#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qck h GLU 9 N 0.00 0.82 0.31 -4.13 4.39 -2.05 -2.18 114.58 111.73 2qck h GLU 9 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2qck h GLU 9 Cb 0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2qck h GLU 9 CO 0.00 0.54 -0.15 0.78 -1.16 0.00 0.00 179.01 179.02 2qck h GLY 10 N 0.84 -0.43 0.51 -3.84 0.00 -2.04 -2.27 103.07 95.83 2qck h GLY 10 Ca 0.44 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.98 2qck h GLY 10 CO -0.20 -0.16 0.00 -0.84 0.00 0.00 0.00 176.54 175.35 2qck h THR 11 N -0.69 0.77 0.01 4.70 2.02 -1.95 0.33 112.91 118.11 2qck h THR 11 Ca -0.04 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2qck h THR 11 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2qck h THR 11 CO 0.07 0.02 -0.04 0.15 0.37 0.00 0.00 175.52 176.09 2qck h PHE 12 N 0.10 -0.09 -0.88 3.16 3.57 -1.50 -2.88 116.94 118.42 2qck h PHE 12 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2qck h PHE 12 Cb 0.20 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2qck h PHE 12 CO -0.23 -0.06 0.48 0.87 -2.23 0.00 0.00 178.31 177.14 2qck h LYS 13 N -0.07 1.23 -1.02 1.11 6.56 -0.86 -2.63 116.57 120.89 2qck h LYS 13 Ca 0.01 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2qck h LYS 13 Cb 0.08 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.50 2qck h LYS 13 CO -0.03 0.90 0.00 -1.91 -2.06 0.00 0.00 179.45 176.35 2qck n GLU 14 N -4.33 0.06 0.00 3.15 4.07 0.11 -1.54 120.64 122.17 2qck n GLU 14 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2qck n GLU 14 Cb 0.10 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2qck n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2qck n PHE 16 N 0.72 0.00 -0.00 4.31 3.72 -0.99 -1.80 117.46 123.42 2qck n PHE 16 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2qck n PHE 16 Cb 0.02 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 38.92 2qck n PHE 16 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2qck h ARG 17 N 0.00 0.54 -0.02 -1.08 2.43 -1.55 -3.02 114.38 111.68 2qck h ARG 17 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qck h ARG 17 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2qck h ARG 17 CO 0.00 0.46 0.00 0.54 -1.51 0.00 0.00 179.97 179.46 2qck n ARG 18 N -4.38 1.50 -3.72 0.20 1.74 -0.75 -3.33 116.66 107.93 2qck n ARG 18 Ca 0.02 -0.73 -0.37 0.00 -0.77 0.00 0.00 57.85 56.00 2qck n ARG 18 Cb 0.15 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 29.99 2qck n ARG 18 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2qck s HIS 19 N -1.99 3.14 0.77 -1.55 2.46 -1.14 -5.04 115.29 111.94 2qck s HIS 19 Ca 0.40 -0.65 -0.12 0.00 0.47 0.00 0.00 55.06 55.16 2qck s HIS 19 Cb 0.21 -2.29 0.05 0.00 -0.13 0.00 0.00 32.58 30.43 2qck s HIS 19 CO 0.34 -0.46 1.14 0.00 -2.47 0.00 0.00 174.74 173.28 2qck s ALA 20 N 1.58 2.71 -0.01 1.58 0.00 -1.26 -4.78 121.76 121.59 2qck s ALA 20 Ca 0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 2qck s ALA 20 Cb -0.16 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.01 2qck s ALA 20 CO 0.04 -1.47 0.55 0.00 0.00 0.00 0.00 175.76 174.88 2qck s ALA 21 N -3.46 -1.41 0.67 0.00 0.00 -0.76 -5.00 121.76 111.79 2qck s ALA 21 Ca 0.60 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2qck s ALA 21 Cb -0.11 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2qck s ALA 21 CO 0.50 -0.40 1.06 0.20 0.00 0.00 0.00 175.76 177.13 2qck s GLY 22 N -1.50 1.65 -0.15 0.00 0.00 -1.26 -0.25 107.32 105.80 2qck s GLY 22 Ca -0.09 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.44 2qck s GLY 22 CO 0.05 0.13 -0.17 0.14 0.00 0.00 0.00 173.10 173.24 2qck s VAL 23 N -3.25 2.50 0.33 1.40 1.01 -0.65 -4.43 120.40 117.32 2qck s VAL 23 Ca 0.57 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2qck s VAL 23 Cb -0.11 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2qck s VAL 23 CO 0.53 0.52 -0.00 0.00 0.00 0.00 0.00 175.10 176.15 2qck s ALA 24 N 0.83 2.60 -0.05 5.51 0.00 -0.65 -3.21 121.76 126.78 2qck s ALA 24 Ca -0.05 -2.07 0.04 0.00 0.00 0.00 0.00 51.96 49.87 2qck s ALA 24 Cb -0.15 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2qck s ALA 24 CO -0.01 -0.16 -0.16 0.42 0.00 0.00 0.00 175.76 175.85 2qck s ILE 25 N -3.01 1.41 -0.13 0.00 1.01 -0.16 -1.01 121.20 119.31 2qck s ILE 25 Ca 0.34 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 2qck s ILE 25 Cb 0.07 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2qck s ILE 25 CO 0.15 0.41 0.09 -0.63 0.00 0.00 0.00 174.94 174.96 2qck s ILE 26 N 0.23 5.09 0.05 2.92 -1.09 -0.21 0.02 121.20 128.21 2qck s ILE 26 Ca -0.08 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.46 2qck s ILE 26 Cb -0.13 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2qck s ILE 26 CO 0.03 0.57 -0.18 0.42 -1.23 0.00 0.00 174.94 174.55 2qck s THR 27 N -0.59 1.48 -0.06 2.92 -4.23 -0.27 -0.44 115.64 114.46 2qck s THR 27 Ca 0.12 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 2qck s THR 27 Cb -0.12 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.43 2qck s THR 27 CO 0.02 0.09 0.27 0.54 -0.54 0.00 0.00 174.62 175.00 2qck s VAL 28 N -0.88 0.03 -0.45 2.29 0.11 0.13 -1.42 120.40 120.21 2qck s VAL 28 Ca 0.05 -0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2qck s VAL 28 Cb -0.09 -0.49 0.10 0.00 -1.53 0.00 0.00 36.38 34.38 2qck s VAL 28 CO 0.02 -0.16 0.31 0.21 -3.33 0.00 0.00 175.10 172.15 2qck s ASN 