#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqq s LYS 4 N 0.00 1.48 0.08 6.28 0.00 -1.26 -5.12 119.74 121.20 2qqq s LYS 4 Ca 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 55.97 54.25 2qqq s LYS 4 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 37.83 36.38 2qqq s LYS 4 CO 0.00 0.24 0.31 -1.21 0.00 0.00 0.00 175.35 174.70 2qqq s GLU 5 N -3.59 3.59 0.22 1.78 2.02 -1.26 -5.05 118.70 116.42 2qqq s GLU 5 Ca 0.26 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 2qqq s GLU 5 Cb -0.02 -2.98 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 2qqq s GLU 5 CO 0.10 0.56 1.22 -0.51 0.02 0.00 0.00 175.26 176.66 2qqq s LEU 6 N -2.24 4.46 0.16 1.80 1.02 -1.26 -4.65 118.68 117.96 2qqq s LEU 6 Ca 0.34 2.34 -0.31 0.00 0.02 0.00 0.00 54.13 56.52 2qqq s LEU 6 Cb -0.13 -3.62 -0.10 0.00 0.02 0.00 0.00 46.19 42.36 2qqq s LEU 6 CO 0.21 -0.39 1.62 -1.00 0.02 0.00 0.00 176.35 176.81 2qqq s HIS 7 N -0.34 2.91 -0.23 0.29 3.76 0.26 -4.78 115.29 117.16 2qqq s HIS 7 Ca 0.52 0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 55.85 2qqq s HIS 7 Cb -0.34 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.33 2qqq s HIS 7 CO 0.40 -3.68 0.10 0.08 -0.85 0.00 0.00 174.74 170.79 2qqq s VAL 8 N 1.42 4.86 -0.15 -0.90 1.01 -1.26 0.31 120.40 125.70 2qqq s VAL 8 Ca 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 2qqq s VAL 8 Cb -0.44 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2qqq s VAL 8 CO 0.32 0.37 -0.07 -0.54 0.00 0.00 0.00 175.10 175.17 2qqq s LYS 9 N 1.06 1.59 -0.20 2.72 1.02 0.23 -4.95 119.74 121.21 2qqq s LYS 9 Ca 0.05 -0.44 -0.17 0.00 0.02 0.00 0.00 55.97 55.43 2qqq s LYS 9 Cb -0.14 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2qqq s LYS 9 CO 0.04 -0.35 0.45 0.99 -0.92 0.00 0.00 175.35 175.56 2qqq s THR 10 N 1.63 5.15 0.10 2.17 2.01 -1.26 -0.00 115.64 125.45 2qqq s THR 10 Ca 0.03 0.81 0.09 0.00 0.31 0.00 0.00 61.69 62.93 2qqq s THR 10 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2qqq s THR 10 CO -0.08 0.21 -0.22 0.54 -0.69 0.00 0.00 174.62 174.38 2qqq s VAL 11 N 1.51 1.82 0.32 3.82 0.11 0.15 -4.93 120.40 123.20 2qqq s VAL 11 Ca 0.21 -1.57 -0.12 0.00 -2.93 0.00 0.00 61.98 57.57 2qqq s VAL 11 Cb -0.15 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 32.98 2qqq s VAL 11 CO 0.09 -0.02 0.70 -0.54 -3.33 0.00 0.00 175.10 172.00 2qqq s LYS 12 N -1.90 3.89 0.27 1.54 1.02 -1.26 -4.36 119.74 118.93 2qqq s LYS 12 Ca 0.08 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 2qqq s LYS 12 Cb -0.10 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.61 2qqq s LYS 12 CO 0.04 0.14 1.35 0.54 -0.92 0.00 0.00 175.35 176.50 2qqq n ARG 13 N -0.58 1.99 -0.04 1.68 1.74 -1.26 -1.53 116.66 118.67 2qqq n ARG 13 Ca 0.02 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2qqq n ARG 13 Cb 0.53 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 2qqq n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqq n GLY 14 N 1.73 2.54 3.90 -0.13 0.00 0.21 -4.83 105.19 108.61 2qqq n GLY 14 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2qqq n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqq s GLU 15 N -0.13 2.12 -0.11 1.61 2.02 -0.58 -3.92 118.70 119.70 2qqq s GLU 15 Ca 0.00 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 55.07 2qqq s GLU 15 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 2qqq s GLU 15 CO 0.00 -1.48 0.07 -0.80 0.02 0.00 0.00 175.26 173.07 2qqq s ASN 16 N -4.54 5.82 0.01 -0.19 -0.87 -1.26 0.74 114.94 114.64 2qqq s ASN 16 Ca 0.61 0.29 0.02 0.00 -1.57 0.00 0.00 52.86 52.21 2qqq s ASN 16 Cb -0.11 -1.81 -0.01 0.00 -0.02 0.00 0.00 41.25 39.30 2qqq s ASN 16 CO 0.49 0.37 -0.08 0.54 -2.57 0.00 0.00 177.10 175.85 