#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtp s ILE 4 N 0.00 4.82 0.02 0.58 1.01 -1.26 -2.57 121.20 123.81 2qtp s ILE 4 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 2qtp s ILE 4 Cb 0.00 -4.17 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 2qtp s ILE 4 CO 0.00 -0.48 1.11 -0.09 0.00 0.00 0.00 174.94 175.48 2qtp h ARG 5 N 8.69 0.50 -3.40 2.79 2.43 -1.15 -3.48 114.38 120.76 2qtp h ARG 5 Ca -0.26 -0.56 -0.16 0.00 -0.81 0.00 0.00 59.98 58.19 2qtp h ARG 5 Cb 1.10 0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 30.58 2qtp h ARG 5 CO 0.88 1.20 -0.50 0.15 -1.51 0.00 0.00 179.97 180.19 2qtp s LYS 6 N -3.17 0.34 -0.02 0.20 1.02 -1.24 -5.02 119.74 111.86 2qtp s LYS 6 Ca -0.12 -0.06 0.06 0.00 0.02 0.00 0.00 55.97 55.86 2qtp s LYS 6 Cb 0.04 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 2qtp s LYS 6 CO 0.86 -0.07 -0.18 0.42 -0.92 0.00 0.00 175.35 175.46 2qtp s ILE 7 N -0.61 1.45 0.00 2.17 1.01 -1.26 -1.16 121.20 122.81 2qtp s ILE 7 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2qtp s ILE 7 Cb -0.04 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 2qtp s ILE 7 CO 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 174.94 175.33 2qtp s ALA 8 N -0.39 0.23 -0.06 9.38 0.00 0.27 -4.98 121.76 126.21 2qtp s ALA 8 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2qtp s ALA 8 Cb -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2qtp s ALA 8 CO -0.00 0.02 -0.15 0.08 0.00 0.00 0.00 175.76 175.71 2qtp s VAL 9 N -0.33 1.34 -0.11 0.00 1.01 -1.26 -0.20 120.40 120.84 2qtp s VAL 9 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2qtp s VAL 9 Cb -0.03 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2qtp s VAL 9 CO -0.00 0.40 -0.19 -0.36 0.00 0.00 0.00 175.10 174.94 2qtp s PHE 10 N 0.45 2.25 0.02 5.22 0.40 -0.14 -5.00 117.98 121.18 2qtp s PHE 10 Ca -0.12 -1.01 0.07 0.00 -0.60 0.00 0.00 56.93 55.27 2qtp s PHE 10 Cb -0.15 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 2qtp s PHE 10 CO 0.04 -0.46 -0.22 0.42 0.70 0.00 0.00 175.22 175.70 2qtp s ILE 11 N 0.68 1.76 -0.06 0.64 1.01 -1.26 -1.00 121.20 122.97 2qtp s ILE 11 Ca -0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 2qtp s ILE 11 Cb -0.16 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.84 2qtp s ILE 11 CO 0.03 0.35 -0.02 -0.70 0.00 0.00 0.00 174.94 174.60 2qtp s GLU 12 N -0.90 0.70 -0.16 2.79 2.12 -0.14 -4.99 118.70 118.11 2qtp s GLU 12 Ca 0.09 0.00 -0.03 0.00 0.36 0.00 0.00 54.97 55.39 2qtp s GLU 12 Cb -0.09 -0.88 -0.02 0.00 0.26 0.00 0.00 34.13 33.40 2qtp s GLU 12 CO 0.01 -0.19 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.27 2qtp s GLU 13 N 1.41 3.56 -0.25 4.30 2.02 -1.26 -1.51 118.70 126.98 2qtp s GLU 13 Ca -0.03 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 2qtp s GLU 13 Cb -0.13 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2qtp s GLU 13 CO -0.03 0.18 0.04 0.99 0.02 0.00 0.00 175.26 176.46 2qtp s THR 14 N 0.49 3.96 -0.14 3.63 2.01 -0.25 -4.95 115.64 120.39 2qtp s THR 14 Ca -0.05 -0.37 0.14 0.00 0.31 0.00 0.00 61.69 61.73 2qtp s THR 14 Cb -0.15 -2.88 -0.21 0.00 0.01 0.00 0.00 72.50 69.28 2qtp s THR 14 CO 0.03 0.32 0.37 0.54 -0.69 0.00 0.00 174.62 175.19 2qtp n ARG 15 N 4.88 0.80 -4.06 4.92 1.74 -1.26 -2.20 116.66 121.47 2qtp n ARG 15 Ca -0.16 -0.11 -0.18 0.00 -0.77 0.00 0.00 57.85 56.63 2qtp n ARG 15 Cb 0.51 -1.31 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 2qtp n ARG 15 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qtp s ILE 16 N -2.88 0.35 -0.11 0.55 1.01 -1.26 0.32 121.20 119.18 2qtp s ILE 16 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 2qtp s ILE 16 Cb 0.10 -0.40 0.03 0.00 0.01 0.00 0.00 42.46 42.20 2qtp s ILE 16 CO 0.60 0.17 0.28 -0.70 0.00 0.00 0.00 174.94 175.29 2qtp s GLU 17 N 0.82 0.32 -1.77 2.79 2.12 -0.50 -4.83 118.70 117.64 2qtp s GLU 17 Ca -0.09 0.40 -0.19 0.00 0.36 0.00 0.00 54.97 55.44 2qtp s GLU 17 Cb -0.13 0.14 0.18 0.00 0.26 0.00 0.00 34.13 34.58 2qtp s GLU 17 CO -0.01 -0.05 0.66 0.00 -0.54 0.00 0.00 175.26 175.33 2qtp n ALA 18 N 3.04 -1.30 -1.33 6.30 0.00 -1.26 0.22 120.51 126.19 2qtp n ALA 18 Ca -0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 2qtp n ALA 18 Cb 0.58 -2.