#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsp n LYS 2 N 0.00 -0.78 -1.67 2.12 4.81 -1.26 -4.79 118.16 116.59 1vsp n LYS 2 Ca 0.00 -0.10 -0.33 0.00 -0.87 0.00 0.00 58.31 57.01 1vsp n LYS 2 Cb 0.00 -1.29 0.06 0.00 0.02 0.00 0.00 35.03 33.82 1vsp n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1vsp s VAL 3 N -3.99 3.02 0.23 3.15 0.11 -1.26 -4.75 120.40 116.90 1vsp s VAL 3 Ca 0.14 0.48 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 1vsp s VAL 3 Cb -0.08 -3.00 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1vsp s VAL 3 CO 0.51 -0.29 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.23 1vsp s ILE 4 N -2.26 1.80 0.30 7.04 1.09 -1.11 -3.79 121.20 124.27 1vsp s ILE 4 Ca 0.69 -2.21 0.02 0.00 -1.10 0.00 0.00 60.65 58.05 1vsp s ILE 4 Cb -0.22 -2.17 -0.05 0.00 -1.06 0.00 0.00 42.46 38.95 1vsp s ILE 4 CO 0.42 -0.50 0.10 -0.76 -0.10 0.00 0.00 174.94 174.10 1vsp s LEU 5 N -3.37 1.83 -0.13 2.97 2.01 -1.24 -1.12 118.68 119.62 1vsp s LEU 5 Ca 0.25 -1.44 -0.14 0.00 0.01 0.00 0.00 54.13 52.80 1vsp s LEU 5 Cb -0.00 -0.07 -0.05 0.00 0.01 0.00 0.00 46.19 46.08 1vsp s LEU 5 CO 0.09 -0.75 -0.28 -0.11 1.01 0.00 0.00 176.35 176.31 1vsp n LEU 6 N -0.59 1.67 -0.16 1.79 0.00 -1.21 -2.50 117.00 115.99 1vsp n LEU 6 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1vsp n LEU 6 Cb 0.66 -0.67 0.00 0.00 0.00 0.00 0.00 43.42 43.41 1vsp n LEU 6 CO 0.38 -0.34 0.16 -1.84 0.00 0.00 0.00 177.39 175.75 1vsp n GLU 7 N -4.18 0.00 0.00 1.96 0.28 -1.26 0.18 120.64 117.62 1vsp n GLU 7 Ca -0.11 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 1vsp n GLU 7 Cb 0.42 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1vsp n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1vsp n PRO 8 N 0.00 0.00 -0.84 3.44 -0.04 -1.26 -4.32 135.00 131.98 1vsp n PRO 8 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1vsp n PRO 8 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1vsp n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1vsp n LEU 9 N 0.00 -0.44 0.00 1.53 0.00 -1.26 -2.83 117.00 114.01 1vsp n LEU 9 Ca 0.00 0.97 0.08 0.00 0.00 0.00 0.00 56.01 57.06 1vsp n LEU 9 Cb 0.00 -2.59 0.45 0.00 0.00 0.00 0.00 43.42 41.28 1vsp n LEU 9 CO 0.00 -2.16 0.69 -0.62 0.00 0.00 0.00 177.39 175.29 1vsp n GLU 10 N -3.05 0.42 0.00 1.96 -0.58 -1.26 -4.68 120.64 113.45 1vsp n GLU 10 Ca -0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1vsp n GLU 10 Cb 0.39 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1vsp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1vsp n ASN 11 N -1.07 0.00 -3.91 1.62 5.15 -1.24 -5.16 115.26 110.65 1vsp n ASN 11 Ca 0.11 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.91 1vsp n ASN 11 Cb 0.07 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.17 1vsp n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1vsp s LEU 12 N 0.00 1.54 0.00 1.20 0.05 -1.13 -4.64 118.68 115.70 1vsp s LEU 12 Ca 0.00 -0.10 -0.22 0.00 0.05 0.00 0.00 54.13 53.86 1vsp s LEU 12 Cb 0.00 -0.36 -0.19 0.00 -2.05 0.00 0.00 46.19 43.59 1vsp s LEU 12 CO 0.00 -0.02 1.19 1.23 -0.55 0.00 0.00 176.35 178.21 1vsp h GLY 13 N 6.79 0.34 1.17 -3.48 0.00 -1.61 -3.33 103.07 102.95 1vsp h GLY 13 Ca -0.36 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1vsp h GLY 13 CO 0.49 0.41 0.07 2.09 0.00 0.00 0.00 176.54 179.59 1vsp n ASP 14 N -4.47 0.00 0.00 0.19 3.85 0.47 -0.21 116.55 116.38 1vsp n ASP 14 Ca -0.08 0.21 0.08 0.00 -0.71 0.00 0.00 54.79 54.29 1vsp n ASP 14 Cb 0.47 -0.21 0.36 0.00 -1.35 0.00 0.00 41.12 40.39 1vsp n ASP 14 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1vsp n VAL 15 N -1.16 0.73 -2.38 2.12 3.14 -1.25 -4.86 118.33 114.67 1vsp n VAL 15 Ca 0.00 0.18 -0.04 0.00 -2.96 0.00 0.00 64.34 61.52 1vsp n VAL 15 Cb 0.07 -0.92 0.02 0.00 -1.06 0.00 0.00 33.84 31.95 1vsp n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vsp n GLY 16 N 0.06 0.33 3.59 7.55 0.00 0.70 -4.93 105.19 112.48 1vsp n GLY 16 Ca 0.06 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1vsp n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vsp s GLN 17 N -4.46 3.07 -0.63 1.61 -1.52 -1.13 -4.86 119.66 111.74 1vsp s GLN 17 Ca 0.02 1.45 0.05 0.00 -1.95 0.00 0.00 55.36 54.93 1vsp s GLN 17 Cb -0.01 -4.30 0.29 0.00 -0.22 0.00 0.00 33.01 28.77 1vsp s GLN 17 CO 0.16 -2.18 0.87 0.28 -0.25 0.00 0.00 175.29 174.18 1vsp n VAL 18 N 7.52 2.83 -3.85 1.09 0.31 -1.25 -2.75 118.33 122.23 1vsp n VAL 18 Ca 0.25 -5.42 -0.21 0.00 -0.01 0.00 0.00 64.34 58.96 1vsp n VAL 18 Cb 0.48 -1.77 -0.17 0.00 -0.91 0.00 0.00 33.84 31.46 1vsp n VAL 18 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1vsp s VAL 19 N -3.43 0.28 0.00 2.52 -7.23 -1.25 -5.00 120.40 106.29 1vsp s VAL 19 Ca 0.44 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 1vsp s VAL 19 Cb 0.21 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.73 1vsp s VAL 19 CO -0.07 0.22 0.00 -0.67 -0.31 0.00 0.00 175.10 174.27 1vsp n ASP 20 N 4.78 0.00 -4.63 4.85 -0.08 -1.26 -4.78 116.55 115.43 1vsp n ASP 20 Ca -0.13 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.83 