44 0.63 0.00 -0.68 0.00 0.00 175.30 175.47 2qbd s ALA 12 N 1.96 3.44 0.00 2.13 0.00 -1.26 -5.06 121.76 122.97 2qbd s ALA 12 Ca 0.59 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2qbd s ALA 12 Cb -0.28 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2qbd s ALA 12 CO 0.25 0.08 0.00 0.54 0.00 0.00 0.00 175.76 176.64 2qbd n ARG 13 N 3.02 0.00 -3.64 0.00 5.12 -1.26 -5.10 116.66 114.80 2qbd n ARG 13 Ca -0.05 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.82 2qbd n ARG 13 Cb 0.51 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.75 2qbd n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2qbd s LYS 14 N 0.00 0.20 -1.20 5.56 0.00 -1.26 -5.08 119.74 117.96 2qbd s LYS 14 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 55.97 56.05 2qbd s LYS 14 Cb 0.00 0.10 0.20 0.00 0.00 0.00 0.00 37.83 38.13 2qbd s LYS 14 CO 0.00 -0.04 1.53 1.33 0.00 0.00 0.00 175.35 178.17 2qbd n VAL 15 N 1.47 4.45 -1.64 1.79 0.24 -1.26 -5.01 118.33 118.37 2qbd n VAL 15 Ca -0.09 -4.86 -0.47 0.00 -2.04 0.00 0.00 64.34 56.87 2qbd n VAL 15 Cb 0.57 -2.41 -0.04 0.00 -1.47 0.00 0.00 33.84 30.49 2qbd n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbd n ALA 16 N 4.19 0.46 -2.86 2.33 0.00 -1.26 -4.97 120.51 118.40 2qbd n ALA 16 Ca 0.35 0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.97 2qbd n ALA 16 Cb 0.39 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 2qbd n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2qbd s LYS 17 N 0.28 3.13 0.22 0.00 0.00 -1.26 -5.10 119.74 117.00 2qbd s LYS 17 Ca 0.76 -0.72 -0.24 0.00 0.00 0.00 0.00 55.97 55.78 2qbd s LYS 17 Cb -0.76 -2.80 -0.08 0.00 0.00 0.00 0.00 37.83 34.19 2qbd s LYS 17 CO 0.45 0.52 0.80 0.45 0.00 0.00 0.00 175.35 177.56 2qbd s SER 18 N -3.02 7.27 0.00 0.03 0.15 -1.26 -4.95 113.70 111.93 2qbd s SER 18 Ca 0.32 1.61 0.29 0.00 0.70 0.00 0.00 55.95 58.88 2qbd s SER 18 Cb -0.11 -2.49 1.48 0.00 -1.71 0.00 0.00 66.02 63.19 2qbd s SER 18 CO 0.25 0.09 2.02 0.59 1.20 0.00 0.00 173.24 177.39 2qbd n ASN 19 N 1.07 0.00 -3.38 5.45 3.02 -1.26 -4.47 115.26 115.69 2qbd n ASN 19 Ca -0.03 -0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.20 2qbd n ASN 19 Cb 0.50 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.30 2qbd n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qbd s VAL 20 N -2.56 -0.35 -0.91 2.41 -7.23 -1.26 -4.98 120.40 105.52 2qbd s VAL 20 Ca 0.28 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 2qbd s VAL 20 Cb 0.20 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 2qbd s VAL 20 CO 0.44 -0.54 2.08 -0.81 -0.31 0.00 0.00 175.10 175.96 2qbd n PRO 21 N 4.75 1.98 0.00 4.82 -0.04 -1.26 -4.57 135.00 140.68 2qbd n PRO 21 Ca 0.05 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 2qbd n PRO 21 Cb 0.45 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2qbd n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbd n ALA 22 N 5.15 2.33 -1.28 0.55 0.00 -1.26 -4.96 120.51 121.04 2qbd n ALA 22 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.95 2qbd n ALA 22 Cb 0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 2qbd n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbd n LEU 23 N -0.05 -0.92 -0.30 0.00 7.94 -1.26 -4.16 117.00 118.25 2qbd n LEU 23 Ca 0.00 1.73 -0.01 0.00 -1.11 0.00 0.00 56.01 56.62 2qbd n LEU 23 Cb 0.18 -2.57 -0.01 0.00 0.53 0.00 0.00 43.42 41.55 2qbd n LEU 23 CO 0.00 -0.85 -0.01 -0.62 -1.11 0.00 0.00 177.39 174.80 2qbd n GLU 24 N -2.97 -1.77 -3.37 1.96 1.02 -1.26 -1.90 120.64 112.36 2qbd n GLU 24 Ca -0.02 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 2qbd n GLU 24 Cb 0.36 -3.42 0.03 0.00 -0.02 0.00 0.00 31.44 28.40 2qbd n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbd n ALA 25 N 0.05 -2.55 -2.84 0.62 0.00 -1.26 -4.99 120.51 109.55 2qbd n ALA 25 Ca -0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 2qbd n ALA 25 Cb 0.13 -3.18 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 2qbd n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbd h PRO 27 N 4.08 0.00 -2.34 0.00 0.13 -1.92 -3.46 132.00 128.49 2qbd h PRO 27 Ca -0.50 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2qbd h PRO 27 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2qbd h PRO 27 CO 0.64 0.00 0.48 1.14 -0.23 0.00 0.00 178.00 180.03 2qbd s GLN 28 N -3.66 1.02 0.04 0.86 0.00 -1.26 -4.71 119.66 111.94 2qbd s GLN 28 Ca 0.01 -0.48 -0.03 0.00 -0.00 0.00 0.00 55.36 54.86 2qbd s GLN 28 Cb 0.09 0.40 -0.02 0.00 0.00 0.00 0.00 33.01 33.48 2qbd s GLN 28 CO 0.52 -0.46 0.04 0.15 0.00 0.00 0.00 175.29 175.55 2qbd s LYS 29 N -3.23 0.52 -0.16 9.60 -0.14 -1.03 -4.98 119.74 120.33 2qbd s LYS 29 Ca 0.08 -0.81 -0.16 0.00 -1.36 0.00 0.00 55.97 53.73 2qbd s LYS 29 Cb -0.01 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 2qbd s LYS 29 CO -0.04 -0.12 0.38 0.50 -0.76 0.00 0.00 175.35 175.32 2qbd s ARG 30 N -2.58 4.27 0.40 1.68 3.52 -1.26 -0.07 118.95 124.91 2qbd s ARG 30 Ca -0.05 0.24 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 2qbd s ARG 30 Cb -0.02 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2qbd s ARG 30 CO -0.05 0.15 0.18 0.20 -0.81 0.00 0.00 175.30 174.97 2qbd s GLY 31 N 0.65 2.24 -0.11 8.12 0.00 0.65 -0.77 107.32 118.10 2qbd s GLY 31 Ca 0.20 -2.04 0.14 0.00 0.00 0.00 0.00 44.72 43.02 2qbd s GLY 31 CO 0.07 -1.87 0.14 -0.62 0.00 0.00 0.00 173.10 170.81 2qbd n VAL 32 N -1.23 0.71 -1.95 1.40 0.31 -1.18 -2.94 118.33 113.45 2qbd n VAL 32 Ca -0.01 -0.54 -0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2qbd n VAL 32 Cb 0.64 -0.39 -0.00 0.00 -0.91 0.00 0.00 33.84 33.17 2qbd n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbd h THR 34 N 1.25 1.53 -2.81 0.00 2.02 0.23 -3.33 112.91 111.81 2qbd h THR 34 Ca -0.05 -2.95 0.02 0.00 0.77 0.00 0.00 66.41 64.21 2qbd h THR 34 Cb 0.11 2.74 -0.12 0.00 -1.74 0.00 0.00 68.15 69.13 2qbd h THR 34 CO 0.03 0.86 0.29 -0.60 0.37 0.00 0.00 175.52 176.47 2qbd s ARG 35 N -2.88 1.19 -0.28 6.66 6.06 -1.06 -4.89 118.95 123.75 2qbd s ARG 35 Ca -0.03 -0.46 0.01 0.00 -2.50 0.00 0.00 55.73 52.75 2qbd s ARG 35 Cb 0.09 0.53 0.08 0.00 0.06 0.00 0.00 34.95 35.71 2qbd s ARG 35 CO 0.85 -0.53 0.00 0.14 -2.50 0.00 0.00 175.30 173.27 2qbd s VAL 36 N -3.59 1.62 0.00 7.11 -7.23 -1.26 0.14 120.40 117.18 2qbd s VAL 36 Ca 0.03 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2qbd s VAL 36 Cb -0.01 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2qbd s VAL 36 CO -0.11 -0.35 0.00 -1.22 -0.31 0.00 0.00 175.10 173.11 2qbd n TYR 37 N 4.58 -0.83 -2.69 2.82 4.01 0.15 -4.94 117.16 120.26 2qbd n TYR 37 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 2qbd n TYR 37 Cb 0.43 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.54 2qbd n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qbd n THR 38 N -0.31 0.00 -0.52 -0.72 -2.24 -1.26 -3.17 114.28 106.05 2qbd n THR 38 Ca 0.00 -1.24 -0.29 0.00 -2.27 0.00 0.00 64.05 60.25 2qbd n THR 38 Cb 0.00 0.97 0.23 0.00 -2.10 0.00 0.00 70.33 69.43 2qbd n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qbd n THR 39 N -0.37 0.00 -3.99 4.28 -2.24 -1.16 -4.54 114.28 106.26 2qbd n THR 39 Ca -0.08 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 2qbd n THR 39 Cb 0.77 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 2qbd n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qbd s THR 40 N -2.28 5.00 1.04 4.28 -4.23 -1.26 -2.83 115.64 115.36 2qbd s THR 40 Ca 0.62 