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 2qtp n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qtp n GLY 19 N -1.33 1.23 3.10 0.00 0.00 -1.26 -5.00 105.19 101.93 2qtp n GLY 19 Ca 0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2qtp n GLY 19 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qtp s ARG 20 N -2.86 2.21 -0.19 1.61 3.52 0.13 -5.10 118.95 118.28 2qtp s ARG 20 Ca 0.00 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 2qtp s ARG 20 Cb 0.00 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.60 2qtp s ARG 20 CO 0.00 0.09 1.88 -1.21 -0.81 0.00 0.00 175.30 175.26 2qtp s GLU 21 N 0.51 3.59 -0.50 5.12 2.02 -1.26 -1.42 118.70 126.77 2qtp s GLU 21 Ca -0.16 1.90 -0.23 0.00 0.02 0.00 0.00 54.97 56.51 2qtp s GLU 21 Cb -0.16 -4.18 0.04 0.00 0.10 0.00 0.00 34.13 29.92 2qtp s GLU 21 CO 0.06 -1.56 0.83 0.42 0.02 0.00 0.00 175.26 175.03 2qtp s ILE 22 N 6.23 4.57 -0.15 -1.63 -1.09 0.15 -4.96 121.20 124.31 2qtp s ILE 22 Ca 0.84 0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2qtp s ILE 22 Cb -0.30 -4.41 0.05 0.00 -1.58 0.00 0.00 42.46 36.22 2qtp s ILE 22 CO 0.34 -0.89 0.02 -0.55 -1.23 0.00 0.00 174.94 172.63 2qtp s SER 23 N 2.50 2.47 0.65 3.58 0.15 -1.26 -2.37 113.70 119.42 2qtp s SER 23 Ca 0.28 -0.58 -0.15 0.00 0.70 0.00 0.00 55.95 56.20 2qtp s SER 23 Cb -0.13 -0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2qtp s SER 23 CO 0.20 -0.27 1.11 -2.16 1.20 0.00 0.00 173.24 173.32 2qtp s PRO 24 N 1.90 2.84 0.46 5.44 0.04 -1.26 -5.10 135.00 139.32 2qtp s PRO 24 Ca 0.01 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 2qtp s PRO 24 Cb -0.15 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2qtp s PRO 24 CO -0.07 -1.22 1.21 -2.30 0.04 0.00 0.00 177.00 174.66 2qtp n PRO 25 N -2.34 1.70 -3.21 0.56 -0.02 -1.00 -4.99 135.00 125.70 2qtp n PRO 25 Ca 0.10 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 2qtp n PRO 25 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 2qtp n PRO 25 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2qtp s THR 26 N -1.26 4.71 0.02 3.45 -4.23 -0.94 -4.86 115.64 112.53 2qtp s THR 26 Ca 0.65 1.00 0.03 0.00 -1.18 0.00 0.00 61.69 62.18 2qtp s THR 26 Cb -0.49 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 69.60 2qtp s THR 26 CO 0.55 0.09 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.51 2qtp s ARG 27 N -2.31 0.60 0.02 3.99 0.52 -0.69 -1.09 118.95 119.98 2qtp s ARG 27 Ca 0.45 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.17 2qtp s ARG 27 Cb -0.14 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.81 2qtp s ARG 27 CO 0.20 0.12 -0.16 0.15 0.02 0.00 0.00 175.30 175.62 2qtp s LYS 28 N -0.91 1.15 0.04 3.54 1.02 -0.57 -0.50 119.74 123.52 2qtp s LYS 28 Ca -0.03 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2qtp s LYS 28 Cb -0.06 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2qtp s LYS 28 CO 0.00 0.30 -0.10 0.00 -0.92 0.00 0.00 175.35 174.64 2qtp s ALA 29 N -0.68 0.75 -0.04 5.17 0.00 -0.06 -0.97 121.76 125.92 2qtp s ALA 29 Ca 0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 2qtp s ALA 29 Cb -0.07 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2qtp s ALA 29 CO 0.01 0.06 0.09 0.54 0.00 0.00 0.00 175.76 176.45 2qtp s VAL 30 N -1.19 -0.04 -0.10 0.00 0.11 -0.17 -1.32 120.40 117.69 2qtp s VAL 30 Ca -0.06 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2qtp s VAL 30 Cb -0.09 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 2qtp s VAL 30 CO 0.01 0.05 -0.13 0.00 -3.33 0.00 0.00 175.10 171.70 2qtp s ALA 31 N 0.77 2.66 -0.03 1.54 0.00 0.00 -0.97 121.76 125.74 2qtp s ALA 31 Ca -0.06 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2qtp s ALA 31 Cb -0.08 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2qtp s ALA 31 CO -0.03 0.39 -0.16 0.08 0.00 0.00 0.00 175.76 176.04 2qtp s VAL 32 N -0.14 1.26 -0.03 0.00 1.01 0.71 -1.29 120.40 121.93 2qtp s VAL 32 Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2qtp s VAL 32 Cb -0.14 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2qtp s VAL 32 CO 0.03 0.36 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 2qtp s ALA 33 N -0.15 1.79 -0.27 5.51 0.00 -0.25 -0.56 121.76 127.83 2qtp s ALA 33 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 2qtp s ALA 33 Cb -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2qtp s ALA 33 CO 0.01 0.40 0.06 0.08 0.00 0.00 0.00 175.76 176.31 2qtp s VAL 34 N -0.35 4.03 0.22 0.00 1.01 -0.30 -1.03 120.40 123.97 2qtp s VAL 34 Ca 0.04 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.65 2qtp s VAL 34 Cb -0.10 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2qtp s VAL 34 CO 0.00 0.22 -0.17 0.27 0.00 0.00 0.00 175.10 175.43 2qtp s ILE 35 N 1.54 1.99 0.17 2.22 -4.36 -0.34 -0.48 121.20 121.94 2qtp s ILE 35 Ca 0.04 -2.22 -0.30 0.00 -0.26 0.00 0.00 60.65 57.92 2qtp s ILE 35 Cb -0.16 -2.09 -0.08 0.00 1.25 0.00 0.00 42.46 41.38 2qtp s ILE 35 CO 0.02 -0.48 1.20 -0.70 0.24 0.00 0.00 174.94 175.22 2qtp s GLU 36 N -3.43 4.49 -0.38 0.37 2.12 -1.06 -1.05 118.70 119.75 2qtp s GLU 36 Ca 0.24 1.86 -0.25 0.00 0.36 0.00 0.00 54.97 57.17 2qtp s GLU 36 Cb -0.03 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.12 2qtp s GLU 36 CO 0.09 -0.11 0.88 1.21 -0.54 0.00 0.00 175.26 176.80 2qtp s ASN 37 N 0.25 6.62 0.43 -1.70 3.84 0.26 -4.77 114.94 119.88 2qtp s ASN 37 Ca 0.54 0.47 0.30 0.00 0.21 0.00 0.00 52.86 54.37 2qtp s ASN 37 Cb -0.32 -2.44 1.46 0.00 -0.55 0.00 0.00 41.25 39.40 2qtp s ASN 37 CO 0.35 -0.84 1.90 1.55 -2.79 0.00 0.00 177.10 177.28 2qtp h PRO 38 N 8.54 0.00 -0.57 0.43 0.13 -1.95 -2.60 132.00 135.98 2qtp h PRO 38 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qtp h