2qqq s VAL 17 N -0.78 0.61 -0.09 1.60 0.11 0.27 -4.99 120.40 117.13 2qqq s VAL 17 Ca 0.13 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 2qqq s VAL 17 Cb -0.12 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2qqq s VAL 17 CO 0.03 0.07 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.76 2qqq s THR 18 N -0.40 1.84 -0.18 5.04 2.01 -1.26 -0.24 115.64 122.45 2qqq s THR 18 Ca 0.01 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 2qqq s THR 18 Cb -0.04 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 2qqq s THR 18 CO -0.00 0.51 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.35 2qqq s MET 19 N 0.38 3.50 0.12 4.92 -1.94 0.34 -4.97 119.30 121.65 2qqq s MET 19 Ca -0.17 -0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 53.02 2qqq s MET 19 Cb -0.17 -2.91 -0.07 0.00 2.01 0.00 0.00 34.83 33.69 2qqq s MET 19 CO 0.07 0.05 0.64 -1.21 -0.01 0.00 0.00 175.02 174.56 2qqq s GLU 20 N 0.83 4.27 -0.08 2.03 2.02 -1.26 -1.04 118.70 125.47 2qqq s GLU 20 Ca -0.02 0.82 -0.07 0.00 0.02 0.00 0.00 54.97 55.73 2qqq s GLU 20 Cb -0.15 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 30.95 2qqq s GLU 20 CO 0.01 0.57 0.20 0.00 0.02 0.00 0.00 175.26 176.07 2qqq s SER 22 N 0.24 6.35 0.46 0.00 0.15 -1.26 -1.19 113.70 118.44 2qqq s SER 22 Ca -0.01 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.22 2qqq s SER 22 Cb -0.02 -1.99 0.51 0.00 -1.71 0.00 0.00 66.02 62.81 2qqq s SER 22 CO -0.01 0.26 1.67 0.24 1.20 0.00 0.00 173.24 176.60 2qqq h MET 23 N 3.76 0.00 -0.31 5.44 2.86 -1.24 -3.42 114.93 122.02 2qqq h MET 23 Ca -0.49 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.18 2qqq h MET 23 Cb 1.18 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.81 2qqq h MET 23 CO 0.69 0.00 -0.18 0.43 1.06 0.00 0.00 176.91 178.91 2qqq n SER 24 N -3.09 -0.33 -0.04 1.22 7.64 -1.26 -1.91 113.62 115.84 2qqq n SER 24 Ca 0.03 1.11 0.14 0.00 1.01 0.00 0.00 58.87 61.16 2qqq n SER 24 Cb 0.49 -0.35 0.55 0.00 -1.01 0.00 0.00 64.21 63.89 2qqq n SER 24 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2qqq n LYS 25 N -3.66 0.29 -1.65 1.43 4.81 -1.26 -4.92 118.16 113.19 2qqq n LYS 25 Ca 0.01 -0.08 -0.48 0.00 -0.87 0.00 0.00 58.31 56.88 2qqq n LYS 25 Cb 0.08 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.59 2qqq n LYS 25 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qqq n VAL 26 N -1.28 0.03 -0.08 3.15 0.31 -0.81 -4.91 118.33 114.75 2qqq n VAL 26 Ca 0.10 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 2qqq n VAL 26 Cb 0.31 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 31.79 2qqq n VAL 26 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qqq h THR 27 N 3.51 1.65 -2.29 2.52 2.02 -1.91 -3.45 112.91 114.96 2qqq h THR 27 Ca -0.46 -2.31 -0.37 0.00 0.77 0.00 0.00 66.41 64.05 2qqq h THR 27 Cb 1.28 3.19 -0.35 0.00 -1.74 0.00 0.00 68.15 70.53 2qqq h THR 27 CO 0.85 0.56 -0.66 0.21 0.37 0.00 0.00 175.52 176.85 2qqq s ASN 28 N -6.31 2.04 0.22 4.18 3.84 -1.26 -5.02 114.94 112.62 2qqq s ASN 28 Ca -0.20 -0.84 -0.08 0.00 0.21 0.00 0.00 52.86 51.94 2qqq s ASN 28 Cb -0.02 0.33 0.34 0.00 -0.55 0.00 0.00 41.25 41.36 2qqq s ASN 28 CO 0.67 -0.40 1.25 0.29 -2.79 0.00 0.00 177.10 176.12 2qqq n LYS 29 N 5.30 -0.09 0.12 0.43 5.02 -1.26 -0.48 118.16 127.20 2qqq n LYS 29 Ca -0.03 1.25 0.19 0.00 -2.02 0.00 0.00 58.31 57.70 2qqq n LYS 29 Cb 0.46 -1.87 0.77 0.00 -0.02 0.00 0.00 35.03 34.37 2qqq n LYS 29 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2qqq h ASN 30 N 0.00 0.00 -0.29 4.39 -0.26 -1.95 -0.80 115.58 116.67 2qqq h ASN 30 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 2qqq h ASN 30 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 