1vsp n ASP 20 Cb 0.50 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.89 1vsp n ASP 20 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1vsp s VAL 21 N 0.00 1.00 0.35 5.18 -7.23 -1.26 -4.96 120.40 113.48 1vsp s VAL 21 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1vsp s VAL 21 Cb 0.00 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1vsp s VAL 21 CO 0.00 0.00 0.10 -1.59 -0.31 0.00 0.00 175.10 173.30 1vsp s LYS 22 N -3.84 1.73 0.00 4.82 -2.85 -1.26 -3.28 119.74 115.06 1vsp s LYS 22 Ca 0.08 -2.00 0.00 0.00 -1.00 0.00 0.00 55.97 53.05 1vsp s LYS 22 Cb 0.01 -0.61 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 1vsp s LYS 22 CO 0.05 -0.35 0.00 -0.35 0.10 0.00 0.00 175.35 174.80 1vsp n PRO 23 N -0.74 0.00 0.00 1.78 -0.04 -1.26 -4.63 135.00 130.11 1vsp n PRO 23 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1vsp n PRO 23 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 1vsp n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsp n GLY 24 N 3.95 1.19 0.00 0.55 0.00 -1.26 -3.79 105.19 105.83 1vsp n GLY 24 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1vsp n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vsp n TYR 25 N 0.00 0.00 0.00 1.61 4.01 -1.26 -2.55 117.16 118.97 1vsp n TYR 25 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1vsp n TYR 25 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1vsp n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vsp n ALA 26 N -1.71 0.00 -0.41 -0.72 0.00 -1.25 0.45 120.51 116.87 1vsp n ALA 26 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.79 1vsp n ALA 26 Cb 0.00 0.07 0.67 0.00 0.00 0.00 0.00 19.45 20.19 1vsp n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsp h ARG 27 N 0.00 0.12 -0.56 0.00 -0.00 -1.87 -1.99 114.38 110.08 1vsp h ARG 27 Ca 0.00 -0.01 -0.39 0.00 -0.50 0.00 0.00 59.98 59.08 1vsp h ARG 27 Cb 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 29.97 29.67 1vsp h ARG 27 CO 0.00 0.08 -0.44 0.27 0.00 0.00 0.00 179.97 179.88 1vsp n ASN 28 N -4.39 4.17 0.00 7.04 0.23 -0.00 -4.69 115.26 117.62 1vsp n ASN 28 Ca 0.31 -3.79 0.00 0.00 -0.53 0.00 0.00 54.58 50.56 1vsp n ASN 28 Cb 1.30 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 1vsp n ASN 28 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vsp n TYR 29 N -0.89 0.00 0.52 -2.53 9.36 0.17 -4.80 117.16 118.99 1vsp n TYR 29 Ca 0.39 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.66 1vsp n TYR 29 Cb 0.90 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 39.85 1vsp n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1vsp n LEU 30 N 0.00 0.00 -0.06 2.98 4.77 -1.04 -2.27 117.00 121.38 1vsp n LEU 30 Ca 0.00 0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1vsp n LEU 30 Cb 0.00 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1vsp n LEU 30 CO 0.00 -0.03 -0.91 -0.11 -1.33 0.00 0.00 177.39 175.02 1vsp n LEU 31 N -1.04 2.81 -0.34 2.23 -0.00 -0.79 -1.61 117.00 118.27 1vsp n LEU 31 Ca 0.06 -0.05 0.34 0.00 -0.00 0.00 0.00 56.01 56.37 1vsp n LEU 31 Cb 0.03 -0.43 0.72 0.00 -0.00 0.00 0.00 43.42 43.75 1vsp n LEU 31 CO 0.05 0.67 1.32 -0.65 -0.00 0.00 0.00 177.39 178.77 1vsp h PRO 32 N -0.04 0.05 0.00 1.96 0.11 -1.58 -3.10 132.00 129.40 1vsp h PRO 32 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1vsp h PRO 32 Cb 1.41 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1vsp h PRO 32 CO -0.06 0.03 -0.43 2.89 -0.21 0.00 0.00 178.00 180.23 1vsp n ARG 33 N -4.24 0.24 0.00 1.05 -4.01 -1.10 -5.10 116.66 103.50 1vsp n ARG 33 Ca 0.26 0.13 0.00 0.00 -1.04 0.00 0.00 57.85 57.21 1vsp n ARG 33 Cb 1.23 -0.96 0.00 0.00 -3.04 0.00 0.00 32.46 29.69 1vsp n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1vsp n GLY 34 N 1.51 1.12 0.00 2.89 0.00 -0.63 -5.09 105.19 104.99 1vsp n GLY 34 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1vsp n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vsp n LEU 35 N 0.00 0.00 -4.75 0.99 -0.00 -1.12 -5.00 117.00 107.12 1vsp n LEU 35 Ca 0.00 -0.18 -0.24 0.00 -0.00 0.00 0.00 56.01 55.59 1vsp n LEU 35 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1vsp n LEU 35 CO 0.00 0.26 -0.16 0.00 -0.00 0.00 0.00 177.39 177.49 1vsp s ALA 36 N 0.00 3.60 -1.18 1.96 0.00 -1.26 -3.36 121.76 121.51 1vsp s ALA 36 Ca 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 51.96 49.78 1vsp s ALA 36 Cb 0.00 -0.51 0.16 0.00 0.00 0.00 0.00 23.12 22.77 1vsp s ALA 36 CO 0.00 -0.12 1.42 0.08 0.00 0.00 0.00 175.76 177.14 1vsp s VAL 37 N -2.55 4.92 0.00 0.00 1.01 -0.28 -4.77 120.40 118.73 1vsp s VAL 37 Ca 0.41 -2.44 0.00 0.00 0.00 0.00 0.00 61.98 59.94 1vsp s VAL 37 Cb 0.02 -4.92 0.00 0.00 0.00 0.00 0.00 36.38 31.48 1vsp s VAL 37 CO 0.23 -1.64 0.00 0.18 0.00 0.00 0.00 175.10 173.87 1vsp n LEU 38 N 5.98 0.00 0.17 3.92 4.32 -1.26 -3.08 117.00 127.06 1vsp n LEU 38 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 1vsp n LEU 38 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1vsp n LEU 38 CO 0.62 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.79 1vsp n ALA 39 N -1.98 0.81 0.00 -1.18 