PRO 38 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qtp h PRO 38 CO 0.97 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.93 2qtp n PHE 39 N -2.60 1.05 -1.82 1.56 3.72 -1.26 -4.96 117.46 113.14 2qtp n PHE 39 Ca -0.01 -0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 56.41 2qtp n PHE 39 Cb 0.14 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2qtp n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qtp s ALA 40 N -1.47 3.76 0.00 4.37 0.00 -0.98 -2.07 121.76 125.37 2qtp s ALA 40 Ca 0.43 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2qtp s ALA 40 Cb 0.26 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2qtp s ALA 40 CO 0.24 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2qtp n GLY 41 N 2.54 0.47 3.26 0.00 0.00 -0.48 -5.00 105.19 105.99 2qtp n GLY 41 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2qtp n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtp s ARG 42 N -0.43 1.08 -0.40 1.61 0.52 -0.88 -5.11 118.95 115.34 2qtp s ARG 42 Ca 0.00 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 53.92 2qtp s ARG 42 Cb 0.00 -1.04 0.10 0.00 0.52 0.00 0.00 34.95 34.54 2qtp s ARG 42 CO 0.00 0.21 0.20 0.71 0.02 0.00 0.00 175.30 176.44 2qtp s TYR 43 N -2.00 3.53 0.11 -0.53 2.02 -1.26 -4.96 117.35 114.26 2qtp s TYR 43 Ca 0.10 -2.26 0.07 0.00 -0.37 0.00 0.00 57.07 54.60 2qtp s TYR 43 Cb -0.06 -3.12 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 2qtp s TYR 43 CO 0.04 -0.95 -0.16 0.14 -1.57 0.00 0.00 175.55 173.04 2qtp s VAL 44 N 1.19 1.42 -0.18 0.71 -7.23 -1.26 -5.07 120.40 109.98 2qtp s VAL 44 Ca 0.06 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 2qtp s VAL 44 Cb -0.23 -1.43 -0.16 0.00 0.56 0.00 0.00 36.38 35.12 2qtp s VAL 44 CO -0.03 -0.24 -0.07 -0.62 -0.31 0.00 0.00 175.10 173.82 2qtp n GLU 45 N 0.90 0.92 -3.02 4.82 -0.58 -1.26 -4.88 120.64 117.54 2qtp n GLU 45 Ca -0.18 0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.19 2qtp n GLU 45 Cb 0.55 -1.41 -0.05 0.00 -0.57 0.00 0.00 31.44 29.96 2qtp n GLU 45 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2qtp s ASP 46 N -5.52 6.28 -0.18 1.62 -1.08 -1.26 -4.90 116.67 111.64 2qtp s ASP 46 Ca -0.19 -0.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.37 2qtp s ASP 46 Cb 0.06 -2.35 0.77 0.00 -1.46 0.00 0.00 42.92 39.93 2qtp s ASP 46 CO 0.56 -1.03 1.69 0.18 0.52 0.00 0.00 175.17 177.08 2qtp n LEU 47 N 6.73 5.22 -0.29 -1.34 4.77 -1.26 -4.62 117.00 126.21 2qtp n LEU 47 Ca -0.03 -2.70 0.10 0.00 -0.03 0.00 0.00 56.01 53.35 2qtp n LEU 47 Cb 0.46 -0.63 0.23 0.00 -2.33 0.00 0.00 43.42 41.15 2qtp n LEU 47 CO 0.58 0.72 0.85 0.74 -1.33 0.00 0.00 177.39 178.96 2qtp h THR 48 N 3.97 0.25 -0.85 -5.08 2.02 -1.99 -0.67 112.91 110.56 2qtp h THR 48 Ca 0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2qtp h THR 48 Cb 1.71 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 2qtp h THR 48 CO 0.36 0.02 0.56 -0.08 0.37 0.00 0.00 175.52 176.75 2qtp h GLU 49 N 0.11 1.07 -1.51 6.66 4.81 -2.01 -0.19 114.58 123.51 2qtp h GLU 49 Ca 0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2qtp h GLU 49 Cb 0.97 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2qtp h GLU 49 CO -0.73 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 179.54 2qtp n LEU 50 N -4.43 2.44 0.00 1.64 4.77 -0.26 -1.83 117.00 119.34 2qtp n LEU 50 Ca 0.10 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 2qtp n LEU 50 Cb 0.07 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2qtp n LEU 50 CO 0.36 0.43 0.00 0.47 -1.33 0.00 0.00 177.39 177.31 2qtp n ASP 52 N 0.94 0.00 -0.26 -1.43 8.00 -0.09 -1.03 116.55 122.69 2qtp n ASP 52 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2qtp n ASP 52 Cb 0.34 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.48 2qtp n ASP 52 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2qtp h THR 53 N 0.00 1.25 -0.75 -3.53 2.02 -1.60 -2.85 112.91 107.45 2qtp h THR 53 Ca 0.00 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2qtp h THR 53 Cb 0.00 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2qtp h THR 53 CO 0.00 0.32 0.38 1.23 0.37 0.00 0.00 175.52 177.82 2qtp h GLY 54 N 1.02 1.13 0.74 2.16 0.00 -1.26 -1.11 103.07 105.74 2qtp h GLY 54 Ca 0.23 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2qtp h GLY 54 CO -0.02 0.51 0.16 0.00 0.00 0.00 0.00 176.54 177.19 2qtp h ALA 55 N 1.36 0.45 -0.35 3.60 0.00 -1.75 -0.72 119.26 121.85 2qtp h ALA 55 Ca 0.26 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2qtp h ALA 55 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qtp h ALA 55 CO -0.04 -0.22 -0.28 1.05 0.00 0.00 0.00 179.25 179.76 2qtp h GLU 56 N 0.33 0.74 -0.30 0.00 -0.00 -1.39 -3.01 114.58 110.95 2qtp h GLU 56 Ca 0.17 -0.32 -0.11 0.00 -0.00 0.00 0.00 59.36 59.10 2qtp h GLU 56 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.84 2qtp h GLU 56 CO -0.15 0.93 -0.22 -0.07 -0.00 0.00 0.00 179.01 179.51 2qtp h LEU 57 N 0.63 0.72 -0.67 3.06 3.38 -1.04 -1.51 115.31 119.88 2qtp h LEU 57 Ca 0.08 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2qtp h LEU 57 Cb 0.80 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2qtp h LEU 57 CO 0.07 1.01 0.42 1.23 0.09 0.00 0.00 178.44 181.25 2qtp h GLY 58 N 0.44 0.97 0.91 0.83 0.00 -1.12 0.25 103.07 105.35 2qtp h GLY 58 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2qtp h GLY 58 CO 0.06 0.27 0.09 0.00 0.00 0.00 0.00 176.54 176.96 2qtp h ALA 59 N 1.29 0.27 -0.03 3.60 0.00 -1.52 0.10 119.26 122.97 2qtp h ALA 59 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qtp h ALA 59 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qtp h ALA 59 CO -0.11 -0.16 0.02 1.25 0.00 0.00 0.00 179.25 180.25 2qtp h LEU 60 N 0.20 0.04 -0.48 0.00 5.85 -0.62 -1.98 115.31 118.32 2qtp h LEU 60 Ca 0.07 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 2qtp h LEU 60 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2qtp h LEU 60 CO -0.01 0.12 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.53 2qtp h LEU 61 N -0.04 0.58 -0.93 2.25 3.38 -0.53 -1.67 115.31 118.34 2qtp h LEU 61 Ca 0.01 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qtp h LEU 61 Cb 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2qtp h LEU 61 CO -0.00 1.05 0.47 1.23 0.09 0.00 0.00 178.44 181.28 2qtp h GLY 62 N 1.11 1.31 1.07 0.83 0.00 -0.74 -1.26 103.07 105.38 2qtp h GLY 62 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 2qtp h GLY 62 CO 0.11 0.58 -0.13 -2.09 0.00 0.00 0.00 176.54 175.01 2qtp h GLU 63 N 1.22 0.97 -0.83 4.80 4.57 -1.21 -2.69 114.58 121.41 2qtp h GLU 63 Ca 0.31 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2qtp h GLU 63 Cb 0.04 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2qtp h GLU 63 CO -0.05 1.04 0.45 0.00 -1.18 0.00 0.00 179.01 179.27 2qtp h ARG 64 N 0.83 1.16 0.09 1.92 2.47 -0.96 -0.88 114.38 119.01 2qtp h ARG 64 Ca 0.13 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2qtp h ARG 64 Cb 0.69 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2qtp h ARG 64 CO 0.05 0.86 -0.12 0.00 0.56 0.00 0.00 179.97 181.32 2qtp h VAL 66 N -0.25 1.27 -0.89 0.00 -1.51 -1.33 -2.05 116.25 111.48 2qtp h VAL 66 Ca 0.01 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.20 2qtp h VAL 66 Cb 0.25 1.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 2qtp h VAL 66 CO -0.06 0.44 0.53 1.56 -1.23 0.00 0.00 177.57 178.81 2qtp h GLN 67 N 0.80 1.22 -0.56 5.19 4.20 -1.05 0.34 115.11 125.24 2qtp h GLN 67 Ca 0.12 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2qtp h GLN 67 Cb 0.68 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2qtp h GLN 67 CO 0.05 0.86 0.14 0.00 -0.67 0.00 0.00 178.83 179.21 2qtp h ALA 68 N 1.29 1.20 -0.01 3.87 0.00 -0.58 -2.55 119.26 122.49 2qtp h ALA 68 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qtp h ALA 68 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2qtp h ALA 68 CO -0.06 0.55 -0.25 1.28 0.00 0.00 0.00 179.25 180.77 2qtp n LEU 69 N -4.27 0.90 -3.72 0.00 4.77 -0.81 -4.95 117.00 108.92 2qtp n LEU 69 Ca 0.04 -0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.57 2qtp n LEU 69 Cb 0.22 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2qtp n LEU 69 CO 0.40 0.17 0.13 0.61 -1.33 0.00 0.00 177.39 177.37 2qtp n GLY 70 N 1.34 -0.47 3.48 -0.72 0.00 0.03 -4.99 105.19 103.87 2qtp n GLY 70 Ca 0.12 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 2qtp n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qtp s ILE 71 N -3.37 1.61 0.32 -0.61 -4.36 -0.75 -5.04 121.20 109.00 2qtp s ILE 71 Ca 0.46 -2.07 -0.18 0.00 -0.26 0.00 0.00 60.65 58.60 2qtp s ILE 71 Cb -0.22 -2.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.74 2qtp s ILE 71 CO 0.78 -0.15 0.78 0.00 0.24 0.00 0.00 174.94 176.59 2qtp s ARG 72 N -3.77 4.13 0.49 0.37 1.70 -1.26 -4.58 118.95 116.03 2qtp s ARG 72 Ca 0.33 0.83 0.22 0.00 -0.47 0.00 0.00 55.73 56.63 2qtp s ARG 72 Cb 0.06 -2.51 1.26 0.00 -0.57 0.00 0.00 34.95 33.19 2qtp s ARG 72 CO 0.14 0.18 1.96 -1.35 -1.08 0.00 0.00 175.30 175.16 2qtp h PRO 73 N 2.50 0.17 0.00 3.89 0.11 -1.99 -1.01 132.00 135.67 2qtp h PRO 73 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2qtp h PRO 73 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qtp h PRO 73 CO 0.65 0.11 -0.03 0.93 -0.21 0.00 0.00 178.00 179.44 2qtp h GLU 74 N 0.17 0.00 0.00 1.05 3.07 -2.04 -2.78 114.58 114.05 2qtp h GLU 74 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2qtp h GLU 74 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2qtp h GLU 74 CO -0.05 0.03 0.00 1.04 -1.40 0.00 0.00 179.01 178.63 2qtp n GLN 75 N -3.15 0.12 -2.11 2.33 6.02 -0.38 -4.86 117.38 115.34 2qtp n GLN 75 Ca 0.00 0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 2qtp n GLN 75 Cb 0.30 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 2qtp n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qtp s ALA 76 N -3.08 3.62 -0.05 -1.58 0.00 -1.05 -4.65 121.76 114.96 2qtp s ALA 