2qqq h ASN 30 CO -0.82 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.14 2qqq n ASN 31 N -3.80 2.23 -4.81 5.81 5.03 0.37 -4.79 115.26 115.30 2qqq n ASN 31 Ca 0.06 -1.85 -0.38 0.00 0.87 0.00 0.00 54.58 53.27 2qqq n ASN 31 Cb 0.52 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 39.03 2qqq n ASN 31 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qqq s LEU 32 N -1.39 4.43 -0.03 3.41 2.96 -0.31 -2.29 118.68 125.46 2qqq s LEU 32 Ca 0.33 0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 54.88 2qqq s LEU 32 Cb 0.18 -2.60 0.06 0.00 0.50 0.00 0.00 46.19 44.33 2qqq s LEU 32 CO 0.26 0.26 0.63 0.00 -1.32 0.00 0.00 176.35 176.18 2qqq s ALA 33 N -0.72 -1.65 -0.04 5.97 0.00 -0.42 -1.82 121.76 123.09 2qqq s ALA 33 Ca 0.24 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2qqq s ALA 33 Cb -0.16 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2qqq s ALA 33 CO 0.13 -0.38 0.31 -1.58 0.00 0.00 0.00 175.76 174.24 2qqq s TRP 34 N -1.35 3.68 -0.04 0.00 0.52 0.04 -1.31 118.94 120.48 2qqq s TRP 34 Ca -0.11 0.83 0.02 0.00 0.02 0.00 0.00 56.10 56.87 2qqq s TRP 34 Cb -0.01 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 2qqq s TRP 34 CO 0.08 0.68 -0.09 0.71 0.02 0.00 0.00 176.95 178.35 2qqq s TYR 35 N -1.06 2.86 -0.19 -1.98 1.51 0.75 -0.59 117.35 118.66 2qqq s TYR 35 Ca 0.21 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 2qqq s TYR 35 Cb -0.15 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2qqq s TYR 35 CO 0.10 0.31 -0.07 0.50 -1.11 0.00 0.00 175.55 175.28 2qqq s ARG 36 N -0.96 3.40 -0.28 -0.62 3.52 0.12 -0.46 118.95 123.67 2qqq s ARG 36 Ca 0.13 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2qqq s ARG 36 Cb -0.11 -2.88 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 2qqq s ARG 36 CO 0.03 -0.03 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.29 2qqq s GLN 37 N 1.02 2.11 0.61 5.12 0.74 0.26 -0.63 119.66 128.89 2qqq s GLN 37 Ca -0.00 -1.45 -0.16 0.00 0.05 0.00 0.00 55.36 53.80 2qqq s GLN 37 Cb -0.15 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 2qqq s GLN 37 CO -0.00 -0.66 1.08 -1.12 -0.55 0.00 0.00 175.29 174.04 2qqq s SER 38 N 1.09 5.58 0.12 6.67 0.01 -1.26 -1.08 113.70 124.83 2qqq s SER 38 Ca -0.04 1.91 -0.31 0.00 1.31 0.00 0.00 55.95 58.81 2qqq s SER 38 Cb -0.20 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 2qqq s SER 38 CO -0.05 -1.31 1.54 -0.36 0.41 0.00 0.00 173.24 173.47 2qqq s PHE 39 N -2.34 2.92 0.00 2.43 0.08 -1.26 -1.68 117.98 118.13 2qqq s PHE 39 Ca 0.66 0.62 0.00 0.00 0.12 0.00 0.00 56.93 58.33 2qqq s PHE 39 Cb -0.18 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 2qqq s PHE 39 CO 0.37 -3.27 0.00 0.41 -0.10 0.00 0.00 175.22 172.63 2qqq n GLY 40 N 3.76 0.80 3.67 4.36 0.00 -1.26 -5.01 105.19 111.50 2qqq n GLY 40 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2qqq n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqq s LYS 41 N -0.23 2.23 0.34 1.61 -0.14 -0.67 -5.12 119.74 117.76 2qqq s LYS 41 Ca 0.00 -1.60 -0.28 0.00 -1.36 0.00 0.00 55.97 52.73 2qqq s LYS 41 Cb 0.00 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.99 2qqq s LYS 41 CO 0.00 0.18 1.22 0.08 -0.76 0.00 0.00 175.35 176.06 2qqq s VAL 42 N -2.44 3.02 0.58 3.17 1.01 -1.26 -4.67 120.40 119.81 2qqq s VAL 42 Ca 0.35 0.