0.00 -1.26 -4.60 120.51 112.30 1vsp n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vsp n THR 40 N -3.26 0.00 -0.01 0.00 5.66 -1.26 -4.82 114.28 110.59 1vsp n THR 40 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1vsp n THR 40 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1vsp n THR 40 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1vsp h GLU 41 N 0.00 0.17 0.00 1.09 4.39 -2.00 -2.84 114.58 115.39 1vsp h GLU 41 Ca 0.00 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1vsp h GLU 41 Cb 0.00 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1vsp h GLU 41 CO 0.00 1.09 -0.04 1.03 -1.16 0.00 0.00 179.01 179.93 1vsp h SER 42 N -0.62 0.00 -0.22 1.42 0.87 -2.02 0.59 113.55 113.56 1vsp h SER 42 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1vsp h SER 42 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1vsp h SER 42 CO 0.08 0.04 0.00 0.59 -0.53 0.00 0.00 176.83 177.00 1vsp n ASN 43 N -3.31 2.56 0.00 6.23 5.03 -1.24 -2.92 115.26 121.60 1vsp n ASN 43 Ca -0.02 -1.85 -0.17 0.00 0.87 0.00 0.00 54.58 53.41 1vsp n ASN 43 Cb 0.18 -0.14 -0.11 0.00 -1.02 0.00 0.00 39.78 38.69 1vsp n ASN 43 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1vsp h LEU 44 N 3.49 0.54 0.12 3.41 7.12 0.45 -2.91 115.31 127.54 1vsp h LEU 44 Ca 0.00 -0.75 -0.16 0.00 0.13 0.00 0.00 57.88 57.10 1vsp h LEU 44 Cb 0.76 -0.16 0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1vsp h LEU 44 CO 0.00 1.22 -0.70 0.50 -0.13 0.00 0.00 178.44 179.33 1vsp h LYS 45 N -0.08 0.26 0.00 1.25 3.11 -1.67 -1.25 116.57 118.19 1vsp h LYS 45 Ca -0.07 -0.44 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 1vsp h LYS 45 Cb 1.30 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.70 1vsp h LYS 45 CO 0.12 1.21 0.40 0.00 -2.81 0.00 0.00 179.45 178.37 1vsp h ALA 46 N 0.07 1.34 0.00 5.00 0.00 -1.66 0.51 119.26 124.51 1vsp h ALA 46 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 1vsp h ALA 46 Cb 1.55 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1vsp h ALA 46 CO 0.13 -0.34 -1.96 1.47 0.00 0.00 0.00 179.25 178.55 1vsp n LEU 47 N -2.38 1.13 0.16 0.00 -0.00 -1.10 -4.51 117.00 110.31 1vsp n LEU 47 Ca -0.01 -0.04 0.13 0.00 -0.00 0.00 0.00 56.01 56.10 1vsp n LEU 47 Cb 0.43 -0.02 0.53 0.00 -0.00 0.00 0.00 43.42 44.36 1vsp n LEU 47 CO 0.08 0.51 0.89 -0.08 -0.00 0.00 0.00 177.39 178.79 1vsp h GLU 48 N 0.00 0.00 0.00 1.47 4.81 0.32 -2.71 114.58 118.47 1vsp h GLU 48 Ca -0.38 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 1vsp h GLU 48 Cb 1.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1vsp h GLU 48 CO -0.01 0.00 -0.22 0.00 -0.73 0.00 0.00 179.01 178.05 1vsp h ALA 49 N 2.22 1.02 -0.12 2.92 0.00 -1.53 -2.95 119.26 120.81 1vsp h ALA 49 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1vsp h ALA 49 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vsp h ALA 49 CO 0.00 0.27 -0.45 0.00 0.00 0.00 0.00 179.25 179.07 1vsp h ARG 50 N 0.00 0.29 0.00 0.00 3.08 -1.75 -1.98 114.38 114.02 1vsp h ARG 50 Ca -0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1vsp h ARG 50 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1vsp h ARG 50 CO 0.03 0.69 -0.00 0.82 -1.07 0.00 0.00 179.97 180.44 1vsp h ILE 51 N 0.24 0.03 0.00 2.04 2.04 -1.67 0.10 117.51 120.29 1vsp h ILE 51 Ca 0.02 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1vsp h ILE 51 Cb 0.89 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1vsp h ILE 51 CO 0.07 0.00 -1.12 0.03 0.00 0.00 0.00 178.15 177.14 1vsp h ARG 52 N 0.00 0.00 -0.92 2.37 2.47 -1.46 -3.11 114.38 113.73 1vsp h ARG 52 Ca -0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1vsp h ARG 52 Cb 0.05 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.33 1vsp h ARG 52 CO 0.00 0.13 0.61 0.00 0.56 0.00 0.00 179.97 181.26 1vsp h ALA 53 N 1.76 1.17 0.01 0.04 0.00 -0.77 -1.56 119.26 119.91 1vsp h ALA 53 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vsp h ALA 53 Cb 1.24 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1vsp h ALA 53 CO 0.02 0.55 -0.00 0.37 0.00 0.00 0.00 179.25 180.19 1vsp h GLN 54 N 1.24 -0.01 -0.52 0.00 4.15 -1.62 -3.12 115.11 115.22 1vsp h GLN 54 Ca 0.34 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.77 1vsp h GLN 54 Cb -0.13 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1vsp h GLN 54 CO -0.08 0.45 0.34 0.00 -1.93 0.00 0.00 178.83 177.62 1vsp h ALA 55 N 0.50 0.66 -0.07 3.38 0.00 -1.46 -0.38 119.26 121.89 1vsp h ALA 55 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1vsp h ALA 55 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1vsp h ALA 55 CO 0.00 0.10 -0.20 1.57 0.00 0.00 0.00 179.25 180.72 1vsp h LYS 56 N 0.70 0.12 -0.02 0.00 2.10 -1.39 -0.79 116.57 117.29 1vsp h LYS 56 Ca 0.19 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1vsp h LYS 56 Cb -0.07 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1vsp h LYS 56 CO -0.04 0.32 0.00 0.54 -2.00 0.00 0.00 179.45 178.27 1vsp n ARG 57 N -4.25 1.51 0.08 0.07 3.00 -0.86 -2.95 116.66 113.25 1vsp n ARG 57 Ca -0.02 -0.74 -0.11 0.00 -0.01 0.00 0.00 57.85 56.97 1vsp n ARG 57 Cb 0.29 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 1vsp n ARG 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1vsp h LEU 58 N 1.78 0.40 -0.10 0.55 6.46 0.45 -3.08 115.31 121.77 1vsp h LEU 58 Ca 0.00 -0.32 -0.24 0.00 -0.12 0.00 0.00 57.88 57.19 1vsp h LEU 58 Cb 0.38 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1vsp h LEU 58 CO 0.00 1.13 -0.98 0.00 -0.62 0.00 0.00 178.44 177.97 1vsp h ALA 59 N 0.85 0.26 0.00 1.25 0.00 -1.48 -0.05 119.26 120.09 1vsp h ALA 59 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1vsp h ALA 59 Cb 1.