29 N -0.64 5.68 -0.73 3.54 3.84 -1.26 0.45 114.94 125.81 2qck s ASN 29 Ca -0.07 -1.74 -0.19 0.00 0.21 0.00 0.00 52.86 51.07 2qck s ASN 29 Cb -0.04 -2.00 0.12 0.00 -0.55 0.00 0.00 41.25 38.77 2qck s ASN 29 CO 0.02 -0.63 0.89 -0.47 -2.79 0.00 0.00 177.10 174.13 2qck s TYR 30 N 1.39 3.04 -1.51 0.43 5.04 -0.37 -4.46 117.35 120.91 2qck s TYR 30 Ca 0.05 -1.11 -0.06 0.00 -2.44 0.00 0.00 57.07 53.50 2qck s TYR 30 Cb -0.25 -4.14 0.05 0.00 0.35 0.00 0.00 41.96 37.98 2qck s TYR 30 CO 0.00 -1.40 0.56 0.09 -1.34 0.00 0.00 175.55 173.46 2qck n ASN 31 N 6.45 -1.47 0.00 4.32 4.13 -1.26 -2.05 115.26 125.38 2qck n ASN 31 Ca 0.04 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.30 2qck n ASN 31 Cb 0.46 -3.00 0.00 0.00 -1.54 0.00 0.00 39.78 35.70 2qck n ASN 31 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qck n GLY 32 N -1.80 2.92 3.48 7.41 0.00 -1.26 -5.06 105.19 110.86 2qck n GLY 32 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2qck n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qck s THR 33 N -2.66 3.83 0.21 2.61 2.01 -0.87 -5.09 115.64 115.68 2qck s THR 33 Ca 0.00 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2qck s THR 33 Cb 0.00 -2.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 2qck s THR 33 CO 0.00 0.49 1.07 -2.16 -0.69 0.00 0.00 174.62 173.32 2qck s PRO 34 N 0.47 4.65 0.14 4.92 0.04 -1.26 -1.24 135.00 142.72 2qck s PRO 34 Ca -0.04 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.76 2qck s PRO 34 Cb -0.14 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2qck s PRO 34 CO 0.03 0.19 -0.15 0.71 0.04 0.00 0.00 177.00 177.82 2qck s TYR 35 N -0.65 1.52 -0.08 0.56 1.51 0.17 -4.94 117.35 115.44 2qck s TYR 35 Ca 0.46 -0.54 -0.32 0.00 -1.01 0.00 0.00 57.07 55.67 2qck s TYR 35 Cb -0.29 -0.78 0.12 0.00 -0.11 0.00 0.00 41.96 40.90 2qck s TYR 35 CO 0.36 0.20 1.11 0.20 -1.11 0.00 0.00 175.55 176.31 2qck s GLY 36 N -2.58 -0.35 -0.11 0.71 0.00 -1.26 0.17 107.32 103.89 2qck s GLY 36 Ca 0.12 1.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.71 2qck s GLY 36 CO 0.04 0.37 0.68 -0.11 0.00 0.00 0.00 173.10 174.07 2qck s PHE 37 N -2.70 -0.68 0.43 1.90 -0.71 0.41 -4.96 117.98 111.67 2qck s PHE 37 Ca 0.09 1.33 -0.24 0.00 -1.04 0.00 0.00 56.93 57.07 2qck s PHE 37 Cb -0.00 0.36 -0.08 0.00 -1.21 0.00 0.00 43.02 42.09 2qck s PHE 37 CO -0.05 -0.54 1.12 0.99 -1.34 0.00 0.00 175.22 175.41 2qck s THR 38 N -0.74 3.35 -0.09 -4.49 2.01 -0.19 -1.04 115.64 114.45 2qck s THR 38 Ca -0.08 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.89 2qck s THR 38 Cb -0.02 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2qck s THR 38 CO 0.07 0.01 0.22 0.00 -0.69 0.00 0.00 174.62 174.23 2qck s ALA 39 N -1.57 -0.52 -1.35 7.40 0.00 -0.18 -4.90 121.76 120.65 2qck s ALA 39 Ca 0.60 0.70 0.14 0.00 0.00 0.00 0.00 51.96 53.40 2qck s ALA 39 Cb -0.26 -0.42 0.33 0.00 0.00 0.00 0.00 23.12 22.76 2qck s ALA 39 CO 0.33 -0.13 1.24 0.25 0.00 0.00 0.00 175.76 177.45 2qck n THR 40 N 3.32 0.76 -0.01 0.00 -2.24 -1.26 -1.64 114.28 113.21 2qck n THR 40 Ca -0.16 -0.88 0.07 0.00 -2.27 0.00 0.00 64.05 60.80 2qck n THR 40 Cb 0.57 0.69 0.15 0.00 -2.10 0.00 0.00 70.33 69.64 2qck n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qck n SER 41 N 0.82 2.84 -4.73 3.42 3.41 -1.26 -4.61 113.62 113.51 2qck n SER 41 Ca 0.13 -1.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 2qck n SER 41 Cb 0.45 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2qck n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qck s VAL 42 N -1.02 3.15 -0.06 -3.33 1.01 -1.26 -4.35 120.40 114.54 2qck s VAL 42 Ca 0.24 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 2qck s VAL 42 Cb 0.13 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2qck s VAL 42 CO 0.18 0.11 0.22 0.00 0.00 0.00 0.00 175.10 175.61 2qck s ALA 43 N 0.51 -0.55 0.32 5.51 0.00 -0.36 -4.99 121.76 122.21 2qck s ALA 43 Ca 0.60 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 2qck s ALA 43 Cb -0.38 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.39 2qck s ALA 43 CO 0.35 -0.14 1.57 0.45 0.00 0.00 0.00 175.76 177.99 2qck s SER 44 N -0.30 6.35 -0.13 0.00 0.15 -1.26 -0.83 113.70 117.67 2qck s SER 44 Ca -0.04 2.99 -0.07 0.00 0.70 0.00 0.00 55.95 59.53 2qck s SER 44 Cb -0.03 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 2qck s SER 44 CO 0.01 -0.91 -0.18 -0.11 1.20 0.00 0.00 173.24 173.24 2qck n LEU 45 N 1.69 1.03 -3.81 3.45 7.94 0.20 -4.82 117.00 122.69 2qck n LEU 45 Ca 0.06 0.18 -0.10 0.00 -1.11 0.00 0.00 56.01 55.04 2qck n LEU 45 Cb 0.38 -0.42 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 2qck n LEU 45 CO 0.64 0.22 0.05 -0.94 -1.11 0.00 0.00 177.39 176.25 2qck s SER 46 N -6.24 -0.05 -0.23 1.96 1.04 -1.04 -4.94 113.70 104.19 2qck s SER 46 Ca -0.19 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.64 2qck s SER 46 Cb 0.07 0.44 -0.19 0.00 0.10 0.00 0.00 66.02 66.44 2qck s SER 46 CO 0.24 -0.86 -0.12 0.00 0.98 0.00 0.00 173.24 173.48 2qck n ALA 47 N -0.19 1.35 -3.75 5.32 0.00 -1.26 -1.59 120.51 120.38 2qck n ALA 47 Ca -0.12 -1.03 -0.28 0.00 0.00 0.00 0.00 53.44 52.01 2qck n ALA 47 Cb 0.63 -0.20 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 2qck n ALA 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qck s GLN 48 N -2.53 0.72 0.88 0.00 -0.21 -1.26 -1.96 119.66 115.31 2qck s GLN 48 Ca -0.32 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 