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 2qqq s VAL 42 Cb -0.02 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2qqq s VAL 42 CO 0.21 0.19 1.18 -2.84 0.00 0.00 0.00 175.10 173.84 2qqq s PRO 43 N -1.87 3.09 0.04 2.72 0.02 -1.26 -4.63 135.00 133.11 2qqq s PRO 43 Ca 0.50 1.74 0.03 0.00 0.02 0.00 0.00 61.00 63.30 2qqq s PRO 43 Cb -0.35 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.19 2qqq s PRO 43 CO 0.46 -1.09 -0.10 -0.65 -0.33 0.00 0.00 177.00 175.28 2qqq s GLN 44 N -3.34 0.68 0.22 5.54 -0.21 0.20 -4.95 119.66 117.80 2qqq s GLN 44 Ca 0.75 -0.69 -0.32 0.00 0.02 0.00 0.00 55.36 55.12 2qqq s GLN 44 Cb -0.28 -0.59 -0.12 0.00 1.00 0.00 0.00 33.01 33.02 2qqq s GLN 44 CO 0.31 0.14 1.70 0.98 -2.12 0.00 0.00 175.29 176.30 2qqq n TYR 45 N 1.81 2.74 -0.03 0.91 9.36 -1.26 0.13 117.16 130.82 2qqq n TYR 45 Ca -0.19 0.08 -0.05 0.00 3.32 0.00 0.00 57.90 61.06 2qqq n TYR 45 Cb 0.55 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.58 2qqq n TYR 45 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qqq n PHE 46 N 3.66 0.00 -3.64 2.98 7.35 0.24 -4.75 117.46 123.30 2qqq n PHE 46 Ca 0.15 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.74 2qqq n PHE 46 Cb 0.35 -0.20 -0.07 0.00 0.35 0.00 0.00 39.48 39.90 2qqq n PHE 46 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2qqq s VAL 47 N -2.10 -0.00 0.19 -2.13 0.11 -1.10 -0.50 120.40 114.87 2qqq s VAL 47 Ca -0.08 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.07 2qqq s VAL 47 Cb 0.03 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2qqq s VAL 47 CO 0.10 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 171.81 2qqq s ARG 48 N 1.10 2.16 0.22 1.54 1.70 -0.67 -0.78 118.95 124.22 2qqq s ARG 48 Ca -0.06 -1.25 -0.32 0.00 -0.47 0.00 0.00 55.73 53.63 2qqq s ARG 48 Cb -0.05 -2.20 -0.14 0.00 -0.57 0.00 0.00 34.95 31.99 2qqq s ARG 48 CO -0.11 0.43 1.40 0.98 -1.08 0.00 0.00 175.30 176.92 2qqq n TYR 49 N -0.10 2.06 -3.64 5.89 4.19 -0.75 -1.27 117.16 123.53 2qqq n TYR 49 Ca -0.10 0.45 -0.13 0.00 3.31 0.00 0.00 57.90 61.42 2qqq n TYR 49 Cb 0.56 -2.45 -0.13 0.00 0.49 0.00 0.00 39.34 37.81 2qqq n TYR 49 CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 2qqq s TYR 50 N 0.07 -0.46 -0.19 2.98 5.04 -0.68 -4.76 117.35 119.35 2qqq s TYR 50 Ca 0.71 0.98 -0.29 0.00 -2.44 0.00 0.00 57.07 56.03 2qqq s TYR 50 Cb -0.68 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 41.56 2qqq s TYR 50 CO 0.48 -0.39 1.93 0.45 -1.34 0.00 0.00 175.55 176.68 2qqq s SER 51 N 2.44 5.98 0.07 4.32 0.15 -1.26 -3.03 113.70 122.36 2qqq s SER 51 Ca 0.02 1.85 -0.26 0.00 0.70 0.00 0.00 55.95 58.26 2qqq s SER 51 Cb -0.12 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.75 2qqq s SER 51 CO -0.09 -1.55 1.19 -0.94 1.20 0.00 0.00 173.24 173.04 2qqq s SER 52 N 6.05 0.01 0.13 5.45 1.04 -1.26 -4.96 113.70 120.16 2qqq s SER 52 Ca 0.86 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 56.76 2qqq s SER 52 Cb -0.31 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2qqq s SER 52 CO 0.34 -0.58 1.53 0.78 0.98 0.00 0.00 173.24 176.29 2qqq h ASN 53 N 2.00 0.84 0.61 7.02 2.35 -1.98 -3.23 115.58 123.19 2qqq h ASN 53 Ca -0.24 -0.38 -0.18 0.00 -0.55 0.00 0.00 56.30 54.95 2qqq h ASN 53 Cb 1.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 2qqq h ASN 53 CO 0.34 1.03 -0.80 0.28 -1.65 0.00 0.00 177.43 176.63 2qqq h SER 54 N 0.65 0.18 0.00 5.81 0.02 -1.97 -3.48 113.55 114.75 2qqq h SER 54 Ca 0.10 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2qqq h SER 54 Cb 0.68 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2qqq h SER 54 CO 0.05 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2qqq n GLY 55 N 0.71 0.76 3.33 -3.77 0.00 -1.22 -4.66 105.19 100.33 2qqq n GLY 55 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2qqq n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qqq s TYR 56 N -2.67 0.08 -0.05 1.61 -0.85 -1.17 -1.68 117.35 112.62 2qqq s TYR 56 Ca 0.00 -0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 56.08 2qqq s TYR 56 Cb 0.00 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.47 2qqq