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1vsp h ALA 59 CO 0.15 0.75 0.00 0.39 0.00 0.00 0.00 179.25 180.54 1vsp n GLU 60 N -3.81 0.65 0.06 0.00 -0.58 -1.15 -2.25 120.64 113.57 1vsp n GLU 60 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1vsp n GLU 60 Cb 0.85 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1vsp n GLU 60 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1vsp n ARG 61 N -0.79 0.00 0.00 3.49 0.63 -1.16 -3.98 116.66 114.85 1vsp n ARG 61 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1vsp n ARG 61 Cb 0.04 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.76 1vsp n ARG 61 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1vsp n LYS 62 N -3.17 0.35 0.00 -0.14 3.00 -0.04 -0.34 118.16 117.83 1vsp n LYS 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsp n LYS 62 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1vsp n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsp n ALA 63 N 0.03 0.31 0.28 3.14 0.00 -0.95 -4.57 120.51 118.75 1vsp n ALA 63 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1vsp n ALA 63 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1vsp n ALA 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vsp h GLU 64 N 0.00 -0.72 0.00 0.00 4.57 -1.25 -1.44 114.58 115.74 1vsp h GLU 64 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1vsp h GLU 64 Cb 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1vsp h GLU 64 CO 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 179.01 177.41 1vsp n ALA 65 N -2.63 1.36 0.04 2.92 0.00 0.54 -1.20 120.51 121.54 1vsp n ALA 65 Ca -0.11 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 1vsp n ALA 65 Cb 0.33 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1vsp n ALA 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vsp h GLU 66 N 0.00 0.69 0.00 0.00 4.39 -1.60 0.57 114.58 118.63 1vsp h GLU 66 Ca 0.00 -0.72 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1vsp h GLU 66 Cb 0.15 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1vsp h GLU 66 CO 0.00 1.30 0.00 2.89 -1.16 0.00 0.00 179.01 182.04 1vsp n ARG 67 N -3.85 0.09 -0.12 2.33 1.85 -0.34 -2.16 116.66 114.45 1vsp n ARG 67 Ca -0.10 0.41 -0.26 0.00 -1.00 0.00 0.00 57.85 56.91 1vsp n ARG 67 Cb 0.86 -1.70 -0.11 0.00 -1.05 0.00 0.00 32.46 30.46 1vsp n ARG 67 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1vsp n LEU 68 N -1.87 2.19 -3.67 2.89 4.77 -1.10 -3.95 117.00 116.26 1vsp n LEU 68 Ca 0.02 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 1vsp n LEU 68 Cb 0.14 -0.88 -0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1vsp n LEU 68 CO 0.13 0.62 2.47 1.17 -1.33 0.00 0.00 177.39 180.45 1vsp n LYS 69 N -4.03 3.60 0.00 3.23 0.00 0.20 -3.04 118.16 118.12 1vsp n LYS 69 Ca -0.48 -3.05 0.00 0.00 0.00 0.00 0.00 58.31 54.79 1vsp n LYS 69 Cb 0.88 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1vsp n LYS 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1vsp n GLU 70 N 4.04 0.00 0.00 1.64 0.00 -1.15 -4.77 120.64 120.40 1vsp n GLU 70 Ca 0.54 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.77 1vsp n GLU 70 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.74 1vsp n GLU 70 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1vsp n ILE 71 N 0.00 0.00 0.23 6.31 0.13 -1.25 -4.44 119.36 120.34 1vsp n ILE 71 Ca 0.00 -0.29 0.11 0.00 -1.10 0.00 0.00 62.75 61.47 1vsp n ILE 71 Cb 0.00 1.13 -0.06 0.00 -0.84 0.00 0.00 39.64 39.87 1vsp n ILE 71 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1vsp n LEU 72 N -0.50 0.49 -0.03 9.51 4.77 -1.17 -4.27 117.00 125.80 1vsp n LEU 72 Ca 0.05 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1vsp n LEU 72 Cb 0.29 -0.05 0.28 0.00 -2.33 0.00 0.00 43.42 41.61 1vsp n LEU 72 CO 0.22 -0.04 0.95 -0.33 -1.33 0.00 0.00 177.39 176.85 1vsp h GLU 73 N 0.00 0.59 -0.86 3.23 4.39 -1.80 -2.70 114.58 117.42 1vsp h GLU 73 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1vsp h GLU 73 Cb 0.90 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1vsp h GLU 73 CO 0.00 0.59 0.00 0.09 -1.16 0.00 0.00 179.01 178.53 1vsp n ASN 74 N -4.28 0.78 -3.88 1.42 3.02 -1.26 -4.65 115.26 106.40 1vsp n ASN 74 Ca 0.02 -0.89 -0.11 0.00 -0.03 0.00 0.00 54.58 53.56 1vsp n ASN 74 Cb 0.24 -0.22 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1vsp n ASN 74 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vsp s LEU 75 N 0.00 1.92 -0.06 3.41 1.43 -1.02 -5.15 118.68 119.21 1vsp s LEU 75 Ca 