54.46 2qck s GLN 48 Cb 0.09 -2.14 0.12 0.00 1.00 0.00 0.00 33.01 32.08 2qck s GLN 48 CO 0.64 -0.65 1.10 -1.25 -2.12 0.00 0.00 175.29 173.01 2qck s PRO 49 N 1.82 1.32 0.00 2.91 0.04 -1.26 -5.05 135.00 134.78 2qck s PRO 49 Ca -0.01 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 2qck s PRO 49 Cb -0.17 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2qck s PRO 49 CO -0.09 -2.30 1.35 -1.25 0.04 0.00 0.00 177.00 174.76 2qck s PRO 50 N -4.79 4.31 0.03 0.56 0.04 -0.83 -4.57 135.00 129.75 2qck s PRO 50 Ca 0.64 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 2qck s PRO 50 Cb -0.20 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2qck s PRO 50 CO 0.58 -0.52 -0.03 1.03 0.04 0.00 0.00 177.00 178.09 2qck s ARG 51 N 2.17 0.40 0.15 4.56 0.52 -0.62 -0.86 118.95 125.27 2qck s ARG 51 Ca 0.62 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 2qck s ARG 51 Cb -0.31 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 2qck s ARG 51 CO 0.26 -0.07 0.01 -0.59 0.02 0.00 0.00 175.30 174.93 2qck s PHE 52 N -2.24 1.05 0.12 -0.53 -0.71 -0.70 -0.62 117.98 114.35 2qck s PHE 52 Ca -0.09 -1.07 0.07 0.00 -1.04 0.00 0.00 56.93 54.80 2qck s PHE 52 Cb -0.04 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 2qck s PHE 52 CO -0.04 -0.29 -0.16 0.95 -1.34 0.00 0.00 175.22 174.33 2qck s THR 53 N -3.77 1.49 0.19 -4.49 -4.23 -0.01 -1.32 115.64 103.49 2qck s THR 53 Ca 0.22 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2qck s THR 53 Cb 0.06 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2qck s THR 53 CO 0.02 -0.29 0.32 0.72 -0.54 0.00 0.00 174.62 174.84 2qck s PHE 54 N -1.80 0.47 0.45 3.99 -0.71 -0.67 -1.22 117.98 118.50 2qck s PHE 54 Ca 0.08 -0.81 0.06 0.00 -1.04 0.00 0.00 56.93 55.22 2qck s PHE 54 Cb -0.07 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 2qck s PHE 54 CO 0.04 -0.78 0.20 -0.80 -1.34 0.00 0.00 175.22 172.54 2qck s ASN 55 N -3.00 4.43 -0.05 1.98 0.01 -1.26 -0.21 114.94 116.83 2qck s ASN 55 Ca 0.21 -1.20 0.05 0.00 -0.71 0.00 0.00 52.86 51.21 2qck s ASN 55 Cb 0.03 -0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.51 2qck s ASN 55 CO 0.04 -0.71 -0.19 0.00 -1.51 0.00 0.00 177.10 174.73 2qck s ALA 57 N -2.68 2.43 -1.05 0.60 0.00 -1.26 -4.85 121.76 114.95 2qck s ALA 57 Ca 0.35 -1.03 0.17 0.00 0.00 0.00 0.00 51.96 51.45 2qck s ALA 57 Cb 0.02 -0.81 0.76 0.00 0.00 0.00 0.00 23.12 23.09 2qck s ALA 57 CO 0.19 0.51 1.56 0.54 0.00 0.00 0.00 175.76 178.56 2qck n ARG 58 N 2.52 0.03 0.00 0.00 1.74 0.12 -1.30 116.66 119.77 2qck n ARG 58 Ca -0.17 0.19 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2qck n ARG 58 Cb 0.52 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.77 2qck n ARG 58 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qck n SER 59 N -1.47 1.92 -4.67 0.55 3.41 -1.26 -4.74 113.62 107.36 2qck n SER 59 Ca 0.05 -1.55 -0.40 0.00 -0.26 0.00 0.00 58.87 56.71 2qck n SER 59 Cb 0.20 0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2qck n SER 59 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qck n SER 60 N 0.36 1.97 0.21 4.04 2.88 -0.42 -4.84 113.62 117.82 2qck n SER 60 Ca 0.15 1.02 0.14 0.00 -1.33 0.00 0.00 58.87 58.86 2qck n SER 60 Cb 0.44 -1.46 0.75 0.00 -0.75 0.00 0.00 64.21 63.19 2qck n SER 60 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2qck h SER 61 N 1.60 0.00 -0.24 -3.46 4.64 -1.91 -1.65 113.55 112.53 2qck h SER 61 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qck h SER 61 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2qck h SER 61 CO 0.57 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.33 2qck n SER 62 N -2.50 3.29 -0.09 4.97 7.64 -1.26 -4.59 113.62 121.07 2qck n SER 62 Ca -0.01 -2.00 -0.10 0.00 1.01 0.00 0.00 58.87 57.76 2qck n SER 62 Cb 0.08 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2qck n SER 62 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2qck h TRP 63 N 4.60 0.44 -0.62 1.43 2.91 -1.56 -2.06 115.95 121.08 2qck h TRP 63 Ca 0.00 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.00 2qck h TRP 63 Cb 1.00 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.49 2qck h TRP 63 CO 0.15 0.48 0.41 -1.35 -1.03 0.00 0.00 178.44 177.09 2qck h PRO 64 N 0.27 0.74 -0.42 2.65 0.11 -1.81 0.41 132.00 133.96 2qck h PRO 64 Ca 0.09 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 2qck h PRO 64 Cb 0.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2qck h PRO 64 CO -0.00 0.49 0.20 0.00 -0.21 0.00 0.00 178.00 178.48 2qck h ALA 65 N 1.63 0.54 -0.29 -0.75 0.00 -1.78 -2.06 119.26 116.55 2qck h ALA 65 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2qck h ALA 65 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qck h ALA 65 CO -0.06 0.11 -0.18 0.82 0.00 0.00 0.00 179.25 179.93 2qck h ILE 66 N 0.54 1.30 -0.74 0.00 1.08 -0.57 -0.86 117.51 118.26 2qck h ILE 66 Ca 0.14 -1.30 0.09 0.00 -0.39 0.00 0.00 64.86 63.40 2qck h ILE 66 Cb 0.12 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 2qck h ILE 66 CO -0.02 0.42 0.48 0.00 -0.69 0.00 0.00 178.15 178.34 2qck h ALA 67 N 0.74 1.81 -0.18 1.87 0.00 -0.17 -3.28 119.26 120.04 2qck h ALA 67 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qck h ALA 67 Cb 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qck h ALA 67 CO 0.05 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2qck n ASN 68 N -4.49 2.63 -4.24 0.00 5.03 -0.78 -5.00 115.26 108.41 