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 2qbd s THR 40 Cb -0.18 -3.49 0.21 0.00 1.34 0.00 0.00 72.50 70.38 2qbd s THR 40 CO 0.64 0.03 1.07 -2.16 -0.54 0.00 0.00 174.62 173.66 2qbd s PRO 41 N -2.77 0.07 0.00 3.99 0.04 -1.26 -4.86 135.00 130.21 2qbd s PRO 41 Ca 0.33 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2qbd s PRO 41 Cb -0.12 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2qbd s PRO 41 CO 0.26 -3.07 0.00 1.63 0.04 0.00 0.00 177.00 175.86 2qbd n LYS 42 N -4.46 0.00 0.00 4.56 4.76 -0.31 -4.90 118.16 117.81 2qbd n LYS 42 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2qbd n LYS 42 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2qbd n LYS 42 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qbd n LYS 43 N 0.00 0.00 0.21 1.97 5.02 -1.26 -4.83 118.16 119.27 2qbd n LYS 43 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2qbd n LYS 43 Cb 0.00 -0.11 0.81 0.00 -0.02 0.00 0.00 35.03 35.71 2qbd n LYS 43 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2qbd h PRO 44 N 0.00 0.00 -6.23 1.97 0.13 -2.02 -3.43 132.00 122.41 2qbd h PRO 44 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2qbd h PRO 44 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2qbd h PRO 44 CO 0.00 0.00 -0.42 -0.80 -0.23 0.00 0.00 178.00 176.55 2qbd s ASN 45 N -6.05 5.96 -0.13 1.44 0.02 -1.26 -5.12 114.94 109.80 2qbd s ASN 45 Ca -0.05 -0.13 -0.06 0.00 -1.02 0.00 0.00 52.86 51.60 2qbd s ASN 45 Cb 0.16 -1.48 0.06 0.00 0.02 0.00 0.00 41.25 40.01 2qbd s ASN 45 CO 0.58 -0.22 0.30 -0.55 0.02 0.00 0.00 177.10 177.23 2qbd s SER 46 N -4.03 -0.13 0.00 -1.22 0.15 -1.26 -4.59 113.70 102.62 2qbd s SER 46 Ca 0.38 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2qbd s SER 46 Cb -0.09 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2qbd s SER 46 CO 0.29 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.53 2qbd n ALA 47 N 4.67 0.00 -2.82 5.45 0.00 -1.26 -4.99 120.51 121.56 2qbd n ALA 47 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2qbd n ALA 47 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2qbd n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbd n LEU 48 N 0.00 5.74 -4.58 0.00 4.77 -1.26 -3.99 117.00 117.68 2qbd n LEU 48 Ca 0.00 -5.55 -0.53 0.00 -0.03 0.00 0.00 56.01 49.90 2qbd n LEU 48 Cb 0.00 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.19 2qbd n LEU 48 CO 0.00 2.21 0.87 0.54 -1.33 0.00 0.00 177.39 179.68 2qbd n ARG 49 N -0.12 1.00 -2.98 3.23 3.00 -1.13 -4.80 116.66 114.86 2qbd n ARG 49 Ca 0.38 0.36 -0.42 0.00 -0.01 0.00 0.00 57.85 58.16 2qbd n ARG 49 Cb 0.33 -1.99 -0.05 0.00 0.00 0.00 0.00 32.46 30.76 2qbd n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qbd s LYS 50 N 0.48 3.80 0.47 5.56 3.01 -1.26 -2.98 119.74 128.82 2qbd s LYS 50 Ca 0.86 0.34 0.03 0.00 -1.01 0.00 0.00 55.97 56.18 2qbd s LYS 50 Cb -1.00 -3.79 -0.03 0.00 -1.01 0.00 0.00 37.83 32.01 2qbd s LYS 50 CO 0.48 -0.78 0.02 0.08 0.51 0.00 0.00 175.35 175.66 2qbd s VAL 51 N 2.98 1.30 -0.26 3.17 1.01 -1.19 -1.60 120.40 125.82 2qbd s VAL 51 Ca 0.30 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 2qbd s VAL 51 Cb -0.14 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 33.96 2qbd s VAL 51 CO 0.15 0.00 0.91 0.00 0.00 0.00 0.00 175.10 176.16 2qbd s ARG 53 N 0.12 4.18 0.18 0.00 3.52 0.12 -1.51 118.95 125.57 2qbd s ARG 53 Ca 0.01 0.65 0.07 0.00 -0.13 0.00 0.00 55.73 56.32 2qbd s ARG 53 Cb -0.04 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2qbd s ARG 53 CO -0.03 0.55 -0.13 0.14 -0.81 0.00 0.00 175.30 175.02 2qbd s VAL 54 N -0.74 1.52 -0.64 7.11 -7.23 0.13 0.21 120.40 120.76 2qbd s VAL 54 Ca 0.28 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2qbd