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1vsp s LEU 75 Cb 0.00 0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.39 1vsp s LEU 75 CO 0.00 -0.09 -0.10 0.28 0.23 0.00 0.00 176.35 176.67 1vsp s THR 76 N -0.35 0.97 0.19 5.49 -1.32 -1.26 -4.43 115.64 114.93 1vsp s THR 76 Ca -0.04 -0.38 -0.32 0.00 -1.21 0.00 0.00 61.69 59.75 1vsp s THR 76 Cb -0.03 -0.91 -0.11 0.00 -1.51 0.00 0.00 72.50 69.94 1vsp s THR 76 CO -0.00 0.32 1.74 -0.22 -2.21 0.00 0.00 174.62 174.25 1vsp s LEU 77 N 0.78 4.38 -0.30 9.08 1.98 -1.12 -4.72 118.68 128.76 1vsp s LEU 77 Ca -0.13 2.83 -0.11 0.00 -2.89 0.00 0.00 54.13 53.83 1vsp s LEU 77 Cb -0.15 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.07 1vsp s LEU 77 CO 0.02 -0.97 0.19 0.42 -1.89 0.00 0.00 176.35 174.12 1vsp s THR 78 N 1.54 5.15 -0.07 3.68 -4.23 -1.26 0.52 115.64 120.97 1vsp s THR 78 Ca 0.76 -0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.20 1vsp s THR 78 Cb -0.49 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 69.87 1vsp s THR 78 CO 0.33 0.16 0.17 -0.51 -0.54 0.00 0.00 174.62 174.23 1vsp s ILE 79 N 1.72 -0.04 0.73 2.99 1.10 -1.12 -4.96 121.20 121.62 1vsp s ILE 79 Ca 0.06 0.14 -0.11 0.00 -0.51 0.00 0.00 60.65 60.23 1vsp s ILE 79 Cb -0.16 -0.27 0.03 0.00 0.15 0.00 0.00 42.46 42.21 1vsp s ILE 79 CO 0.10 0.06 1.08 -2.16 -2.11 0.00 0.00 174.94 171.90 1vsp s PRO 80 N 0.98 2.62 0.00 3.50 0.04 -1.26 0.98 135.00 141.86 1vsp s PRO 80 Ca -0.07 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1vsp s PRO 80 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1vsp s PRO 80 CO -0.05 -1.35 0.00 1.33 0.04 0.00 0.00 177.00 176.96 1vsp n VAL 81 N -3.24 0.00 0.00 -0.36 0.24 -1.11 -4.84 118.33 109.02 1vsp n VAL 81 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1vsp n VAL 81 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1vsp n VAL 81 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1vsp n ARG 82 N -0.13 0.00 -2.00 7.34 0.63 -1.26 -4.84 116.66 116.40 1vsp n ARG 82 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1vsp n ARG 82 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1vsp n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vsp n ALA 83 N -1.50 -3.13 -1.97 5.13 0.00 -1.26 -4.08 120.51 113.70 1vsp n ALA 83 Ca 0.00 1.06 -0.25 0.00 0.00 0.00 0.00 53.44 54.25 1vsp n ALA 83 Cb 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.23 1vsp n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1vsp s GLY 84 N -0.36 -0.06 0.00 0.00 0.00 -1.26 -4.50 107.32 101.14 1vsp s GLY 84 Ca -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.88 1vsp s GLY 84 CO 0.32 3.68 0.00 1.18 0.00 0.00 0.00 173.10 178.27 1vsp n GLU 85 N 8.52 0.00 -0.13 2.90 1.02 -1.26 -5.04 120.64 126.65 1vsp n GLU 85 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1vsp n GLU 85 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1vsp n GLU 85 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1vsp n THR 86 N 0.00 0.00 0.00 2.62 5.66 -1.26 -5.01 114.28 116.29 1vsp n THR 86 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vsp n THR 86 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vsp n THR 86 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1vsp n LYS 87 N 0.00 0.10 0.00 1.09 5.02 -1.26 -2.40 118.16 120.71 1vsp n LYS 87 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsp n LYS 87 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1vsp n LYS 87 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1vsp n ILE 88 N 0.00 0.00 -0.26 -0.18 3.06 -1.26 -4.67 119.36 116.05 1vsp n ILE 88 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1vsp n ILE 88 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1vsp n ILE 88 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vsp n TYR 89 N 0.00 0.00 0.03 9.51 4.11 -1.26 -4.56 117.16 124.99 1vsp n TYR 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1vsp n TYR 89 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 1vsp n TYR 89 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1vsp n GLY 90 N 0.00 -0.05 0.00 -7.48 0.00 -1.26 -5.17 105.19 91.23 1vsp n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsp n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsp n SER 91 N -3.02 -0.22 -4.04 1.61 3.41 -1.26 -5.16 113.62 104.94 1vsp n SER 91 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1vsp n SER 91 Cb 0.21 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 1vsp n SER 91 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1vsp s VAL 92 N -0.38 0.06 0.00 -3.33 -7.23 -1.26 -5.08 120.40 103.18 1vsp s VAL 92 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1vsp s VAL 92 Cb 0.00 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1vsp s VAL 92 CO 0.00 -0.26 0.00 1.07 -0.31 0.00 0.00 175.10 175.60 1vsp n THR 93 N -0.21 0.00 0.00 5.32 5.66 -1.26 -3.31 114.28 120.48 1vsp n THR 93 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1vsp n THR 93 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1vsp n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vsp n ALA 94 N -3.00 