76 Ca 0.11 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 2qtp s ALA 76 Cb 0.14 -3.54 -0.29 0.00 0.00 0.00 0.00 23.12 19.43 2qtp s ALA 76 CO 0.50 -0.65 0.63 1.49 0.00 0.00 0.00 175.76 177.73 2qtp h GLU 77 N 6.15 0.32 -4.44 0.00 4.57 -1.41 -3.49 114.58 116.28 2qtp h GLU 77 Ca -0.43 -0.55 -0.20 0.00 -1.18 0.00 0.00 59.36 56.99 2qtp h GLU 77 Cb 1.21 0.20 -0.17 0.00 -0.16 0.00 0.00 28.75 29.83 2qtp h GLU 77 CO 0.84 1.22 -0.70 -1.12 -1.18 0.00 0.00 179.01 178.06 2qtp s SER 78 N -7.12 0.79 0.10 1.04 0.01 -1.24 -4.64 113.70 102.64 2qtp s SER 78 Ca -0.16 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2qtp s SER 78 Cb 0.06 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2qtp s SER 78 CO 0.83 -0.41 -0.02 -0.31 0.41 0.00 0.00 173.24 173.75 2qtp s TYR 79 N -2.81 0.83 -0.04 2.43 1.51 -1.12 -1.83 117.35 116.32 2qtp s TYR 79 Ca 0.01 -1.05 -0.30 0.00 -1.01 0.00 0.00 57.07 54.72 2qtp s TYR 79 Cb -0.00 -0.50 0.11 0.00 -0.11 0.00 0.00 41.96 41.46 2qtp s TYR 79 CO -0.04 -0.31 1.07 0.20 -1.11 0.00 0.00 175.55 175.36 2qtp s GLY 80 N -3.03 -0.36 0.01 0.71 0.00 -0.52 -1.85 107.32 102.28 2qtp s GLY 80 Ca 0.15 1.00 -0.15 0.00 0.00 0.00 0.00 44.72 45.72 2qtp s GLY 80 CO -0.03 0.31 0.32 -1.59 0.00 0.00 0.00 173.10 172.10 2qtp s LYS 81 N -2.81 0.75 0.18 2.90 -2.85 -0.90 -0.74 119.74 116.26 2qtp s LYS 81 Ca 0.09 -0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 54.62 2qtp s LYS 81 Cb -0.00 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2qtp s LYS 81 CO -0.05 -0.22 0.39 -1.12 0.10 0.00 0.00 175.35 174.45 2qtp s SER 82 N -1.65 -0.09 0.00 0.03 0.01 -0.39 -2.35 113.70 109.26 2qtp s SER 82 Ca -0.10 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2qtp s SER 82 Cb -0.03 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2qtp s SER 82 CO 0.01 -0.96 0.00 0.00 0.41 0.00 0.00 173.24 172.70 2qtp n ALA 83 N -0.27 0.00 -3.53 1.44 0.00 -0.86 -0.77 120.51 116.52 2qtp n ALA 83 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2qtp n ALA 83 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 2qtp n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtp s VAL 85 N -1.97 -0.00 1.01 0.00 0.11 -0.11 -1.68 120.40 117.76 2qtp s VAL 85 Ca 0.00 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2qtp s VAL 85 Cb 0.00 -0.86 0.20 0.00 -1.53 0.00 0.00 36.38 34.19 2qtp s VAL 85 CO 0.00 0.00 1.08 -0.83 -3.33 0.00 0.00 175.10 172.02 2qtp s GLY 86 N 0.40 1.58 0.48 6.54 0.00 0.41 -1.24 107.32 115.48 2qtp s GLY 86 Ca -0.01 -0.19 0.16 0.00 0.00 0.00 0.00 44.72 44.69 2qtp s GLY 86 CO -0.00 0.42 2.05 0.83 0.00 0.00 0.00 173.10 176.39 2qtp h GLU 87 N -2.00 0.22 -0.10 2.90 5.08 -1.56 -1.38 114.58 117.74 2qtp h GLU 87 Ca -0.55 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2qtp h GLU 87 Cb 1.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qtp h GLU 87 CO 0.54 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 2qtp n ASN 88 N -4.47 1.23 -1.65 1.42 3.02 -0.36 -4.86 115.26 109.59 2qtp n ASN 88 Ca 0.05 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 2qtp n ASN 88 Cb 0.28 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2qtp n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qtp n GLY 89 N 1.06 1.48 3.21 7.41 0.00 -0.52 -1.38 105.19 116.45 2qtp n GLY 89 Ca 0.17 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 2qtp n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qtp s GLU 90 N -1.08 0.93 0.44 1.61 0.41 -1.26 -4.98 118.70 114.77 2qtp s GLU 90 Ca 0.00 -1.19 0.10 0.00 -0.41 0.00 0.00 54.97 53.47 2qtp s GLU 90 Cb 0.00 -0.73 0.96 0.00 -1.78 0.00 0.00 34.13 32.59 2qtp s GLU 90 CO 0.00 0.13 2.06 1.25 -0.49 0.00 0.00 175.26 178.21 2qtp h LEU 91 N 3.56 0.29 -2.03 1.80 5.85 -1.96 -1.14 115.31 121.68 2qtp h LEU 91 Ca -0.39 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2qtp h LEU 91 Cb 1.19 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2qtp h LEU 91 CO 0.51 0.25 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.44 2qtp h GLU 92 N 0.33 0.00 -0.58 1.25 3.07 -1.99 -1.58 114.58 115.09 2qtp h GLU 92 Ca 0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 2qtp h GLU 92 Cb 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2qtp h GLU 92 CO -0.01 0.09 0.05 0.45 -1.40 0.00 0.00 179.01 178.18 2qtp h HIS 93 N 0.00 1.02 -0.28 4.33 3.86 -1.62 -1.03 115.15 121.43 2qtp h HIS 93 Ca -0.00 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 2qtp h HIS 93 Cb 0.21 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2qtp h HIS 93 CO 0.00 0.89 -0.05 0.00 0.86 0.00 0.00 177.93 179.64 2qtp h ALA 94 N 1.15 0.39 -0.60 2.45 0.00 -1.39 -1.44 119.26 119.82 2qtp h ALA 94 Ca 0.17 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.93 2qtp h ALA 94 Cb 0.46 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2qtp h ALA 94 CO 0.02 0.18 0.15 0.00 0.00 0.00 0.00 179.25 179.60 2qtp h ALA 95 N 0.79 0.72 -0.04 0.00 0.00 -1.21 -1.84 119.26 117.68 2qtp h ALA 95 Ca 0.07 