s VAL 54 Cb -0.18 -1.94 0.16 0.00 0.56 0.00 0.00 36.38 34.98 2qbd s VAL 54 CO 0.17 -0.63 0.41 -0.60 -0.31 0.00 0.00 175.10 174.14 2qbd s ARG 55 N -3.60 2.33 0.70 4.82 3.52 -1.26 -2.61 118.95 122.86 2qbd s ARG 55 Ca 0.19 -3.00 -0.17 0.00 -0.13 0.00 0.00 55.73 52.63 2qbd s ARG 55 Cb -0.00 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2qbd s ARG 55 CO 0.04 -1.21 0.46 1.28 -0.81 0.00 0.00 175.30 175.07 2qbd n LEU 56 N 2.55 0.45 0.23 -0.88 4.77 -0.96 -3.08 117.00 120.09 2qbd n LEU 56 Ca 0.13 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.83 2qbd n LEU 56 Cb 0.34 -1.18 0.65 0.00 -2.33 0.00 0.00 43.42 40.90 2qbd n LEU 56 CO 0.31 -3.25 0.94 0.71 -1.33 0.00 0.00 177.39 174.77 2qbd h THR 57 N -0.29 0.00 -0.55 -5.08 1.35 -1.32 0.14 112.91 107.16 2qbd h THR 57 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qbd h THR 57 Cb 1.36 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2qbd h THR 57 CO 0.43 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.24 2qbd n ASN 58 N -2.46 5.06 -2.64 5.36 6.94 -1.26 -4.96 115.26 121.30 2qbd n ASN 58 Ca -0.02 -2.76 -0.10 0.00 -0.02 0.00 0.00 54.58 51.69 2qbd n ASN 58 Cb 0.23 -0.62 0.05 0.00 -2.36 0.00 0.00 39.78 37.08 2qbd n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbd n GLY 59 N 0.62 -0.42 2.83 4.83 0.00 0.48 -5.05 105.19 108.48 2qbd n GLY 59 Ca 0.26 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 2qbd n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbd s PHE 60 N -3.25 1.22 -1.03 1.61 0.40 -1.24 -4.95 117.98 110.74 2qbd s PHE 60 Ca 0.28 -0.70 -0.20 0.00 -0.60 0.00 0.00 56.93 55.71 2qbd s PHE 60 Cb -0.04 -1.09 0.10 0.00 0.51 0.00 0.00 43.02 42.51 2qbd s PHE 60 CO 0.48 -0.51 1.33 -1.21 0.70 0.00 0.00 175.22 176.02 2qbd s GLU 61 N 1.79 3.69 0.29 0.44 0.41 -1.26 -2.27 118.70 121.79 2qbd s GLU 61 Ca 0.02 -1.66 0.10 0.00 -0.41 0.00 0.00 54.97 53.02 2qbd s GLU 61 Cb -0.14 -5.15 -0.05 0.00 -1.78 0.00 0.00 34.13 27.01 2qbd s GLU 61 CO -0.07 -1.97 -0.05 0.14 -0.49 0.00 0.00 175.26 172.82 2qbd s VAL 62 N 3.48 3.00 -0.17 2.63 -7.23 -1.07 -4.93 120.40 116.11 2qbd s VAL 62 Ca 0.40 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2qbd s VAL 62 Cb -0.02 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.22 2qbd s VAL 62 CO -0.07 -0.34 -0.12 0.42 -0.31 0.00 0.00 175.10 174.69 2qbd s THR 63 N -2.42 2.92 0.07 5.32 -4.23 -1.26 -0.69 115.64 115.34 2qbd s THR 63 Ca 0.32 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 2qbd s THR 63 Cb -0.05 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2qbd s THR 63 CO 0.19 0.49 -0.24 -0.94 -0.54 0.00 0.00 174.62 173.58 2qbd s SER 64 N 0.96 3.39 0.72 3.99 1.04 -0.57 -3.58 113.70 119.65 2qbd s SER 64 Ca -0.02 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.72 2qbd s SER 64 Cb -0.15 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.63 2qbd s SER 64 CO -0.01 0.24 1.07 -0.47 0.98 0.00 0.00 173.24 175.04 2qbd s TYR 65 N -0.91 3.07 -0.59 5.02 5.04 -0.16 -2.23 117.35 126.59 2qbd s TYR 65 Ca 0.13 1.33 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 2qbd s TYR 65 Cb -0.10 -2.94 0.15 0.00 0.35 0.00 0.00 41.96 39.41 2qbd s TYR 65 CO 0.04 -1.35 0.36 0.42 -1.34 0.00 0.00 175.55 173.68 2qbd s ILE 66 N -3.09 2.66 1.13 3.14 1.09 -0.63 -1.46 121.20 124.04 2qbd s ILE 66 Ca 0.59 -3.70 -0.17 0.00 -1.10 0.00 0.00 60.65 56.27 2qbd s ILE 66 Cb -0.14 -2.80 0.16 0.00 -1.06 0.00 0.00 42.46 38.62 2qbd s ILE 66 CO 0.55 -0.89 0.33 0.61 -0.10 0.00 0.00 174.94 175.43 2qbd n GLY 67 N 2.63 -2.33 0.28 6.18 0.00 -1.26 -4.81 105.19 105.89 2qbd n GLY 67 Ca 0.12 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.25 2qbd n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbd n GLY 68 N 1.70 -2.93 3.65 -0.02 0.00 -1.26 -4.85 105.19 101.47 2qbd n GLY 68 Ca 0.02 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2qbd n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbd s GLU 69 N -3.89 4.17 0.12 1.61 2.02 -1.26 -4.70 118.70 116.76 2qbd s GLU 69 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.30 2qbd s GLU 69 Cb 0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 2qbd s GLU 69 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2qbd n GLY 70 N 3.60 -4.98 0.00 -1.39 0.00 -1.26 -4.73 105.19 96.43 2qbd n GLY 70 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2qbd n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qbd n HIS 71 N 1.40 0.00 -2.27 1.61 1.44 -1.26 -4.72 115.22 111.42 2qbd n HIS 71 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2qbd n HIS 71 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 2qbd n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2qbd n ASN 72 N 0.00 -0.71 -4.86 4.39 6.94 -1.26 -5.08 115.26 114.67 2qbd n ASN 72 Ca 0.00 -1.45 -0.32 0.00 -0.02 0.00 0.00 54.58 52.79 2qbd n ASN 72 Cb 0.00 0.30 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 2qbd n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qbd s LEU 73 N -1.39 4.06 0.00 -4.53 1.43 -1.26 -4.88 118.68 112.12 2qbd s LEU 73 Ca 0.03 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2qbd s LEU 73 Cb 0.15 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2qbd s LEU 73 CO -0.04 -0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.34 2qbd n GLN 74 N -0.44 2.98 -0.00 1.70 6.02 -1.26 -4.99 117.38 121.39 2qbd n GLN 74 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 2qbd n GLN 74 Cb 0.53 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.67 2qbd n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qbd n GLU 75 N 0.00 0.94 -0.28 -1.09 2.13 -1.26 -4.41 120.64 116.67 2qbd n GLU 75 Ca 0.00 -0.07 0.04 0.00 0.66 0.00 0.00 57.16 57.79 2qbd n GLU 75 Cb 0.00 -1.37 0.05 0.00 0.27 0.00 0.00 31.44 30.39 2qbd n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2qbd n HIS 76 N -1.70 0.00 -2.38 4.31 8.25 -1.25 -4.34 115.22 118.11 2qbd n HIS 76 Ca 0.01 -0.39 -0.43 0.00 -0.26 0.00 0.00 57.72 56.65 2qbd n HIS 76 Cb 0.35 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 2qbd n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qbd s SER 77 N -1.61 6.61 -0.35 0.41 0.15 -1.23 -4.92 113.70 112.75 2qbd s SER 77 Ca 0.12 1.24 -0.29 0.00 0.70 0.00 0.00 55.95 57.72 2qbd s SER 77 Cb 0.10 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2qbd s SER 77 CO 0.01 -1.12 1.33 -0.69 1.20 0.00 0.00 173.24 173.97 2qbd s VAL 78 N 4.54 4.06 0.48 4.45 1.01 -1.26 -4.01 120.40 129.67 2qbd s VAL 78 Ca 0.59 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.75 2qbd s VAL 78 Cb -0.18 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2qbd s VAL 78 CO 0.24 -0.62 0.04 0.27 0.00 0.00 0.00 175.10 175.03 2qbd s ILE 79 N 4.76 1.51 -0.17 2.22 -4.36 -1.15 0.05 121.20 124.06 2qbd s ILE 79 Ca 0.57 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2qbd s ILE 79 Cb -0.15 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.11 2qbd s ILE 79 CO 0.27 0.00 -0.19 -0.22 0.24 0.00 0.00 174.94 175.04 2qbd s LEU 80 N -3.85 2.19 0.33 0.37 2.96 -1.26 -0.26 118.68 119.16 2qbd s LEU 80 Ca 0.18 -0.61 -0.26 0.00 -0.22 0.00 0.00 54.13 53.22 2qbd s LEU 80 Cb 0.04 -1.49 -0.09 0.00 0.50 0.00 0.00 46.19 45.14 2qbd s LEU 80 CO 0.10 0.02 1.00 -0.63 -1.32 0.00 0.00 176.35 175.51 2qbd s ILE 81 N 1.17 3.95 -0.10 6.68 -1.09 0.90 -0.36 121.20 132.36 2qbd s ILE 81 Ca 0.02 1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 59.98 2qbd s ILE 81 Cb -0.14 