s TYR 56 CO 0.00 -0.70 0.04 0.21 -1.52 0.00 0.00 175.55 173.58 2qqq s LYS 57 N -3.88 0.19 0.52 -3.49 2.20 -0.40 -4.72 119.74 110.16 2qqq s LYS 57 Ca 0.09 0.27 -0.21 0.00 -0.36 0.00 0.00 55.97 55.76 2qqq s LYS 57 Cb 0.03 -0.68 -0.06 0.00 -1.51 0.00 0.00 37.83 35.60 2qqq s LYS 57 CO -0.07 -0.31 1.17 -0.06 -0.36 0.00 0.00 175.35 175.72 2qqq s PHE 58 N 2.05 2.70 0.62 4.03 0.08 -1.26 -1.66 117.98 124.53 2qqq s PHE 58 Ca 0.04 1.53 -0.19 0.00 0.12 0.00 0.00 56.93 58.44 2qqq s PHE 58 Cb -0.12 -3.38 -0.03 0.00 -0.57 0.00 0.00 43.02 38.92 2qqq s PHE 58 CO -0.04 -1.69 1.19 0.00 -0.10 0.00 0.00 175.22 174.58 2qqq n ALA 59 N -0.99 0.88 -0.28 5.36 0.00 0.35 -4.91 120.51 120.91 2qqq n ALA 59 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.57 2qqq n ALA 59 Cb 0.49 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.77 2qqq n ALA 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qqq h GLU 60 N 0.63 -0.02 0.00 0.00 5.08 -1.93 -2.53 114.58 115.82 2qqq h GLU 60 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qqq h GLU 60 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2qqq h GLU 60 CO 0.53 -0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 2qqq n GLY 61 N -1.52 -0.89 3.16 -3.84 0.00 -1.26 -4.78 105.19 96.07 2qqq n GLY 61 Ca 0.11 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2qqq n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qqq s PHE 62 N -2.00 3.13 -0.25 1.61 5.36 -0.95 -5.06 117.98 119.82 2qqq s PHE 62 Ca 0.07 -1.79 0.03 0.00 -0.96 0.00 0.00 56.93 54.27 2qqq s PHE 62 Cb 0.03 -2.03 0.06 0.00 -0.34 0.00 0.00 43.02 40.74 2qqq s PHE 62 CO 0.05 -0.78 -0.11 0.21 -1.46 0.00 0.00 175.22 173.13 2qqq s LYS 63 N 1.26 2.21 -0.30 10.12 2.20 -1.26 -4.83 119.74 129.13 2qqq s LYS 63 Ca -0.03 -1.30 0.05 0.00 -0.36 0.00 0.00 55.97 54.34 2qqq s LYS 63 Cb -0.18 -2.85 0.19 0.00 -1.51 0.00 0.00 37.83 33.48 2qqq s LYS 63 CO -0.04 -0.56 0.54 0.34 -0.36 0.00 0.00 175.35 175.27 2qqq s ASP 64 N 1.13 -1.01 0.00 1.43 -1.08 -1.26 -5.00 116.67 110.89 2qqq s ASP 64 Ca -0.08 -0.11 0.04 0.00 -0.52 0.00 0.00 52.55 51.88 2qqq s ASP 64 Cb -0.20 1.74 0.23 0.00 -1.46 0.00 0.00 42.92 43.23 2qqq s ASP 64 CO -0.05 -0.30 0.94 -1.54 0.52 0.00 0.00 175.17 174.74 2qqq n SER 65 N 5.27 0.00 0.18 -0.34 3.41 -1.26 -1.14 113.62 119.74 2qqq n SER 65 Ca 0.05 0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 2qqq n SER 65 Cb 0.53 -0.25 0.40 0.00 -0.26 0.00 0.00 64.21 64.62 2qqq n SER 65 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qqq h ARG 66 N 0.00 0.00 -5.49 4.33 3.08 -1.94 -3.44 114.38 110.92 2qqq h ARG 66 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2qqq h ARG 66 Cb 0.04 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.99 2qqq h ARG 66 CO 0.00 0.00 -0.33 -0.06 -1.07 0.00 0.00 179.97 178.51 2qqq s PHE 67 N -3.27 3.46 0.03 3.04 0.08 -0.29 -0.78 117.98 120.24 2qqq s PHE 67 Ca 0.07 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.70 2qqq s PHE 67 Cb 0.09 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2qqq s PHE 67 CO 0.58 0.25 0.03 -1.13 -0.10 0.00 0.00 175.22 174.85 2qqq n SER 68 N 3.53 -0.08 -4.12 1.36 3.41 -0.46 -4.95 113.62 112.31 2qqq n SER 68 Ca -0.12 -1.17 -0.08 0.00 -0.26 0.00 0.00 58.87 57.23 2qqq n SER 68 Cb 0.52 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.54 2qqq n SER 68 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qqq s MET 69 N -2.09 0.70 -0.34 4.33 -1.94 -1.26 -1.58 119.30 117.11 2qqq s MET 69 Ca 0.03 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.74 2qqq s MET 69 Cb 0.00 0.10 0.09 0.00 2.01 0.00 0.00 34.83 37.03 2qqq s MET 69 CO 0.02 -0.10 0.07 0.99 -0.01 0.00 0.00 175.02 175.99 2qqq s THR 70 N -3.85 