0.00 -0.94 1.79 0.00 -1.26 -1.56 120.51 115.54 1vsp n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vsp n LYS 95 N -2.49 0.00 0.25 0.00 2.85 -1.26 -0.92 118.16 116.59 1vsp n LYS 95 Ca 0.00 0.48 0.17 0.00 -1.05 0.00 0.00 58.31 57.91 1vsp n LYS 95 Cb 0.00 -1.03 0.78 0.00 -0.65 0.00 0.00 35.03 34.13 1vsp n LYS 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1vsp h ASP 96 N 0.00 0.00 1.00 -5.58 5.19 -1.70 -1.90 116.42 113.43 1vsp h ASP 96 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1vsp h ASP 96 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1vsp h ASP 96 CO 0.00 0.00 -0.85 0.16 -3.12 0.00 0.00 179.24 175.43 1vsp h ILE 97 N 0.00 1.53 0.10 0.35 3.07 -1.20 -3.04 117.51 118.33 1vsp h ILE 97 Ca 0.00 -2.99 0.01 0.00 1.55 0.00 0.00 64.86 63.43 1vsp h ILE 97 Cb 0.26 2.65 -0.02 0.00 -0.27 0.00 0.00 36.82 39.43 1vsp h ILE 97 CO 0.00 0.83 -0.17 0.00 -1.05 0.00 0.00 178.15 177.77 1vsp h ALA 98 N 1.15 -0.28 -0.48 0.16 0.00 -0.18 -2.96 119.26 116.67 1vsp h ALA 98 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1vsp h ALA 98 Cb 1.58 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 1vsp h ALA 98 CO 0.11 -0.69 -0.42 0.93 0.00 0.00 0.00 179.25 179.18 1vsp h GLU 99 N -0.33 -0.27 -0.53 0.00 3.07 -1.51 -2.79 114.58 112.22 1vsp h GLU 99 Ca 0.02 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1vsp h GLU 99 Cb 0.34 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.21 1vsp h GLU 99 CO -0.09 -0.18 -0.38 0.00 -1.40 0.00 0.00 179.01 176.96 1vsp h ALA 100 N 0.54 -0.22 -0.90 3.43 0.00 -1.40 0.27 119.26 120.99 1vsp h ALA 100 Ca 0.16 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.39 1vsp h ALA 100 Cb 0.57 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 1vsp h ALA 100 CO -0.62 -0.76 0.43 -0.07 0.00 0.00 0.00 179.25 178.23 1vsp h LEU 101 N -0.22 0.43 0.48 0.00 -0.00 -1.45 -2.84 115.31 111.71 1vsp h LEU 101 Ca 0.19 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 1vsp h LEU 101 Cb 0.56 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1vsp h LEU 101 CO -0.65 0.08 -0.23 0.28 -0.00 0.00 0.00 178.44 177.92 1vsp h SER 102 N 0.49 -0.54 0.42 -0.43 0.02 0.39 -0.56 113.55 113.34 1vsp h SER 102 Ca 0.54 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.37 1vsp h SER 102 Cb 0.97 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1vsp h SER 102 CO -0.48 -0.30 -1.71 -2.11 -1.14 0.00 0.00 176.83 171.10 1vsp n ARG 103 N -4.21 0.64 -0.05 3.45 -4.01 -1.00 -2.93 116.66 108.54 1vsp n ARG 103 Ca -0.08 0.06 -0.21 0.00 -1.04 0.00 0.00 57.85 56.58 1vsp n ARG 103 Cb 0.25 -1.68 -0.13 0.00 -3.04 0.00 0.00 32.46 27.86 1vsp n ARG 103 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1vsp h GLN 104 N 0.00 0.12 0.04 2.89 4.15 -1.72 -3.39 115.11 117.20 1vsp h GLN 104 Ca -0.18 -0.21 -0.29 0.00 0.77 0.00 0.00 58.65 58.74 1vsp h GLN 104 Cb 1.51 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.24 1vsp h GLN 104 CO 0.03 1.10 -1.58 0.45 -1.93 0.00 0.00 178.83 176.90 1vsp h HIS 105 N -0.58 0.15 0.00 3.99 3.86 -1.59 -3.49 115.15 117.49 1vsp h HIS 105 Ca -0.34 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1vsp h HIS 105 Cb 1.57 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.04 1vsp h HIS 105 CO 0.11 1.17 0.00 0.41 0.86 0.00 0.00 177.93 180.48 1vsp n GLY 106 N 1.59 0.82 3.18 2.45 0.00 -1.10 -5.05 105.19 107.08 1vsp n GLY 106 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1vsp n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vsp s ILE 107 N -2.00 3.57 -0.81 -0.61 2.07 -0.24 -4.90 121.20 118.28 1vsp s ILE 107 Ca 0.00 -1.71 -0.23 0.00 -1.41 0.00 0.00 60.65 57.30 1vsp s ILE 107 Cb 0.00 -3.28 -0.16 0.00 0.13 0.00 0.00 42.46 39.15 1vsp s ILE 107 CO 0.00 -0.53 1.91 0.41 -1.91 0.00 0.00 174.94 174.82 1vsp n THR 108 N 4.71 1.76 -0.83 4.00 -1.04 -1.26 -1.75 114.28 119.88 1vsp n THR 108 Ca -0.07 -1.59 -0.29 0.00 -2.04 0.00 0.00 64.05 60.05 1vsp n THR 108 Cb 0.42 -2.28 0.20 0.00 -1.82 0.00 0.00 70.33 66.85 1vsp n THR 108 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1vsp s ILE 109 N 6.08 2.21 -1.04 12.58 -1.09 -1.26 -4.96 121.20 133.73 1vsp s ILE 109 Ca 0.60 0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 59.03 1vsp s ILE 109 Cb 0.12 -2.29 0.27 0.00 -1.58 0.00 0.00 42.46 38.99 1vsp s ILE 109 CO 0.13 -0.09 1.13 -0.67 -1.23 0.00 0.00 174.94 174.21 1vsp n ASP 110 N -4.43 5.41 -3.14 3.58 -0.08 -1.26 -4.94 116.55 111.69 1vsp n ASP 110 Ca 0.06 -3.19 -0.31 0.00 -1.51 0.00 0.00 54.79 49.84 1vsp n ASP 110 Cb 0.54 -1.24 -0.04 0.00 2.34 0.00 0.00 41.12 42.73 1vsp n ASP 110 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1vsp n PRO 111 N 2.10 3.03 0.00 -0.67 -0.02 -1.26 -2.80 135.00 135.39 1vsp n PRO 111 Ca 0.24 -1.84 0.00 0.00 -2.02 0.00 0.00 63.50 59.88 1vsp n PRO 111 Cb 0.37 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1vsp n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vsp n LYS 112 N 3.65 0.00 0.01 -0.52 5.02 -1.26 -4.76 118.16 120.30 1vsp n LYS 112 Ca 0.65 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 57.05 1vsp n