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qtp h ALA 95 Cb 0.51 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qtp h ALA 95 CO 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.00 2qtp h ALA 96 N 1.47 0.06 -0.21 0.00 0.00 -1.02 -1.27 119.26 118.29 2qtp h ALA 96 Ca 0.31 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2qtp h ALA 96 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qtp h ALA 96 CO -0.38 -0.32 0.14 0.97 0.00 0.00 0.00 179.25 179.65 2qtp h ILE 97 N -0.15 0.96 -0.01 0.00 2.10 -1.07 -2.27 117.51 117.07 2qtp h ILE 97 Ca 0.01 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.91 2qtp h ILE 97 Cb 0.24 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 2qtp h ILE 97 CO 0.00 0.02 -0.16 0.18 -1.08 0.00 0.00 178.15 177.11 2qtp n LEU 98 N -4.50 1.51 0.15 2.19 4.77 -0.71 -4.28 117.00 116.13 2qtp n LEU 98 Ca 0.01 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 2qtp n LEU 98 Cb 0.20 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2qtp n LEU 98 CO 0.35 0.27 0.77 -0.74 -1.33 0.00 0.00 177.39 176.70 2qtp h HIS 99 N 2.11 -0.28 -4.02 -1.77 2.76 -0.62 -3.44 115.15 109.89 2qtp h HIS 99 Ca 0.00 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.62 2qtp h HIS 99 Cb 0.58 0.09 0.12 0.00 1.55 0.00 0.00 27.41 29.76 2qtp h HIS 99 CO 0.00 -0.14 0.62 -1.25 -1.30 0.00 0.00 177.93 175.86 2qtp s PRO 100 N -5.96 3.44 0.44 5.26 0.04 -1.26 -4.97 135.00 131.99 2qtp s PRO 100 Ca -0.15 2.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 2qtp s PRO 100 Cb 0.05 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 2qtp s PRO 100 CO 0.64 -0.95 1.21 0.15 0.04 0.00 0.00 177.00 178.09 2qtp s LYS 101 N -2.69 3.82 0.14 4.56 1.02 -1.26 -4.92 119.74 120.41 2qtp s LYS 101 Ca 0.66 1.90 -0.24 0.00 0.02 0.00 0.00 55.97 58.31 2qtp s LYS 101 Cb -0.40 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2qtp s LYS 101 CO 0.49 -0.54 1.62 -0.07 -0.92 0.00 0.00 175.35 175.94 2qtp h LEU 102 N 2.26 -0.85-10.12 3.17 3.38 -1.94 -3.49 115.31 107.71 2qtp h LEU 102 Ca -0.49 0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.10 2qtp h LEU 102 Cb 1.25 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2qtp h LEU 102 CO 0.61 -0.31 -0.14 -0.22 0.09 0.00 0.00 178.44 178.46 2qtp s LEU 116 N -10.45 4.04 -0.08 1.67 1.98 -1.26 -5.00 118.68 109.59 2qtp s LEU 116 Ca -0.15 0.68 -0.30 0.00 -2.89 0.00 0.00 54.13 51.47 2qtp s LEU 116 Cb 0.11 -3.50 -0.03 0.00 0.66 0.00 0.00 46.19 43.43 2qtp s LEU 116 CO 0.67 -0.22 1.18 -0.69 -1.89 0.00 0.00 176.35 175.41 2qtp s VAL 117 N -2.13 4.32 0.50 1.68 1.01 -1.26 -4.93 120.40 119.59 2qtp s VAL 117 Ca 0.43 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 2qtp s VAL 117 Cb -0.11 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 2qtp s VAL 117 CO 0.31 -0.02 1.15 -2.16 0.00 0.00 0.00 175.10 174.38 2qtp s PRO 118 N 2.35 3.55 0.05 2.72 0.04 -1.26 -4.91 135.00 137.54 2qtp s PRO 118 Ca 0.55 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2qtp s PRO 118 Cb -0.23 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2qtp s PRO 118 CO 0.20 -0.71 -0.04 -1.54 0.04 0.00 0.00 177.00 174.95 2qtp s SER 119 N -1.56 0.58 0.03 6.66 1.04 -1.26 -2.12 113.70 117.07 2qtp s SER 119 Ca 0.68 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.35 2qtp s SER 119 Cb -0.26 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 2qtp s SER 119 CO 0.31 -0.42 -0.04 -0.94 0.98 0.00 0.00 173.24 173.13 2qtp s SER 120 N -2.25 0.47 0.00 7.02 1.04 -0.99 -4.97 113.70 114.02 2qtp s SER 120 Ca -0.02 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2qtp s SER 120 Cb -0.01 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2qtp s SER 120 CO -0.05 -0.31 -0.13 -1.59 0.98 0.00 0.00 173.24 172.15 2qtp s LYS 121 N -1.81 0.98 0.00 4.02 -2.85 -1.26 -2.03 119.74 116.79 2qtp s LYS 121 Ca -0.11 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 2qtp s LYS 121 Cb -0.08 -0.95 0.00 0.00 -2.06 0.00 0.00 37.83 34.74 2qtp s LYS 121 CO -0.02 0.26 0.00 1.63 0.10 0.00 0.00 175.35 177.32 2qtp n LYS 122 N 2.56 0.00 -3.48 1.78 4.76 -0.67 -4.99 118.16 118.11 2qtp n LYS 122 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2qtp n LYS 122 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2qtp n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qtp n GLY 124 N 0.00 -0.97 3.26 0.72 0.00 -0.38 -0.94 105.19 106.89 2qtp n GLY 124 Ca 0.00 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 2qtp n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qtp s SER 125 N -4.00 0.93 0.15 1.61 1.04 -1.26 -3.38 113.70 108.78 2qtp s SER 125 Ca 0.00 -1.51 -0.34 0.00 0.48 0.00 0.00 55.95 54.57 2qtp s SER 125 Cb 0.00 0.40 -0.14 0.00 0.10 0.00 0.00 66.02 66.38 2qtp s SER 125 CO 0.00 -0.89 1.52 -2.65 0.98 0.00 0.00 173.24 172.20 2qtp n PRO 126 N -0.44 1.93 -0.07 4.02 -0.02 -1.15 -2.08 135.00 137.19 2qtp n PRO 126 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2qtp n PRO 126 Cb 0.65 