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 2qbd s ILE 81 CO -0.09 0.17 -0.23 -1.14 -1.23 0.00 0.00 174.94 172.41 2qbd n ARG 82 N 0.56 0.36 0.00 2.79 0.63 0.35 -2.48 116.66 118.87 2qbd n ARG 82 Ca 0.02 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2qbd n ARG 82 Cb 0.49 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.27 2qbd n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbd n GLY 83 N 2.10 1.10 3.15 5.14 0.00 -1.25 -4.53 105.19 110.90 2qbd n GLY 83 Ca -0.13 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.30 2qbd n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbd s GLY 84 N 0.00 -0.86 1.15 -0.02 0.00 -1.02 -4.76 107.32 101.81 2qbd s GLY 84 Ca 0.00 1.99 -0.13 0.00 0.00 0.00 0.00 44.72 46.58 2qbd s GLY 84 CO 0.00 3.70 0.99 -0.96 0.00 0.00 0.00 173.10 176.83 2qbd n ARG 85 N 5.39 -2.26 -3.83 2.90 1.85 -1.14 -3.54 116.66 116.03 2qbd n ARG 85 Ca 0.00 -0.62 -0.28 0.00 -1.00 0.00 0.00 57.85 55.95 2qbd n ARG 85 Cb 0.54 -2.17 -0.16 0.00 -1.05 0.00 0.00 32.46 29.61 2qbd n ARG 85 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qbd s VAL 86 N -2.42 0.94 0.29 8.89 1.01 -0.77 -4.89 120.40 123.45 2qbd s VAL 86 Ca 0.68 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2qbd s VAL 86 Cb -0.25 -1.29 0.28 0.00 0.00 0.00 0.00 36.38 35.12 2qbd s VAL 86 CO 0.65 -0.09 1.71 0.50 0.00 0.00 0.00 175.10 177.87 2qbd h LYS 87 N 8.14 0.46 -0.07 2.72 3.64 -1.96 0.28 116.57 129.78 2qbd h LYS 87 Ca -0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2qbd h LYS 87 Cb 1.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2qbd h LYS 87 CO 0.37 0.30 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 2qbd n ASP 88 N -4.99 0.81 -3.80 4.20 10.43 -1.26 -4.61 116.55 117.33 2qbd n ASP 88 Ca 0.22 -1.50 -0.30 0.00 2.57 0.00 0.00 54.79 55.77 2qbd n ASP 88 Cb 0.62 -0.04 -0.15 0.00 1.84 0.00 0.00 41.12 43.39 2qbd n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2qbd s LEU 89 N -1.66 2.91 0.39 0.64 2.01 0.99 -1.16 118.68 122.79 2qbd s LEU 89 Ca 0.33 -1.85 -0.26 0.00 0.01 0.00 0.00 54.13 52.35 2qbd s LEU 89 Cb 0.16 -1.07 -0.09 0.00 0.01 0.00 0.00 46.19 45.21 2qbd s LEU 89 CO 0.26 -0.39 1.23 -2.16 1.01 0.00 0.00 176.35 176.30 2qbd s PRO 90 N 1.34 4.10 0.00 1.29 0.04 -1.26 -2.93 135.00 137.57 2qbd s PRO 90 Ca 0.11 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2qbd s PRO 90 Cb -0.18 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2qbd s PRO 90 CO -0.19 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2qbd n GLY 91 N 0.71 1.72 3.56 0.56 0.00 -1.26 -4.91 105.19 105.56 2qbd n GLY 91 Ca 0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2qbd n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbd s VAL 92 N -0.20 3.42 -0.24 1.61 1.01 -1.15 -4.62 120.40 120.23 2qbd s VAL 92 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 61.98 61.96 2qbd s VAL 92 Cb 0.00 -3.99 0.36 0.00 0.00 0.00 0.00 36.38 32.75 2qbd s VAL 92 CO 0.00 -0.94 1.26 0.54 0.00 0.00 0.00 175.10 175.96 2qbd n ARG 93 N 8.98 2.38 -4.09 2.72 1.74 -1.24 -1.85 116.66 125.30 2qbd n ARG 93 Ca 0.33 -2.49 -0.07 0.00 -0.77 0.00 0.00 57.85 54.85 2qbd n ARG 93 Cb 0.49 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 2qbd n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2qbd s TYR 94 N -2.38 0.52 0.13 -1.55 2.02 -1.23 -2.44 117.35 112.42 2qbd s TYR 94 Ca 0.31 -1.