2qck n ASN 68 Ca 0.12 -2.19 -0.20 0.00 0.87 0.00 0.00 54.58 53.18 2qck n ASN 68 Cb 0.32 -0.19 -0.12 0.00 -1.02 0.00 0.00 39.78 38.77 2qck n ASN 68 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qck s THR 69 N -1.34 1.39 -0.26 3.41 2.01 -0.34 -5.01 115.64 115.50 2qck s THR 69 Ca 0.17 -1.56 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 2qck s THR 69 Cb 0.11 -1.42 -0.15 0.00 0.01 0.00 0.00 72.50 71.05 2qck s THR 69 CO 0.08 -0.27 -0.22 0.41 -0.69 0.00 0.00 174.62 173.94 2qck n THR 70 N 0.87 1.53 -3.26 -0.82 -1.04 -1.26 -4.81 114.28 105.50 2qck n THR 70 Ca -0.18 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.05 61.02 2qck n THR 70 Cb 0.55 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 2qck n THR 70 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2qck s HIS 71 N -2.50 3.68 0.11 -1.42 3.76 -1.26 -0.19 115.29 117.46 2qck s HIS 71 Ca -0.36 1.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.70 2qck s HIS 71 Cb 0.12 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 2qck s HIS 71 CO 0.55 0.38 -0.03 0.96 -0.85 0.00 0.00 174.74 175.75 2qck s ILE 72 N -0.27 0.50 0.04 0.60 -4.36 -0.53 -4.51 121.20 112.68 2qck s ILE 72 Ca 0.29 -1.91 0.06 0.00 -0.26 0.00 0.00 60.65 58.83 2qck s ILE 72 Cb -0.18 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 2qck s ILE 72 CO 0.16 -0.77 -0.13 -0.83 0.24 0.00 0.00 174.94 173.60 2qck s GLY 73 N -3.04 1.66 -0.04 6.27 0.00 -0.51 -1.16 107.32 110.49 2qck s GLY 73 Ca 0.15 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.79 2qck s GLY 73 CO -0.03 -1.04 -0.25 0.54 0.00 0.00 0.00 173.10 172.31 2qck s VAL 74 N -0.99 2.03 0.00 1.40 0.11 0.08 -1.11 120.40 121.92 2qck s VAL 74 Ca 0.16 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 2qck s VAL 74 Cb -0.11 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2qck s VAL 74 CO 0.07 0.57 0.00 1.41 -3.33 0.00 0.00 175.10 173.82 2qck n HIS 75 N 2.75 0.00 -3.61 1.54 8.25 0.10 -1.19 115.22 123.06 2qck n HIS 75 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 2qck n HIS 75 Cb 0.52 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 2qck n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qck s LEU 77 N 0.00 -0.51 0.00 2.41 1.43 -1.20 -0.99 118.68 119.82 2qck s LEU 77 Ca 0.00 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2qck s LEU 77 Cb 0.00 2.06 0.04 0.00 0.03 0.00 0.00 46.19 48.33 2qck s LEU 77 CO 0.00 -0.26 0.37 0.61 0.23 0.00 0.00 176.35 177.30 2qck n GLY 78 N 1.85 2.53 0.30 -3.19 0.00 -1.26 -1.90 105.19 103.52 2qck n GLY 78 Ca -0.13 -2.24 0.06 0.00 0.00 0.00 0.00 46.02 43.72 2qck n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qck h LEU 79 N 0.00 0.32 0.00 0.99 3.38 -1.41 0.97 115.31 119.56 2qck h LEU 79 Ca -0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2qck h LEU 79 Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2qck h LEU 79 CO 0.33 0.23 0.00 0.47 0.09 0.00 0.00 178.44 179.56 2qck n ASP 80 N -4.49 0.00 -1.64 -0.43 8.00 -1.26 -2.75 116.55 113.98 2qck n ASP 80 Ca 0.02 0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.68 2qck n ASP 80 Cb 0.11 -0.31 0.37 0.00 -0.02 0.00 0.00 41.12 41.27 2qck n ASP 80 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qck n ASN 81 N -1.31 5.17 -0.14 -2.24 5.03 0.34 -4.60 115.26 117.50 2qck n ASN 81 Ca 0.08 -2.81 -0.03 0.00 0.87 0.00 0.00 54.58 52.69 2qck n ASN 81 Cb 0.15 -0.63 0.05 0.00 -1.02 0.00 0.00 39.78 38.33 2qck n ASN 81 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2qck h GLN 82 N 3.63 0.10 -0.26 3.52 4.20 -1.63 -1.39 115.11 123.29 2qck h GLN 82 Ca 0.00 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2qck h GLN 82 Cb 1.75 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 2qck h GLN 82 CO 0.38 0.07 -0.20 1.49 -0.67 0.00 0.00 178.83 179.89 2qck h GLU 83 N 0.10 0.46 -0.13 1.46 4.81 -1.87 -1.48 114.58 117.92 2qck h GLU 83 Ca 0.23 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2qck h GLU 83 Cb 0.34 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.69 2qck h GLU 83 CO -0.39 0.65 -0.48 1.25 -0.73 0.00 0.00 179.01 179.31 2qck h LEU 84 N 0.42 0.65 -0.46 1.64 5.85 -1.75 -1.55 115.31 120.11 2qck h LEU 84 Ca 0.07 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.27 2qck h LEU 84 Cb 0.59 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2qck h LEU 84 CO 0.04 1.15 -0.08 0.00 -0.34 0.00 0.00 178.44 179.21 2qck h ALA 85 N 0.52 0.35 -0.48 1.25 0.00 -0.96 -1.24 119.26 118.70 2qck h ALA 85 Ca -0.02 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2qck h ALA 85 Cb 1.11 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2qck h ALA 85 CO 0.10 -0.43 0.07 0.22 0.00 0.00 0.00 179.25 179.21 2qck h ASP 86 N 0.03 0.77 -0.65 0.00 3.58 -1.19 -2.70 116.42 116.27 2qck h ASP 86 Ca 0.23 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2qck h ASP 86 Cb 0.34 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2qck h ASP 86 CO -0.45 0.85 0.42 -0.09 -2.88 0.00 0.00 179.24 177.09 2qck h ARG 87 N 0.67 0.86 -0.07 0.28 2.43 -0.99 -2.27 114.38 115.29 2qck h ARG 87 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2qck h ARG 87 Cb 0.41 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2qck h ARG 87 CO 0.01 0.58 0.00 1.19 -1.51 0.00 0.00 179.97 180.24 2qck n PHE 88 N -4.43 0.08 0.29 2.20 3.01 -0.49 -3.23 117.46 114.89 2qck n PHE 88 Ca 0.07 -0.04 0.07 0.00 1.01 0.00 0.00 57.45 58.55 2qck n PHE 88 