2.80 -0.14 2.05 2.01 0.11 -4.94 115.64 113.67 2qqq s THR 70 Ca 0.10 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.19 2qqq s THR 70 Cb 0.07 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.76 2qqq s THR 70 CO -0.08 -0.44 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.58 2qqq s VAL 71 N 1.10 1.55 0.00 3.82 1.01 -1.26 -1.63 120.40 124.99 2qqq s VAL 71 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2qqq s VAL 71 Cb -0.21 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2qqq s VAL 71 CO -0.05 0.46 0.00 -0.46 0.00 0.00 0.00 175.10 175.05 2qqq n ASN 72 N 4.70 0.00 0.13 3.32 0.23 -0.75 -4.93 115.26 117.97 2qqq n ASN 72 Ca -0.17 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.86 2qqq n ASN 72 Cb 0.50 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.40 2qqq n ASN 72 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2qqq h ASP 73 N 0.00 0.07 0.08 0.53 3.58 -2.02 -3.33 116.42 115.33 2qqq h ASP 73 Ca 0.00 -0.04 -0.37 0.00 0.42 0.00 0.00 57.03 57.04 2qqq h ASP 73 Cb 0.00 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 2qqq h ASP 73 CO 0.00 0.62 -2.27 0.00 -2.88 0.00 0.00 179.24 174.71 2qqq n GLN 74 N -3.88 0.68 -4.55 0.28 6.02 -1.26 -4.70 117.38 109.97 2qqq n GLN 74 Ca -0.02 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.82 2qqq n GLN 74 Cb 0.57 -1.59 -0.12 0.00 1.02 0.00 0.00 30.24 30.12 2qqq n GLN 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2qqq s LYS 75 N -2.53 2.27 -0.42 -1.09 1.02 -1.25 -0.79 119.74 116.95 2qqq s LYS 75 Ca -0.24 -0.88 0.10 0.00 0.02 0.00 0.00 55.97 54.97 2qqq s LYS 75 Cb 0.08 -2.32 0.31 0.00 -0.52 0.00 0.00 37.83 35.38 2qqq s LYS 75 CO 0.71 0.56 0.69 0.34 -0.92 0.00 0.00 175.35 176.74 2qqq n PHE 76 N 1.50 0.66 -3.88 3.18 7.35 -0.33 -1.81 117.46 124.13 2qqq n PHE 76 Ca -0.16 -3.78 -0.36 0.00 -0.76 0.00 0.00 57.45 52.39 2qqq n PHE 76 Cb 0.52 -0.42 -0.07 0.00 0.35 0.00 0.00 39.48 39.86 2qqq n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qqq s ASP 77 N -2.18 6.14 -0.13 -2.13 1.01 -0.64 -3.87 116.67 114.86 2qqq s ASP 77 Ca 0.40 0.31 -0.20 0.00 0.71 0.00 0.00 52.55 53.77 2qqq s ASP 77 Cb 0.28 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 2qqq s ASP 77 CO -0.09 0.29 0.56 -0.22 0.21 0.00 0.00 175.17 175.92 2qqq s LEU 78 N -0.33 4.25 -0.04 1.23 0.20 -0.21 -0.72 118.68 123.06 2qqq s LEU 78 Ca 0.11 0.89 0.05 0.00 0.69 0.00 0.00 54.13 55.87 2qqq s LEU 78 Cb -0.12 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.80 2qqq s LEU 78 CO 0.01 -0.09 -0.20 0.20 -0.29 0.00 0.00 176.35 175.98 2qqq s ASN 79 N 0.82 3.57 -0.09 3.68 0.01 -0.62 0.13 114.94 122.44 2qqq s ASN 79 Ca 0.29 -0.33 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 2qqq s ASN 79 Cb -0.16 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 40.84 2qqq s ASN 79 CO 0.12 0.32 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.21 2qqq s ILE 80 N -0.61 1.73 -0.24 0.60 1.09 0.66 -1.35 121.20 123.07 2qqq s ILE 80 Ca 0.09 -0.83 -0.06 0.00 -1.10 0.00 0.00 60.65 58.75 2qqq s ILE 80 Cb -0.11 -1.51 -0.02 0.00 -1.06 0.00 0.00 42.46 39.76 2qqq s ILE 80 CO 0.00 0.49 0.04 -0.63 -0.10 0.00 0.00 174.94 174.74 2qqq s ILE 81 N 0.43 4.03 -0.14 2.92 -1.09 0.04 -0.56 121.20 126.82 2qqq s ILE 81 Ca -0.17 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2qqq s ILE 81 Cb -0.17 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 2qqq s ILE 81 CO 0.07 0.34 0.12 0.61 -1.23 0.00 0.00 174.94 174.86 2qqq n GLY 82 N 4.89 0.55 3.58 6.18 0.00 -1.04 -4.75 105.19 114.60 2qqq n GLY 82 Ca -0.17 -0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 2qqq n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqq n ALA 83 N -1.69 -0.42 -2.41 4.61 0.00 0.23 -4.28 120.51 116.55 2qqq n ALA 83 Ca -0.01 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 2qqq n ALA 83 Cb 0.52 -2.01 -0.13 0.00 0.00 0.00 0.00 19.45 17.82 2qqq n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qqq s ARG 84 N -1.19 1.46 0.35 0.00 0.52 -1.26 0.67 118.95 119.50 2qqq s ARG 84 Ca 0.63 -1.35 0.11 0.00 -0.52 0.00 0.00 55.73 54.60 2qqq s ARG 84 Cb -0.75 -1.92 0.88 0.00 0.52 0.00 0.00 34.95 33.68 2qqq s ARG 84 CO 0.57 0.45 1.80 1.49 0.02 0.00 0.00 175.30 179.63 2qqq h GLU 85 N 3.79 0.61 0.00 3.54 4.81 -1.97 0.60 114.58 125.96 2qqq h GLU 85 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2qqq h GLU 85 Cb 1.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2qqq h GLU 85 CO 0.41 0.40 0.00 -0.25 -0.73 0.00 0.00 179.01 178.84 2qqq n ASP 86 N -4.68 0.00 0.20 1.04 8.00 -1.26 -1.38 116.55 118.46 2qqq n ASP 86 Ca 0.23 0.43 0.08 0.00 0.71 0.00 0.00 54.79 56.24 2qqq n ASP 86 Cb 0.65 -0.46 0.29 0.00 -0.02 0.00 0.00 41.12 41.58 2qqq n ASP 86 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2qqq h ASP 87 N 0.00 0.00 -3.34 -2.24 3.32 -0.20 -3.46 116.42 110.50 2qqq h ASP 87 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2qqq h ASP 87 Cb 0.16 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.86 2qqq h ASP 87 CO 0.00 0.27 0.19 0.61 -1.72 0.00 0.00 179.24 178.59 2qqq n GLY 88 N 0.62 -0.16 0.00 2.75 0.00 -0.48 -4.85 105.19 103.07 2qqq n GLY 88 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qqq n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqq n GLY 89 N 1.18 0.35 3.39 -0.02 0.00 0.10 -4.54 105.19 105.66 2qqq n GLY 89 Ca 0.11 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 2qqq n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqq s GLU 90 N -2.00 2.97 -0.13 1.61 2.02 -0.24 -0.20 118.70 122.73 2qqq s GLU 90 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2qqq s GLU 90 Cb 0.00 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.75 2qqq s GLU 90 CO 0.00 0.38 -0.18 0.71 0.02 0.00 0.00 175.26 176.19 2qqq s TYR 91 N -0.10 2.72 -0.09 1.61 1.51 0.31 0.92 117.35 124.24 2qqq s TYR 91 Ca -0.02 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 2qqq s TYR 91 Cb -0.14 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 2qqq s TYR 91 CO 0.04 -0.40 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.81 2qqq s PHE 92 N 0.56 2.28 -0.19 2.71 2.99 0.39 -0.32 117.98 126.41 2qqq s PHE 92 Ca -0.11 -0.94 -0.08 0.00 0.00 0.00 0.00 56.93 55.81 2qqq s PHE 92 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 43.02 41.26 2qqq s PHE 92 CO 0.04 -0.40 0.07 0.00 -0.00 0.00 0.00 175.22 174.93 2qqq s GLY 94 N 0.55 1.06 -0.09 0.00 0.00 -0.43 -0.31 107.32 108.10 2qqq s GLY 94 Ca 0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 2qqq s GLY 94 CO 0.01 -0.86 0.04 1.85 0.00 0.00 0.00 173.10 174.13 2qqq s GLU 95 N -3.51 0.32 0.10 2.90 2.12 -0.74 -1.30 118.70 118.59 2qqq s GLU 95 Ca 0.28 0.10 -0.31 0.00 0.36 0.00 0.00 54.97 55.40 2qqq s GLU 95 Cb 0.00 -1.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.22 2qqq s GLU 95 CO 0.15 -0.40 1.74 0.08 -0.54 0.00 0.00 175.26 176.29 2qqq s VAL 96 N 2.04 2.74 -0.45 3.70 1.01 -0.97 -1.73 120.40 126.75 2qqq s VAL 96 Ca 0.04 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2qqq s VAL 96 Cb -0.13 -3.16 0.19 0.00 0.00 0.00 0.00 36.38 33.28 2qqq s VAL 96 CO -0.05 0.00 0.78 -1.61 0.00 0.00 0.00 175.10 174.22 2qqq s GLU 97 N 2.61 0.81 -0.03 2.72 2.02 0.22 -4.89 118.70 122.16 2qqq s GLU 97 Ca 0.77 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 55.13 2qqq s GLU 97 Cb -0.43 0.