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.03 2qbd s TYR 94 Cb 0.25 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 2qbd s TYR 94 CO 0.07 -0.39 -0.21 -1.01 -1.57 0.00 0.00 175.55 172.44 2qbd s HIS 95 N -3.92 1.88 -0.32 2.71 3.76 -1.25 -0.99 115.29 117.15 2qbd s HIS 95 Ca 0.08 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.39 2qbd s HIS 95 Cb 0.08 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 2qbd s HIS 95 CO -0.10 0.28 0.48 0.95 -0.85 0.00 0.00 174.74 175.50 2qbd s THR 96 N -1.46 5.06 -0.50 1.30 -4.23 -0.53 0.13 115.64 115.42 2qbd s THR 96 Ca 0.11 0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.81 2qbd s THR 96 Cb -0.09 -3.89 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 2qbd s THR 96 CO 0.05 -0.09 2.27 -0.69 -0.54 0.00 0.00 174.62 175.62 2qbd s VAL 97 N 2.30 3.09 0.10 2.29 1.01 0.52 -4.68 120.40 125.03 2qbd s VAL 97 Ca 0.18 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 2qbd s VAL 97 Cb -0.16 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2qbd s VAL 97 CO 0.12 -0.21 1.65 -0.13 0.00 0.00 0.00 175.10 176.52 2qbd s ARG 98 N 7.83 4.19 0.00 2.72 1.81 -1.26 -2.46 118.95 131.78 2qbd s ARG 98 Ca 0.91 2.37 0.00 0.00 -1.72 0.00 0.00 55.73 57.29 2qbd s ARG 98 Cb -0.17 -3.47 0.00 0.00 -0.45 0.00 0.00 34.95 30.86 2qbd s ARG 98 CO 0.26 -0.71 0.00 0.41 -0.68 0.00 0.00 175.30 174.57 2qbd n GLY 99 N 3.95 2.03 3.87 -3.53 0.00 0.25 -2.51 105.19 109.25 2qbd n GLY 99 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2qbd n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbd s ALA 100 N -2.43 3.73 0.00 4.61 0.00 -1.03 -4.83 121.76 121.81 2qbd s ALA 100 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2qbd s ALA 100 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2qbd s ALA 100 CO 0.00 0.57 0.00 1.28 0.00 0.00 0.00 175.76 177.61 2qbd n LEU 101 N 0.87 0.00 0.00 0.00 4.77 -1.26 -1.37 117.00 120.01 2qbd n LEU 101 Ca -0.08 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.96 2qbd n LEU 101 Cb 0.52 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.98 2qbd n LEU 101 CO 0.42 0.00 0.58 0.47 -1.33 0.00 0.00 177.39 177.53 2qbd n ASP 102 N -1.86 0.00 -4.64 -1.43 10.43 0.11 -4.62 116.55 114.54 2qbd n ASP 102 Ca 0.00 -0.44 -0.39 0.00 2.57 0.00 0.00 54.79 56.54 2qbd n ASP 102 Cb 0.00 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 2qbd n ASP 102 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbd n SER 104 N 4.93 -0.02 -4.19 0.00 3.41 -1.26 -2.41 113.62 114.09 2qbd n SER 104 Ca -0.08 -0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.25 2qbd n SER 104 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2qbd n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qbd s GLY 105 N -1.34 1.00 0.35 5.00 0.00 -1.26 0.86 107.32 111.92 2qbd s GLY 105 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 2qbd s GLY 105 CO 0.00 -1.45 1.39 -0.62 0.00 0.00 0.00 173.10 172.42 2qbd n VAL 106 N -0.13 1.90 -3.82 1.40 0.31 -0.91 -4.97 118.33 112.11 2qbd n VAL 106 Ca -0.08 -0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 63.47 2qbd n VAL 106 Cb 0.63 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.77 2qbd n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qbd s LYS 107 N -1.82 3.51 0.00 5.55 0.00 -1.26 -4.20 119.74 121.51 2qbd s LYS 107 Ca 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 55.97 56.19 2qbd s LYS 107 Cb -0.53 -2.95 0.00 0.00 0.00 0.00 0.00 37.83 34.35 2qbd s LYS 107 CO 0.62 0.53 0.00 -0.25 0.00 0.00 0.00 175.35 176.24 2qbd n ASP 108 N 0.02 0.00 -4.56 0.03 10.43 -1.26 -4.95 116.55 116.26 2qbd n ASP 108 Ca -0.04 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 56.93 2qbd n ASP 108 Cb 0.52 -1.01 0.04 0.00 1.84 0.00 0.00 41.12 42.51 2qbd n ASP 108 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 2qbd n ARG 109 N -2.00 0.84 0.11 -1.24 3.00 -1.26 -4.91 116.66 111.20 2qbd n ARG 109 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 2qbd n ARG 109 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 