Cb 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.42 2qck n PHE 88 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qck n ALA 89 N -0.23 3.08 -2.18 4.37 0.00 -0.88 -1.02 120.51 123.65 2qck n ALA 89 Ca 0.17 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 2qck n ALA 89 Cb 0.22 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 2qck n ALA 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qck s ARG 90 N -2.64 2.55 0.00 0.00 0.52 -1.03 -5.01 118.95 113.35 2qck s ARG 90 Ca -0.00 -1.53 0.28 0.00 -0.52 0.00 0.00 55.73 53.96 2qck s ARG 90 Cb 0.09 -2.45 1.13 0.00 0.52 0.00 0.00 34.95 34.24 2qck s ARG 90 CO 0.56 -0.30 1.80 0.25 0.02 0.00 0.00 175.30 177.64 2qck n THR 91 N -1.68 0.00 -1.26 0.02 -2.24 -1.26 -4.90 114.28 102.95 2qck n THR 91 Ca 0.05 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2qck n THR 91 Cb 0.61 0.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.01 2qck n THR 91 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qck s LYS 92 N -2.47 0.92 -0.18 -0.78 2.20 -1.26 -4.87 119.74 113.31 2qck s LYS 92 Ca 0.28 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 2qck s LYS 92 Cb 0.20 -1.79 -0.05 0.00 -1.51 0.00 0.00 37.83 34.68 2qck s LYS 92 CO 0.48 -2.41 2.05 1.21 -0.36 0.00 0.00 175.35 176.32 2qck s ASN 93 N -3.56 5.82 0.49 1.43 3.84 -1.26 -4.84 114.94 116.85 2qck s ASN 93 Ca 0.64 1.96 0.28 0.00 0.21 0.00 0.00 52.86 55.95 2qck s ASN 93 Cb -0.17 -2.52 0.90 0.00 -0.55 0.00 0.00 41.25 38.91 2qck s ASN 93 CO 0.56 -1.66 1.81 0.03 -2.79 0.00 0.00 177.10 175.05 2qck h ARG 94 N 13.39 0.00 -0.36 0.43 3.08 -1.89 -3.15 114.38 125.88 2qck h ARG 94 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2qck h ARG 94 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2qck h ARG 94 CO 0.97 0.05 0.00 1.19 -1.07 0.00 0.00 179.97 181.11 2qck n PHE 95 N -3.13 0.46 -2.35 3.04 3.72 -1.26 -4.91 117.46 113.03 2qck n PHE 95 Ca 0.02 -0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 56.66 2qck n PHE 95 Cb 0.42 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 2qck n PHE 95 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2qck s GLU 96 N -1.14 4.13 0.00 -1.08 2.12 -1.19 -4.81 118.70 116.72 2qck s GLU 96 Ca 0.30 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.27 2qck s GLU 96 Cb 0.17 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2qck s GLU 96 CO 0.23 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 2qck n GLY 97 N 3.90 2.66 2.03 -1.50 0.00 -1.26 -4.91 105.19 106.10 2qck n GLY 97 Ca 0.15 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 2qck n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qck n ASP 98 N 0.00 3.69 -1.30 1.61 5.75 -1.26 -4.64 116.55 120.40 2qck n ASP 98 Ca 0.00 -3.34 0.05 0.00 -0.01 0.00 0.00 54.79 51.49 2qck n ASP 98 Cb 0.00 -0.78 0.25 0.00 -1.03 0.00 0.00 41.12 39.55 2qck n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qck n HIS 99 N -0.84 1.21 -3.59 2.11 1.44 -1.26 -4.91 115.22 109.37 2qck n HIS 99 Ca 0.50 -0.43 -0.10 0.00 -2.01 0.00 0.00 57.72 55.68 2qck n HIS 99 Cb 1.48 -0.31 -0.02 0.00 0.12 0.00 0.00 29.99 31.26 2qck n HIS 99 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 2qck s TRP 100 N -2.00 -0.40 0.17 -1.40 1.48 -1.26 -1.85 118.94 113.68 2qck s TRP 100 Ca 0.34 0.10 -0.18 0.00 -1.06 0.00 0.00 56.10 55.29 2qck s TRP 100 Cb 0.25 0.61 0.04 0.00 -1.16 0.00 0.00 33.47 33.21 2qck s TRP 100 CO 0.12 -0.97 0.51 -1.83 -4.06 0.00 0.00 176.95 170.71 2qck s GLU 101 N -3.77 1.28 0.06 3.25 -1.05 0.37 -4.94 118.70 113.90 2qck s GLU 101 Ca 0.05 -0.74 -0.31 0.00 -0.15 0.00 0.00 54.97 53.83 2qck s GLU 101 Cb -0.03 0.53 -0.06 0.00 -0.44 0.00 0.00 34.13 34.12 2qck s GLU 101 CO -0.05 -0.54 1.33 -0.51 0.95 0.00 0.00 175.26 176.44 2qck s LEU 102 N -2.83 4.35 0.00 1.83 1.43 -1.26 -0.13 118.68 122.07 2qck s LEU 102 Ca 0.06 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2qck s LEU 102 Cb -0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2qck s LEU 102 CO -0.07 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.50 2qck n GLY 103 N 3.46 4.58 3.48 -3.19 0.00 0.20 -4.88 105.19 108.83 2qck n GLY 103 Ca 0.11 -1.96 -0.48 0.00 0.00 0.00 0.00 46.02 43.69 2qck n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qck n PRO 104 N 0.00 0.50 -1.59 1.61 -0.02 -1.26 -0.50 135.00 133.73 2qck n PRO 104 Ca 0.00 0.18 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 2qck n PRO 104 Cb 0.00 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 2qck n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qck n TYR 105 N 0.29 -0.38 -1.67 6.00 4.01 -1.26 -1.57 117.16 122.59 2qck n TYR 105 Ca 0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 2qck n TYR 105 Cb 0.26 -2.95 -0.06 0.00 -0.31 0.00 0.00 39.34 36.28 2qck n TYR 105 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2qck n GLU 106 N -2.17 -1.22 -2.35 -0.72 -0.58 0.34 -4.97 120.64 108.97 2qck n GLU 106 Ca -0.16 1.04 -0.41 0.00 -0.42 0.00 0.00 57.16 57.21 2qck n GLU 106 Cb 0.54 -5.32 -0.03 0.00 -0.57 0.00 0.00 31.44 26.06 2qck n GLU 106 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2qck s VAL 107 N -2.68 3.37 -0.12 2.62 1.01 -0.61 -4.58 120.40 119.41 2qck s VAL 107 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 2qck s VAL 107 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2qck s VAL 107 CO 0.00 0.25 1.29 -2.84 0.00 0.00 0.00 175.10 173.80 2qck s PRO 