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.78 2qqq s GLU 97 CO 0.34 -1.05 -0.03 0.41 0.02 0.00 0.00 175.26 174.95 2qqq n GLY 98 N 3.36 -0.05 0.00 -1.39 0.00 -1.26 -4.03 105.19 101.82 2qqq n GLY 98 Ca 0.14 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2qqq n GLY 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qqq n ILE 99 N -2.75 0.02 -4.22 -0.61 -0.00 -1.26 -4.90 119.36 105.63 2qqq n ILE 99 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.57 2qqq n ILE 99 Cb 0.56 -0.51 -0.10 0.00 -0.00 0.00 0.00 39.64 39.59 2qqq n ILE 99 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 2qqq s ILE 100 N -2.88 0.64 -0.08 7.28 -5.25 -1.26 -5.16 121.20 114.50 2qqq s ILE 100 Ca 0.18 -1.97 -0.10 0.00 -0.99 0.00 0.00 60.65 57.77 2qqq s ILE 100 Cb 0.19 -2.05 -0.05 0.00 2.95 0.00 0.00 42.46 43.51 2qqq s ILE 100 CO 0.51 -0.54 0.25 -0.51 -1.79 0.00 0.00 174.94 172.86 2qqq s ILE 101 N -3.68 5.31 -0.23 8.37 -1.16 -1.26 0.72 121.20 129.28 2qqq s ILE 101 Ca 0.22 0.47 -0.06 0.00 -0.51 0.00 0.00 60.65 60.77 2qqq s ILE 101 Cb 0.06 -3.53 -0.02 0.00 0.61 0.00 0.00 42.46 39.58 2qqq s ILE 101 CO 0.02 0.59 0.03 -0.54 -2.81 0.00 0.00 174.94 172.23 2qqq s LYS 102 N -0.95 3.60 -0.03 3.50 1.02 -0.71 -4.93 119.74 121.24 2qqq s LYS 102 Ca 0.18 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.49 2qqq s LYS 102 Cb -0.14 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2qqq s LYS 102 CO 0.07 -0.12 0.47 -0.06 -0.92 0.00 0.00 175.35 174.80 2qqq s PHE 103 N 1.38 3.66 -0.10 3.18 0.08 -1.26 -1.80 117.98 123.12 2qqq s PHE 103 Ca 0.05 1.02 0.15 0.00 0.12 0.00 0.00 56.93 58.26 2qqq s PHE 103 Cb -0.15 -2.44 -0.21 0.00 -0.57 0.00 0.00 43.02 39.65 2qqq s PHE 103 CO 0.02 0.44 0.16 0.25 -0.10 0.00 0.00 175.22 175.99 2qqq n THR 104 N 2.53 0.67 -3.80 0.64 -2.24 0.58 -4.96 114.28 107.69 2qqq n THR 104 Ca -0.10 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 2qqq n THR 104 Cb 0.52 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 2qqq n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qqq s SER 105 N -4.51 -0.28 -0.11 3.42 1.04 -1.20 -5.02 113.70 107.03 2qqq s SER 105 Ca -0.07 -0.55 -0.31 0.00 0.48 0.00 0.00 55.95 55.50 2qqq s SER 105 Cb 0.07 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.98 2qqq s SER 105 CO 0.64 -1.22 1.05 -0.83 0.98 0.00 0.00 173.24 173.86 2qqq s GLY 106 N -2.90 -0.34 -0.04 7.32 0.00 -1.26 -1.06 107.32 109.03 2qqq s GLY 106 Ca 0.11 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.33 2qqq s GLY 106 CO 0.03 0.56 -0.10 -1.59 0.00 0.00 0.00 173.10 172.00 2qqq s THR 107 N -2.43 0.85 -0.40 0.90 2.01 0.57 -0.57 115.64 116.57 2qqq s THR 107 Ca 0.06 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 2qqq s THR 107 Cb -0.01 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.74 2qqq s THR 107 CO -0.06 0.27 0.36 -0.60 -0.69 0.00 0.00 174.62 173.91 2qqq s ARG 108 N 0.34 3.17 -0.26 4.92 3.52 0.15 -0.53 118.95 130.26 2qqq s ARG 108 Ca -0.06 -0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 54.67 2qqq s ARG 108 Cb -0.11 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 2qqq s ARG 108 CO 0.01 -0.72 0.12 -1.17 -0.81 0.00 0.00 175.30 172.73 2qqq s LEU 109 N 1.93 3.71 0.20 -0.88 2.96 0.72 0.78 118.68 128.09 2qqq s LEU 109 Ca 0.09 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 2qqq s LEU 109 Cb -0.18 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2qqq s LEU 109 CO 0.12 -0.04 -0.06 0.00 -1.32 0.00 0.00 176.35 175.04 2qqq s GLN 110 N 1.68 1.24 0.00 1.98 -2.07 1.00 -0.72 119.66 122.77 2qqq s GLN 110 Ca 0.07 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.03 2qqq s GLN 110 Cb -0.16 -0.72 0.00 0.00 -1.09 0.00 0.00 33.01 31.05 2qqq s GLN 110 CO 0.07 0.02 0.51 1.19 -1.32 0.00 0.00 175.29 175.76