LYS 112 Cb 0.26 -0.12 -0.10 0.00 -0.02 0.00 0.00 35.03 35.06 1vsp n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vsp n ARG 113 N 0.00 0.46 -0.51 1.97 1.74 -1.12 -5.01 116.66 114.18 1vsp n ARG 113 Ca 0.00 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 1vsp n ARG 113 Cb 0.06 -1.57 0.27 0.00 -1.02 0.00 0.00 32.46 30.20 1vsp n ARG 113 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1vsp s LEU 114 N -4.23 0.04 -0.48 0.55 0.05 -1.26 -3.05 118.68 110.30 1vsp s LEU 114 Ca -0.02 1.21 0.03 0.00 0.05 0.00 0.00 54.13 55.39 1vsp s LEU 114 Cb 0.14 -2.92 0.14 0.00 -2.05 0.00 0.00 46.19 41.50 1vsp s LEU 114 CO 0.87 -4.66 0.28 0.00 -0.55 0.00 0.00 176.35 172.28 1vsp s ALA 115 N -2.42 2.40 -0.21 1.48 0.00 -0.93 -4.54 121.76 117.55 1vsp s ALA 115 Ca 0.69 -2.80 0.01 0.00 0.00 0.00 0.00 51.96 49.86 1vsp s ALA 115 Cb -0.20 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1vsp s ALA 115 CO 0.62 -2.06 -0.16 -0.48 0.00 0.00 0.00 175.76 173.68 1vsp s LEU 116 N 0.05 2.56 -0.28 0.00 0.05 -1.26 -4.21 118.68 115.58 1vsp s LEU 116 Ca 0.20 -0.84 0.08 0.00 0.05 0.00 0.00 54.13 53.61 1vsp s LEU 116 Cb -0.20 -1.52 0.45 0.00 -2.05 0.00 0.00 46.19 42.88 1vsp s LEU 116 CO -0.03 -0.06 1.27 -1.84 -0.55 0.00 0.00 176.35 175.14 1vsp n GLU 117 N 4.58 2.66 -3.01 1.48 0.28 -1.26 -4.91 120.64 120.46 1vsp n GLU 117 Ca -0.19 -3.72 0.02 0.00 -0.16 0.00 0.00 57.16 53.11 1vsp n GLU 117 Cb 0.48 -2.00 -0.00 0.00 1.43 0.00 0.00 31.44 31.35 1vsp n GLU 117 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1vsp s LYS 118 N -3.45 0.48 0.25 3.44 0.00 -1.26 -5.15 119.74 114.06 1vsp s LYS 118 Ca 0.46 -0.09 -0.31 0.00 0.00 0.00 0.00 55.97 56.03 1vsp s LYS 118 Cb 0.40 0.07 -0.13 0.00 0.00 0.00 0.00 37.83 38.17 1vsp s LYS 118 CO -0.01 -0.72 1.45 -0.35 0.00 0.00 0.00 175.35 175.72 1vsp n PRO 119 N 4.22 2.17 -3.97 1.78 -0.04 -1.26 -4.99 135.00 132.91 1vsp n PRO 119 Ca 0.08 0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1vsp n PRO 119 Cb 0.60 -2.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1vsp n PRO 119 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1vsp s ILE 120 N -0.04 0.14 -0.16 0.52 2.07 -1.21 -5.02 121.20 117.51 1vsp s ILE 120 Ca 0.67 -1.18 -0.07 0.00 -1.41 0.00 0.00 60.65 58.66 1vsp s ILE 120 Cb -0.62 -0.84 -0.07 0.00 0.13 0.00 0.00 42.46 41.06 1vsp s ILE 120 CO 0.49 -0.65 -0.19 0.29 -1.91 0.00 0.00 174.94 172.97 1vsp n LYS 121 N 0.87 0.34 -0.10 3.50 5.02 -1.26 -4.19 118.16 122.33 1vsp n LYS 121 Ca -0.19 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1vsp n LYS 121 Cb 0.58 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1vsp n LYS 121 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1vsp n GLU 122 N -3.61 0.00 0.26 1.97 2.13 -1.01 -4.69 120.64 115.69 1vsp n GLU 122 Ca -0.31 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.41 1vsp n GLU 122 Cb 0.73 -0.10 -0.05 0.00 0.27 0.00 0.00 31.44 32.29 1vsp n GLU 122 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1vsp h LEU 123 N -0.20 -0.60 0.00 4.31 -0.00 -1.86 -3.37 115.31 113.59 1vsp h LEU 123 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1vsp h LEU 123 Cb 0.88 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1vsp h LEU 123 CO 0.00 -0.23 0.00 0.61 -0.00 0.00 0.00 178.44 178.82 1vsp n GLY 124 N -0.14 -1.37 0.00 0.83 0.00 -1.20 -4.43 105.19 98.89 1vsp n GLY 124 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1vsp n GLY 124 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1vsp n GLU 125 N 0.00 0.16 0.00 1.61 0.00 -1.25 0.27 120.64 121.43 1vsp n GLU 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1vsp n GLU 125 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1vsp n GLU 125 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1vsp n TYR 126 N 0.00 0.00 -4.74 -1.84 9.36 -1.19 -4.13 117.16 114.62 1vsp n TYR 126 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 1vsp n TYR 126 Cb 0.00 -0.15 -0.14 0.00 -0.63 0.00 0.00 39.34 38.42 1vsp n TYR 126 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1vsp s VAL 127 N -2.11 2.33 0.00 2.97 -7.23 -1.26 -3.00 120.40 112.10 1vsp s VAL 127 Ca 0.00 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1vsp s VAL 127 Cb 0.00 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1vsp s VAL 127 CO 0.00 0.30 0.00 0.00 -0.31 0.00 0.00 175.10 175.09 1vsp n LEU 128 N 1.54 0.00 -3.69 1.32 -0.00 -1.05 -5.02 117.00 110.10 1vsp n LEU 128 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 1vsp n LEU 128 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1vsp n LEU 128 CO 0.24 0.00 -0.04 -0.89 -0.00 0.00 0.00 177.39 176.70 1vsp s THR 129 N 1.65 -0.19 -0.05 1.47 2.01 -1.26 -3.50 115.64 115.77 1vsp s THR 129 Ca 0.00 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1vsp s THR 129 Cb 0.00 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1vsp s THR 129 CO 0.00 0.06 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.39 1vsp s TYR 130 N 1.72 2.74 -0.30 4.92 6.04 -0.56 -2.19 117.35 129.72 1vsp s TYR 130 Ca -0.06 -0.13 0.03 0.00 0.04 0.00 0.00 57.07 56.94 1vsp s TYR 130 Cb -0.10 -1.65 0.09 0.00 -1.04 0.00 0.00 41.96 39.26 1vsp s TYR 130 CO -0.11 0.21 0.01 0.21 -1.54 0.00 0.00 175.55 174.33 1vsp s LYS 131 N -0.73 1.51 0.00 4.97 2.47 -1.17 0.20 119.74 126.99 1vsp s LYS 131 Ca 0.11 -1.