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2qtp n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtp n GLY 127 N 3.20 1.40 3.78 -1.23 0.00 -0.63 -4.82 105.19 106.89 2qtp n GLY 127 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2qtp n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qtp s GLN 128 N -0.50 4.28 0.08 1.61 -0.21 -0.88 -4.72 119.66 119.31 2qtp s GLN 128 Ca 0.00 1.57 -0.30 0.00 0.02 0.00 0.00 55.36 56.64 2qtp s GLN 128 Cb 0.00 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 2qtp s GLN 128 CO 0.00 -0.05 1.06 0.08 -2.12 0.00 0.00 175.29 174.26 2qtp s VAL 129 N -1.55 4.37 -0.16 1.09 1.01 -1.26 -4.61 120.40 119.28 2qtp s VAL 129 Ca 0.55 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 64.32 2qtp s VAL 129 Cb -0.24 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2qtp s VAL 129 CO 0.30 0.21 -0.07 -0.22 0.00 0.00 0.00 175.10 175.31 2qtp s LEU 130 N 0.53 2.96 -0.29 3.92 2.96 0.29 -4.96 118.68 124.09 2qtp s LEU 130 Ca 0.52 -0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 53.97 2qtp s LEU 130 Cb -0.25 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2qtp s LEU 130 CO 0.30 0.12 0.56 -0.62 -1.32 0.00 0.00 176.35 175.38 2qtp s ASP 131 N 0.66 6.44 -0.33 3.68 -1.08 -1.26 -1.14 116.67 123.65 2qtp s ASP 131 Ca -0.04 0.42 -0.15 0.00 -0.52 0.00 0.00 52.55 52.26 2qtp s ASP 131 Cb -0.15 -2.30 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 2qtp s ASP 131 CO 0.02 -0.38 0.38 -0.69 0.52 0.00 0.00 175.17 175.03 2qtp s VAL 132 N 2.43 5.15 0.65 1.11 1.01 0.39 -4.85 120.40 126.29 2qtp s VAL 132 Ca 0.22 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2qtp s VAL 132 Cb -0.15 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2qtp s VAL 132 CO 0.10 -0.06 1.13 -2.16 0.00 0.00 0.00 175.10 174.11 2qtp s PRO 133 N 2.07 2.77 -0.20 2.72 0.04 -1.26 -1.47 135.00 139.66 2qtp s PRO 133 Ca 0.13 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 2qtp s PRO 133 Cb -0.16 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2qtp s PRO 133 CO 0.12 -1.29 0.01 -0.51 0.04 0.00 0.00 177.00 175.37 2qtp s LEU 134 N -4.77 1.52 -0.17 -3.56 1.43 -0.80 -3.80 118.68 108.54 2qtp s LEU 134 Ca 0.69 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2qtp s LEU 134 Cb -0.22 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2qtp s LEU 134 CO 0.40 -0.29 0.07 -0.83 0.23 0.00 0.00 176.35 175.93 2qtp s GLY 135 N 1.75 1.93 0.18 -3.19 0.00 -0.77 -3.38 107.32 103.84 2qtp s GLY 135 Ca -0.02 -0.74 0.09 0.00 0.00 0.00 0.00 44.72 44.06 2qtp s GLY 135 CO -0.08 -0.04 1.37 0.45 0.00 0.00 0.00 173.10 174.81 2qtp h HIS 136 N 6.38 0.00 -3.40 1.90 3.86 -1.87 -2.96 115.15 119.05 2qtp h HIS 136 Ca -0.40 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.68 2qtp h HIS 136 Cb 1.17 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.45 2qtp h HIS 136 CO 0.59 0.84 -0.40 -0.06 0.86 0.00 0.00 177.93 179.75 2qtp s PHE 146 N -2.92 -0.01 0.58 2.45 0.08 -1.26 -4.78 117.98 112.11 2qtp s PHE 146 Ca 0.01 -0.08 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 2qtp s PHE 146 Cb 0.10 -0.00 0.14 0.00 -0.57 0.00 0.00 43.02 42.68 2qtp s PHE 146 CO 0.79 -0.36 0.65 -3.47 -0.10 0.00 0.00 175.22 172.73 2qtp n ASP 147 N 1.15 -0.67 -3.64 1.36 2.03 -1.22 -4.87 116.55 110.69 2qtp n ASP 147 Ca -0.21 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.02 2qtp n ASP 147 Cb 0.57 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2qtp n ASP 147 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2qtp s GLY 148 N -4.11 -0.22 -0.01 0.27 0.00 -1.26 -1.90 107.32 100.10 2qtp s GLY 148 Ca 0.39 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.37 2qtp s GLY 148 CO 0.28 2.01 -0.02 -1.50 0.00 0.00 0.00 173.10 173.88 2qtp s ILE 149 N -2.38 0.16 0.01 0.90 2.07 -0.54 -4.95 121.20 116.47 2qtp s ILE 149 Ca 0.19 -0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 59.22 2qtp s ILE 149 Cb 0.01 -0.17 -0.06 0.00 0.13 0.00 0.00 42.46 42.37 2qtp s ILE 149 CO -0.01 0.07 0.47 -1.61 -1.91 0.00 0.00 174.94 171.96 2qtp s GLU 150 N 0.20 4.06 0.06 3.50 2.02 -1.26 -0.46 118.70 126.82 2qtp s GLU 150 Ca -0.02 0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.55 2qtp s GLU 150 Cb -0.04 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2qtp s GLU 150 CO -0.01 0.62 -0.12 0.14 0.02 0.00 0.00 175.26 175.91 2qtp s VAL 151 N -0.91 0.90 0.10 2.63 -7.23 -0.29 -4.97 120.40 110.63 2qtp s VAL 151 Ca 0.26 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 2qtp s VAL 151 Cb -0.18 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.90 2qtp s VAL 151 CO 0.15 -0.27 0.40 0.00 -0.31 0.00 0.00 175.10 175.08 2qtp s ARG 152 N -1.64 1.02 -0.03 4.82 1.70 -1.26 -0.55 118.95 123.01 2qtp s ARG 152 Ca -0.05 -0.61 0.02 0.00 -0.47 0.00 0.00 55.73 54.62 2qtp s ARG 152 Cb -0.10 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2qtp s ARG 152 CO 0.02 -0.39 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.26 2qtp