30.49 2qbd n ARG 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qbd n LYS 110 N -0.45 0.00 -2.82 -0.14 4.76 -1.26 -4.98 118.16 113.27 2qbd n LYS 110 Ca 0.12 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.16 2qbd n LYS 110 Cb 0.46 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.59 2qbd n LYS 110 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2qbd s GLN 111 N -2.00 4.77 -1.32 1.97 -0.21 -1.26 -3.70 119.66 117.91 2qbd s GLN 111 Ca 0.00 1.39 -0.01 0.00 0.02 0.00 0.00 55.36 56.76 2qbd s GLN 111 Cb 0.00 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.75 2qbd s GLN 111 CO 0.00 0.53 0.74 0.00 -2.12 0.00 0.00 175.29 174.44 2qbd n ALA 112 N 1.50 -1.96 -0.02 6.09 0.00 -1.26 -4.88 120.51 119.97 2qbd n ALA 112 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2qbd n ALA 112 Cb 0.48 -2.17 0.25 0.00 0.00 0.00 0.00 19.45 18.01 2qbd n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbd h ARG 113 N -1.89 0.58 -0.40 0.00 3.08 -1.88 -3.11 114.38 110.77 2qbd h ARG 113 Ca -0.61 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.36 2qbd h ARG 113 Cb 1.36 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 2qbd h ARG 113 CO 0.57 0.62 -0.49 0.77 -1.07 0.00 0.00 179.97 180.37 2qbd h SER 114 N 0.55 -1.64 -4.14 7.04 0.02 -1.90 -2.27 113.55 111.22 2qbd h SER 114 Ca 0.11 0.23 -0.52 0.00 -0.84 0.00 0.00 61.79 60.78 2qbd h SER 114 Cb 0.39 0.69 0.11 0.00 0.14 0.00 0.00 62.40 63.73 2qbd h SER 114 CO 0.02 -0.39 0.42 -0.54 -1.14 0.00 0.00 176.83 175.20 2qbd s LYS 115 N -5.76 2.88 0.00 3.45 1.02 -1.17 -2.08 119.74 118.08 2qbd s LYS 115 Ca -0.15 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.49 2qbd s LYS 115 Cb 0.10 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 2qbd s LYS 115 CO 0.63 -1.24 0.00 0.66 -0.92 0.00 0.00 175.35 174.49 2qbd n TYR 116 N -1.94 0.00 -3.08 3.18 0.53 -1.26 -4.43 117.16 110.16 2qbd n TYR 116 Ca 0.12 0.00 -0.00 0.00 -1.02 0.00 0.00 57.90 57.00 2qbd n TYR 116 Cb 0.51 -0.95 -0.00 0.00 -1.03 0.00 0.00 39.34 37.87 2qbd n TYR 116 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbd n GLY 117 N -1.14 -0.40 2.92 2.72 0.00 -0.88 -2.15 105.19 106.27 2qbd n GLY 117 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2qbd n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbd s VAL 118 N -0.36 -0.57 0.58 1.61 1.01 -0.85 -4.24 120.40 117.57 2qbd s VAL 118 Ca -0.02 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 2qbd s VAL 118 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2qbd s VAL 118 CO 0.06 -0.11 1.17 -1.59 0.00 0.00 0.00 175.10 174.64 2qbd s LYS 119 N 2.52 3.10 0.27 2.72 0.00 -1.26 -4.54 119.74 122.55 2qbd s LYS 119 Ca 0.11 1.72 -0.30 0.00 0.00 0.00 0.00 55.97 57.49 2qbd s LYS 119 Cb -0.15 -1.96 -0.11 0.00 0.00 0.00 0.00 37.83 35.61 2qbd s LYS 119 CO -0.15 -1.08 1.52 -0.98 0.00 0.00 0.00 175.35 174.66 2qbd s ARG 120 N -3.36 4.19 0.00 1.78 1.70 -1.26 -4.99 118.95 117.01 2qbd s ARG 120 Ca 0.75 2.45 0.00 0.00 -0.47 0.00 0.00 55.73 58.46 2qbd s ARG 120 Cb -0.27 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.04 2qbd s ARG 120 CO 0.31 -0.53 0.00 -0.35 -1.08 0.00 0.00 175.30 173.65 2qbd n PRO 121 N 2.25 0.00 -0.23 3.89 -0.04 -1.26 -4.91 135.00 134.70 2qbd n PRO 121 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2qbd n PRO 121 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2qbd n PRO 121 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qbd n LYS 122 N 0.00 0.00 0.00 0.54 4.01 -1.26 -5.31 118.16 116.14 2qbd n LYS 122 Ca 0.00 -0.58 0.10 0.00 -0.51 0.00 0.00 58.31 57.32 2qbd n LYS 122 Cb 0.00 -0.40 0.59 0.00 -0.51 0.00 0.00 35.03 34.72 2qbd n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29