108 N -0.87 4.26 -0.24 2.72 0.02 -1.26 0.58 135.00 140.21 2qck s PRO 108 Ca 0.50 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 2qck s PRO 108 Cb -0.34 -3.72 -0.03 0.00 0.02 0.00 0.00 34.50 30.43 2qck s PRO 108 CO 0.41 -0.65 0.06 0.42 -0.33 0.00 0.00 177.00 176.91 2qck s ILE 109 N 3.17 4.30 0.01 2.83 -1.09 0.81 -4.73 121.20 126.50 2qck s ILE 109 Ca 0.57 -0.18 -0.26 0.00 -2.23 0.00 0.00 60.65 58.55 2qck s ILE 109 Cb -0.24 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 2qck s ILE 109 CO 0.18 0.36 0.80 -0.76 -1.23 0.00 0.00 174.94 174.29 2qck s LEU 110 N 1.47 4.40 0.60 2.97 1.43 -1.26 -0.48 118.68 127.80 2qck s LEU 110 Ca 0.06 1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 54.42 2qck s LEU 110 Cb -0.15 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2qck s LEU 110 CO 0.03 -0.08 1.10 -0.54 0.23 0.00 0.00 176.35 177.09 2qck s LYS 111 N 0.42 3.15 -1.22 1.70 1.02 -0.77 -4.34 119.74 119.69 2qck s LYS 111 Ca 0.41 1.40 -0.01 0.00 0.02 0.00 0.00 55.97 57.80 2qck s LYS 111 Cb -0.20 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2qck s LYS 111 CO 0.23 -0.97 0.11 -0.25 -0.92 0.00 0.00 175.35 173.54 2qck n ASP 112 N -1.91 -4.56 -5.01 2.83 8.00 -1.26 -4.98 116.55 109.66 2qck n ASP 112 Ca 0.10 -0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 2qck n ASP 112 Cb 0.52 -3.63 0.03 0.00 -0.02 0.00 0.00 41.12 38.02 2qck n ASP 112 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qck s VAL 113 N -2.80 2.45 0.36 2.53 -7.23 -1.26 -4.86 120.40 109.58 2qck s VAL 113 Ca 0.05 -1.05 0.21 0.00 -1.81 0.00 0.00 61.98 59.39 2qck s VAL 113 Cb -0.02 -2.49 0.21 0.00 0.56 0.00 0.00 36.38 34.64 2qck s VAL 113 CO 0.07 0.00 1.95 0.00 -0.31 0.00 0.00 175.10 176.80 2qck h ALA 114 N 0.42 1.30 0.00 1.32 0.00 -1.88 -3.16 119.26 117.26 2qck h ALA 114 Ca -0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qck h ALA 114 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qck h ALA 114 CO 0.44 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2qck n GLY 115 N -0.50 2.04 3.14 0.00 0.00 -1.26 0.74 105.19 109.34 2qck n GLY 115 Ca -0.02 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2qck n GLY 115 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qck s TRP 116 N -2.00 0.79 0.04 1.61 1.48 -0.39 -4.47 118.94 116.00 2qck s TRP 116 Ca 0.00 -1.09 0.05 0.00 -1.06 0.00 0.00 56.10 54.00 2qck s TRP 116 Cb 0.00 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 2qck s TRP 116 CO 0.00 -0.36 -0.13 -0.51 -4.06 0.00 0.00 176.95 171.89 2qck s LEU 117 N -3.02 2.19 -0.10 -4.66 1.43 -0.34 -0.94 118.68 113.24 2qck s LEU 117 Ca 0.16 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2qck s LEU 117 Cb 0.07 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 2qck s LEU 117 CO -0.03 -0.00 -0.08 -0.63 0.23 0.00 0.00 176.35 175.83 2qck s ILE 118 N -0.93 3.58 0.15 -0.59 1.01 0.11 -0.74 121.20 123.80 2qck s ILE 118 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2qck s ILE 118 Cb -0.08 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2qck s ILE 118 CO 0.01 0.56 0.01 -0.83 0.00 0.00 0.00 174.94 174.69 2qck s GLY 119 N -0.29 1.12 -0.22 6.18 0.00 -0.31 0.18 107.32 113.97 2qck s GLY 119 Ca 0.04 -1.54 -0.08 0.00 0.00 0.00 0.00 44.72 43.14 2qck s GLY 119 CO 0.02 -1.48 0.09 0.54 0.00 0.00 0.00 173.10 172.28 2qck s LYS 120 N -3.94 3.86 0.04 2.90 3.01 0.65 -1.45 119.74 124.80 2qck s LYS 120 Ca 0.23 -0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 54.50 2qck s LYS 120 Cb 0.06 -3.34 -0.07 0.00 -1.01 0.00 0.00 37.83 33.47 2qck s LYS 120 CO 0.02 0.02 1.64 0.42 0.51 0.00 0.00 175.35 177.97 2qck s ILE 121 N 1.07 3.22 0.06 2.17 1.01 0.73 -0.80 121.20 128.67 2qck s ILE 121 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2qck s ILE 121 Cb -0.14 -3.37 -0.26 0.00 0.01 0.00 0.00 42.46 38.70 2qck s ILE 121 CO 0.04 -0.01 1.07 1.56 0.00 0.00 0.00 174.94 177.59 2qck h GLN 122 N 8.61 0.18 -5.68 2.79 1.08 -1.37 -3.47 115.11 117.24 2qck h GLN 122 Ca -0.42 -0.30 -0.59 0.00 -1.45 0.00 0.00 58.65 55.90 2qck h GLN 122 Cb 1.20 0.11 -0.30 0.00 -0.05 0.00 0.00 27.48 28.43 2qck h GLN 122 CO 0.93 1.08 -0.85 1.03 -0.95 0.00 0.00 178.83 180.08 2qck s ARG 124 N -2.66 1.75 -0.48 1.46 3.00 -1.26 -5.06 118.95 115.71 2qck s ARG 124 Ca -0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 55.73 54.88 2qck s ARG 124 Cb 0.08 -1.60 0.10 0.00 0.00 0.00 0.00 34.95 33.53 2qck s ARG 124 CO 0.86 0.35 0.38 -1.17 0.00 0.00 0.00 175.30 175.71 2qck s LEU 125 N -0.24 5.69 -0.22 2.53 2.96 0.65 -4.95 118.68 125.10 2qck s LEU 125 Ca 0.02 -1.68 -0.10 0.00 -0.22 0.00 0.00 54.13 52.16 2qck s LEU 125 Cb -0.10 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2qck s LEU 125 CO 0.01 -0.69 0.13 -0.44 -1.32 0.00 0.00 176.35 174.03 2qck s SER 126 N 2.78 5.98 0.00 3.68 0.01 -1.26 -1.46 113.70 123.42 2qck s SER 126 Ca 0.04 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2qck s SER 126 Cb -0.26 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2qck s SER 126 CO 0.02 0.10 0.00 0.49 0.41 0.00 0.00 173.24 174.27 2qck n PHE 127 N 4.03 0.00 -0.04 2.43 3.01 0.47 -5.00 117.46 122.36 2qck n PHE 127 Ca -0.16 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.19 2qck n PHE 127 Cb 0.52 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.93 2qck n PHE 127 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2qck h GLU 128 N 0.00 0.22 0.00 -1.08 