s LEU 153 N -2.58 1.63 0.51 -1.89 1.43 -1.26 -5.04 118.68 111.47 2qtp s LEU 153 Ca 0.01 -0.17 0.23 0.00 -1.03 0.00 0.00 54.13 53.17 2qtp s LEU 153 Cb 0.01 -0.52 1.32 0.00 0.03 0.00 0.00 46.19 47.03 2qtp s LEU 153 CO -0.09 0.02 1.98 -0.55 0.23 0.00 0.00 176.35 177.94 2qtp h ASN 154 N 6.70 0.09 -0.04 2.29 -1.07 -1.93 -1.59 115.58 120.02 2qtp h ASN 154 Ca -0.35 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.03 2qtp h ASN 154 Cb 1.17 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 37.40 2qtp h ASN 154 CO 0.48 0.05 -0.00 -0.90 0.07 0.00 0.00 177.43 177.13 2qtp n ASP 155 N -4.40 2.58 -3.79 6.14 5.75 -1.26 -3.20 116.55 118.38 2qtp n ASP 155 Ca 0.11 -3.09 -0.12 0.00 -0.01 0.00 0.00 54.79 51.68 2qtp n ASP 155 Cb 0.59 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.15 2qtp n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qtp s ALA 156 N -2.88 -0.59 0.02 2.12 0.00 -1.04 -4.18 121.76 115.21 2qtp s ALA 156 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 2qtp s ALA 156 Cb 0.29 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2qtp s ALA 156 CO 0.04 -0.34 0.85 -1.25 0.00 0.00 0.00 175.76 175.06 2qtp s PRO 157 N -2.13 4.54 0.97 0.00 0.04 -1.26 -1.83 135.00 135.33 2qtp s PRO 157 Ca -0.08 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2qtp s PRO 157 Cb -0.03 -3.41 0.17 0.00 0.04 0.00 0.00 34.50 31.28 2qtp s PRO 157 CO -0.01 0.13 1.08 1.03 0.04 0.00 0.00 177.00 179.27 2qtp s ARG 158 N 0.45 0.62 0.44 4.56 0.52 -1.26 -2.94 118.95 121.34 2qtp s ARG 158 Ca 0.44 0.84 0.20 0.00 -0.52 0.00 0.00 55.73 56.69 2qtp s ARG 158 Cb -0.21 -1.73 1.16 0.00 0.52 0.00 0.00 34.95 34.69 2qtp s ARG 158 CO 0.25 -2.68 1.87 0.00 0.02 0.00 0.00 175.30 174.76 2qtp h ALA 159 N -1.87 2.31 -0.64 2.13 0.00 -1.92 -0.51 119.26 118.75 2qtp h ALA 159 Ca -0.52 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2qtp h ALA 159 Cb 1.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2qtp h ALA 159 CO 0.53 -0.58 0.14 0.27 0.00 0.00 0.00 179.25 179.61 2qtp n ASN 160 N -4.47 5.18 -4.59 0.00 6.94 -1.26 -1.22 115.26 115.85 2qtp n ASN 160 Ca 0.18 -3.04 -0.27 0.00 -0.02 0.00 0.00 54.58 51.44 2qtp n ASN 160 Cb 0.72 -0.71 -0.11 0.00 -2.36 0.00 0.00 39.78 37.33 2qtp n ASN 160 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2qtp s GLU 161 N -2.80 1.91 0.00 -3.83 2.02 -0.20 -0.57 118.70 115.23 2qtp s GLU 161 Ca 0.53 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2qtp s GLU 161 Cb 0.41 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 33.18 2qtp s GLU 161 CO 0.14 -0.10 0.00 -0.89 0.02 0.00 0.00 175.26 174.43 2qtp n ILE 162 N -0.93 0.00 0.00 -1.63 5.41 -0.22 -0.44 119.36 121.55 2qtp n ILE 162 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2qtp n ILE 162 Cb 0.67 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.60 2qtp n ILE 162 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qtp n VAL 164 N 0.00 0.00 -4.35 1.39 0.31 -0.20 -1.20 118.33 114.28 2qtp n VAL 164 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2qtp n VAL 164 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 2qtp n VAL 164 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qtp s ALA 165 N -0.82 0.84 -0.05 3.52 0.00 0.05 -1.09 121.76 124.21 2qtp s ALA 165 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2qtp s ALA 165 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2qtp s ALA 165 CO 0.00 0.18 -0.16 0.08 0.00 0.00 0.00 175.76 175.85 2qtp s VAL 166 N -0.46 1.41 0.12 0.00 1.01 -0.41 -1.27 120.40 120.80 2qtp s VAL 166 Ca 0.02 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2qtp s VAL 166 Cb -0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2qtp s VAL 166 CO 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 2qtp s ALA 167 N 0.22 1.83 -0.02 5.51 0.00 0.08 -0.82 121.76 128.57 2qtp s ALA 167 Ca -0.08 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 2qtp s ALA 167 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2qtp s ALA 167 CO 0.03 0.33 0.11 0.08 0.00 0.00 0.00 175.76 176.31 2qtp s VAL 168 N -1.37 0.05 0.18 0.00 1.01 -0.44 -1.43 120.40 118.41 2qtp s VAL 168 Ca 0.08 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.75 2qtp s VAL 168 Cb -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2qtp s VAL 168 CO 0.05 -0.23 -0.22 0.42 0.00 0.00 0.00 175.10 175.12 2qtp s THR 169 N -0.76 2.49 -0.04 3.92 -4.23 -0.76 -0.88 115.64 115.36 2qtp s THR 169 Ca -0.08 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2qtp s THR 169 Cb -0.05 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.62 2qtp s THR 169 CO 0.01 -0.09 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.34 2qtp s ASP 170 N -2.64 0.88 0.00 3.99 2.15 0.34 -1.02 116.67 120.38 2qtp s ASP 170 Ca 0.21 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.09 2qtp s ASP 170 Cb -0.08 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.15 2qtp s ASP 170 CO 0.10 -0.08 0.00 -0.24 -0.17 0.00 0.00 175.17 174.78