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.01 1vsp s LYS 131 Cb -0.11 -2.86 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 1vsp s LYS 131 CO 0.01 -0.83 0.00 -0.35 0.16 0.00 0.00 175.35 174.34 1vsp n PRO 132 N 4.44 0.00 -1.66 4.03 -0.04 -1.26 -4.21 135.00 136.30 1vsp n PRO 132 Ca -0.03 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.93 1vsp n PRO 132 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1vsp n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1vsp n HIS 133 N 0.00 2.05 -0.19 0.54 1.44 -1.26 -4.84 115.22 112.96 1vsp n HIS 133 Ca 0.00 0.35 0.10 0.00 -2.01 0.00 0.00 57.72 56.16 1vsp n HIS 133 Cb 0.00 -2.50 0.19 0.00 0.12 0.00 0.00 29.99 27.79 1vsp n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1vsp n PRO 134 N 4.47 -0.04 0.00 -1.40 -0.02 -1.26 -2.88 135.00 133.87 1vsp n PRO 134 Ca 0.21 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1vsp n PRO 134 Cb 0.23 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1vsp n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vsp n GLU 135 N -4.63 0.00 -4.12 -0.52 4.07 -1.26 -4.84 120.64 109.34 1vsp n GLU 135 Ca 0.14 0.03 -0.34 0.00 -0.06 0.00 0.00 57.16 56.94 1vsp n GLU 135 Cb 0.47 -0.85 -0.07 0.00 -0.06 0.00 0.00 31.44 30.93 1vsp n GLU 135 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1vsp s VAL 136 N -0.69 4.74 0.00 6.31 -7.23 -1.14 -5.12 120.40 117.27 1vsp s VAL 136 Ca 0.00 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1vsp s VAL 136 Cb 0.00 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1vsp s VAL 136 CO 0.00 0.41 0.00 -0.81 -0.31 0.00 0.00 175.10 174.39 1vsp n PRO 137 N 1.39 2.51 0.00 4.82 -0.04 -1.26 -4.20 135.00 138.22 1vsp n PRO 137 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1vsp n PRO 137 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1vsp n PRO 137 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vsp n ILE 138 N 0.00 0.00 -1.62 0.52 3.06 0.55 -4.40 119.36 117.47 1vsp n ILE 138 Ca 0.00 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.84 1vsp n ILE 138 Cb 0.00 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.19 1vsp n ILE 138 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vsp n GLN 139 N 0.00 1.36 -4.19 9.51 3.00 -1.20 -1.50 117.38 124.37 1vsp n GLN 139 Ca 0.00 0.49 -0.14 0.00 -0.01 0.00 0.00 57.00 57.34 1vsp n GLN 139 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 30.24 28.05 1vsp n GLN 139 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1vsp s LEU 140 N -0.74 2.44 -0.22 1.08 2.96 -1.23 -4.67 118.68 118.30 1vsp s LEU 140 Ca 0.64 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1vsp s LEU 140 Cb -0.54 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 1vsp s LEU 140 CO 0.56 -0.29 0.04 -0.54 -1.32 0.00 0.00 176.35 174.79 1vsp s LYS 141 N -3.06 3.65 0.08 1.98 1.02 -1.26 -2.52 119.74 119.62 1vsp s LYS 141 Ca 0.08 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1vsp s LYS 141 Cb -0.01 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1vsp s LYS 141 CO -0.00 -0.08 -0.08 0.08 -0.92 0.00 0.00 175.35 174.35 1vsp s VAL 142 N 1.27 0.74 0.05 3.17 1.01 -1.16 -2.80 120.40 122.68 1vsp s VAL 142 Ca 0.04 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1vsp s VAL 142 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1vsp s VAL 142 CO 0.02 -0.57 -0.10 -0.55 0.00 0.00 0.00 175.10 173.90 1vsp s SER 143 N -2.27 1.20 -0.75 3.32 0.15 0.18 -3.19 113.70 112.34 1vsp s SER 143 Ca 0.01 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1vsp s SER 143 Cb -0.03 -0.01 0.18 0.00 -1.71 0.00 0.00 66.02 64.45 1vsp s SER 143 CO -0.01 -0.12 0.58 -0.69 1.20 0.00 0.00 173.24 174.19 1vsp s VAL 144 N -1.22 3.66 0.46 4.45 1.01 0.78 -2.81 120.40 126.74 1vsp s VAL 144 Ca -0.05 -3.72 -0.25 0.00 0.00 0.00 0.00 61.98 57.96 1vsp s VAL 144 Cb -0.09 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 1vsp s VAL 144 CO 0.01 -0.99 1.37 0.52 0.00 0.00 0.00 175.10 176.01 1vsp n VAL 145 N 2.57 2.94 -1.70 2.92 0.31 0.28 -3.22 118.33 122.43 1vsp n VAL 145 Ca 0.16 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.61 1vsp n VAL 145 Cb 0.36 -1.74 0.06 0.00 -0.91 0.00 0.00 33.84 31.61 1vsp n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vsp n ALA 146 N -0.38 6.45 -1.72 3.52 0.00 -1.26 -2.74 120.51 124.38 1vsp n ALA 146 Ca 0.07 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1vsp n ALA 146 Cb 0.42 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1vsp n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1vsp n GLN 147 N -0.69 0.00 -0.86 0.00 -0.06 -1.26 -4.79 117.38 109.72 1vsp n GLN 147 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.57 1vsp n GLN 147 Cb 0.40 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.58 1vsp n GLN 147 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25