3.07 -2.05 -3.37 114.58 111.36 2qck h GLU 128 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2qck h GLU 128 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2qck h GLU 128 CO 0.00 0.42 0.00 0.09 -1.40 0.00 0.00 179.01 178.12 2qck n ASN 129 N -4.81 0.54 -4.05 1.42 3.02 -1.26 -4.92 115.26 105.19 2qck n ASN 129 Ca -0.06 -0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 53.55 2qck n ASN 129 Cb 0.18 0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.40 2qck n ASN 129 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qck s ASN 130 N -0.14 0.33 0.03 6.41 0.01 -1.26 0.13 114.94 120.46 2qck s ASN 130 Ca 0.00 -0.98 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 2qck s ASN 130 Cb 0.00 0.27 -0.02 0.00 0.41 0.00 0.00 41.25 41.91 2qck s ASN 130 CO 0.00 -0.69 -0.07 0.00 -1.51 0.00 0.00 177.10 174.83 2qck s ALA 131 N -3.95 0.53 -0.12 0.60 0.00 -1.26 -0.40 121.76 117.17 2qck s ALA 131 Ca 0.12 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 2qck s ALA 131 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2qck s ALA 131 CO -0.06 -0.00 0.54 0.08 0.00 0.00 0.00 175.76 176.31 2qck s VAL 132 N -1.17 5.14 -0.16 0.00 1.01 -0.54 -4.29 120.40 120.40 2qck s VAL 132 Ca -0.08 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2qck s VAL 132 Cb -0.09 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2qck s VAL 132 CO 0.00 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.61 2qck s VAL 133 N 0.81 3.32 -0.17 2.92 1.01 0.70 -0.25 120.40 128.73 2qck s VAL 133 Ca 0.29 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2qck s VAL 133 Cb -0.16 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2qck s VAL 133 CO 0.12 0.49 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 2qck s VAL 134 N 0.62 3.94 -0.04 2.92 1.01 -1.26 -1.66 120.40 125.92 2qck s VAL 134 Ca -0.05 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2qck s VAL 134 Cb -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2qck s VAL 134 CO 0.03 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.77 2qck s VAL 135 N 0.62 1.12 -0.19 2.92 1.01 -0.44 -0.92 120.40 124.53 2qck s VAL 135 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2qck s VAL 135 Cb -0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2qck s VAL 135 CO 0.02 0.34 0.11 -0.70 0.00 0.00 0.00 175.10 174.87 2qck s GLU 136 N 0.25 4.12 -0.05 2.72 2.12 0.02 -1.73 118.70 126.16 2qck s GLU 136 Ca -0.06 -0.25 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2qck s GLU 136 Cb -0.12 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2qck s GLU 136 CO 0.02 0.30 0.77 0.08 -0.54 0.00 0.00 175.26 175.89 2qck s VAL 137 N 0.33 4.99 -0.09 3.70 1.01 -0.04 -0.25 120.40 130.05 2qck s VAL 137 Ca 0.07 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.67 2qck s VAL 137 Cb -0.11 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2qck s VAL 137 CO -0.01 0.24 0.10 1.33 0.00 0.00 0.00 175.10 176.75 2qck n VAL 138 N 3.76 0.00 -3.46 2.92 0.24 0.13 -4.73 118.33 117.19 2qck n VAL 138 Ca 0.00 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 2qck n VAL 138 Cb 0.51 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 2qck n VAL 138 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2qck s GLU 139 N -1.49 1.19 -0.09 7.34 2.56 -0.96 -4.99 118.70 122.27 2qck s GLU 139 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 54.97 54.21 2qck s GLU 139 Cb 0.02 0.54 0.12 0.00 2.00 0.00 0.00 34.13 36.81 2qck s GLU 139 CO 0.11 -0.52 1.39 0.20 -0.56 0.00 0.00 175.26 175.87 2qck s GLY 140 N -2.70 -0.32 -0.29 -1.50 0.00 -1.26 0.07 107.32 101.33 2qck s GLY 140 Ca 0.02 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 45.05 2qck s GLY 140 CO -0.11 4.25 0.80 1.62 0.00 0.00 0.00 173.10 179.67 2qck s GLN 141 N -2.03 0.54 0.20 2.90 0.74 -0.12 -4.99 119.66 116.91 2qck s GLN 141 Ca 0.26 1.04 -0.30 0.00 0.05 0.00 0.00 55.36 56.41 2qck s GLN 141 Cb 0.03 0.29 -0.08 0.00 1.10 0.00 0.00 33.01 34.35 2qck s GLN 141 CO -0.04 -0.13 1.14 0.08 -0.55 0.00 0.00 175.29 175.78 2qck s VAL 142 N 1.87 3.69 0.00 1.34 1.01 -1.26 -1.26 120.40 125.79 2qck s VAL 142 Ca -0.08 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2qck s VAL 142 Cb -0.06 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2qck s VAL 142 CO -0.18 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2qck n GLY 143 N 1.95 1.86 3.70 4.51 0.00 0.23 -4.85 105.19 112.58 2qck n GLY 143 Ca 0.03 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2qck n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qck s GLU 144 N 3.70 4.42 0.70 1.61 2.02 -1.19 -4.80 118.70 125.15 2qck s GLU 144 Ca 0.00 1.58 -0.15 0.00 0.02 0.00 0.00 54.97 56.42 2qck s GLU 144 Cb 0.00 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.75 2qck s GLU 144 CO 0.00 -0.32 1.17 0.34 0.02 0.00 0.00 175.26 176.48 2qck s ASP 145 N 1.24 4.51 0.00 -0.19 -1.08 -1.26 -4.37 116.67 115.51 2qck s ASP 145 Ca 0.54 2.23 0.00 0.00 -0.52 0.00 0.00 52.55 54.80 2qck s ASP 145 Cb -0.23 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.65 2qck s ASP 145 CO 0.23 -2.04 0.00 0.61 0.52 0.00 0.00 175.17 174.49 2qck n GLY 146 N 0.09 0.86 3.67 2.66 0.00 -1.26 -5.09 105.19 106.13 2qck n GLY 146 Ca 0.12 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2qck n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qck s THR 147 N -2.06 5.11 0.57 2.61 2.01 -1.26 -5.02 115.64 117.60 2qck s THR 147 Ca 0.00 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.88 2qck s THR 147 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2qck s THR 147 CO 0.00 0.43 1.32 -2.65 -0.69 0.00 0.00 174.62 173.03 2qck n PRO 148 N 3.68 1.50 -3.18 4.92 -0.02 -1.26 -1.25 135.00 139.39 2qck n PRO 148 Ca -0.16 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 2qck n PRO 148 Cb 0.52 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 2qck n PRO 148 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qck s LEU 149 N -3.56 4.39 0.27 2.45 2.96 -0.80 -4.32 118.68 120.06 2qck s LEU 149 Ca 0.75 1.14 0.11 0.00 -0.22 0.00 0.00 54.13 55.91 2qck s LEU 149 Cb -0.41 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2qck s LEU 149 CO 0.47 0.05 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.65 2qck s LEU 150 N 0.08 2.78 -0.03 -0.68 1.43 -0.61 -1.64 118.68 120.00 2qck s LEU 150 Ca 0.32 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2qck s LEU 150 Cb -0.18 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.76 2qck s LEU 150 CO 0.17 0.03 -0.03 -0.47 0.23 0.00 0.00 176.35 176.28 2qck s TYR 151 N -2.41 0.54 -0.19 0.29 5.04 0.65 -1.08 117.35 120.19 2qck s TYR 151 Ca 0.30 -0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.68 2qck s TYR 151 Cb -0.06 -0.49 0.06 0.00 0.35 0.00 0.00 41.96 41.82 2qck s TYR 151 CO 0.16 -0.12 0.49 -1.58 -1.34 0.00 0.00 175.55 173.16 2qck s HIS 152 N 0.65 -0.65 -1.06 4.97 5.65 -0.15 -1.84 115.29 122.87 2qck s HIS 152 Ca -0.08 1.44 -0.10 0.00 0.25 0.00 0.00 55.06 56.57 2qck s HIS 152 Cb -0.11 0.29 0.01 0.00 -1.18 0.00 0.00 32.58 31.59 2qck s HIS 152 CO -0.00 -0.34 0.19 0.45 -0.65 0.00 0.00 174.74 174.39 2qck n SER 153 N 3.64 -0.68 -0.06 9.88 2.88 -1.21 -0.06 113.62 128.01 2qck n SER 153 Ca -0.19 -0.96 -0.01 0.00 -1.33 0.00 0.00 58.87 56.38 2qck n SER 153 Cb 0.56 -1.18 -0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2qck n SER 153 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qck n GLY 154 N -2.04 0.47 3.02 0.46 0.00 -1.26 -5.02 105.19 100.81 2qck n GLY 154 Ca -0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 2qck n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qck s ALA 155 N -1.89 0.57 0.11 4.61 0.00 0.91 -5.12 121.76 120.95 2qck s ALA 155 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 2qck s ALA 155 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2qck s ALA 155 CO 0.00 0.06 1.13 0.71 0.00 0.00 0.00 175.76 177.67 2qck s TYR 156 N -0.73 3.53 0.26 0.00 2.02 -1.26 -0.98 117.35 120.19 2qck s TYR 156 Ca -0.03 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.17 2qck s TYR 156 Cb -0.06 -3.32 -0.05 0.00 -0.40 0.00 0.00 41.96 38.12 2qck s TYR 156 CO 0.00 -0.84 0.08 -1.12 -1.57 0.00 0.00 175.55 172.09 2qck s SER 157 N 0.49 1.48 0.08 2.29 0.01 -0.24 -4.97 113.70 112.84 2qck s SER 157 Ca 0.54 -1.36 0.08 0.00 1.31 0.00 0.00 55.95 56.52 2qck s SER 157 Cb -0.29 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 2qck s SER 157 CO 0.32 -0.68 -0.22 0.00 0.41 0.00 0.00 173.24 173.07 2qck s GLN 158 N -3.98 1.29 0.05 12.44 -2.07 -1.26 -1.58 119.66 124.54 2qck s GLN 158 Ca 0.36 -1.10 -0.25 0.00 -1.82 0.00 0.00 55.36 52.55 2qck s GLN 158 Cb 0.08 -1.52 -0.06 0.00 -1.09 0.00 0.00 33.01 30.43 2qck s GLN 158 CO 0.13 0.37 0.77 -1.25 -1.32 0.00 0.00 175.29 173.99 2qck s PRO 159 N -1.62 4.51 -0.17 9.60 0.04 -1.26 -4.99 135.00 141.11 2qck s PRO 159 Ca 0.08 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.22 2qck s PRO 159 Cb -0.10 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.10 2qck s PRO 159 CO 0.03 0.29 -0.19 0.08 0.04 0.00 0.00 177.00 177.25 2qck s VAL 160 N -0.10 2.19 0.74 -0.36 1.01 -1.26 -5.01 120.40 117.61 2qck s VAL 160 Ca 0.39 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2qck s VAL 160 Cb -0.21 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2qck s VAL 160 CO 0.23 0.53 1.20 -2.16 0.00 0.00 0.00 175.10 174.91 2qck s PRO 161 N 1.12 2.08 0.42 2.72 0.04 -1.26 -4.96 135.00 135.16 2qck s PRO 161 Ca 0.01 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2qck s PRO 161 Cb -0.14 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 2qck s PRO 161 CO -0.08 -1.88 0.96 -0.51 0.04 0.00 0.00 177.00 175.54 2qck s LEU 162 N -5.25 3.99 0.36 -3.56 1.43 -1.26 -4.98 118.68 109.42 2qck s LEU 162 Ca 0.74 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 55.31 2qck s LEU 162 Cb -0.29 -4.46 -0.12 0.00 0.03 0.00 0.00 46.19 41.36 2qck s LEU 162 CO 0.46 -0.38 1.32 0.47 0.23 0.00 0.00 176.35 178.45 2qck n ASP 163 N -0.50 2.87 -3.76 2.29 8.00 -1.26 -4.99 116.55 119.20 2qck n ASP 163 Ca 0.07 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.63 2qck n ASP 163 Cb 0.53 -1.51 -0.14 0.00 -0.02 0.00 0.00 41.12 39.99 2qck n ASP 163 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2qck s TYR 164 N -1.12 -0.20 0.11 1.24 5.04 -1.26 -5.03 117.35 116.13 2qck s TYR 164 Ca 0.56 0.52 0.25 0.00 -2.44 0.00 0.00 57.07 55.96 2qck s TYR 164 Cb -0.54 -0.02 0.95 0.00 0.35 0.00 0.00 41.96 42.70 2qck s TYR 164 CO 0.62 -0.15 1.83 1.49 -1.34 0.00 0.00 175.55 178.00 2qck h GLU 165 N 6.85 0.00 0.00 4.97 4.57 -2.07 -3.56 114.58 125.34 2qck h GLU 165 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2qck h GLU 165 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2qck h GLU 165 CO 0.41 0.19 0.00 -0.89 -1.18 0.00 0.00 179.01 177.54