#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n GLN 2 N 0.00 0.00 -1.68 2.12 1.13 -1.26 -0.68 117.38 117.00 2i2t n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2i2t n GLN 2 Cb 0.00 -0.28 0.00 0.00 0.11 0.00 0.00 30.24 30.07 2i2t n GLN 2 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2i2t n VAL 3 N -0.16 -5.36 -3.62 5.09 0.24 -1.25 -4.23 118.33 109.03 2i2t n VAL 3 Ca 0.00 2.46 -0.36 0.00 -2.04 0.00 0.00 64.34 64.40 2i2t n VAL 3 Cb 0.00 -3.43 -0.07 0.00 -1.47 0.00 0.00 33.84 28.87 2i2t n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2i2t s ILE 4 N -3.70 5.35 0.81 1.34 1.09 0.16 -3.38 121.20 122.86 2i2t s ILE 4 Ca 0.00 0.41 -0.14 0.00 -1.10 0.00 0.00 60.65 59.83 2i2t s ILE 4 Cb 0.00 -3.57 0.07 0.00 -1.06 0.00 0.00 42.46 37.90 2i2t s ILE 4 CO 0.00 0.42 1.10 0.18 -0.10 0.00 0.00 174.94 176.53 2i2t n LEU 5 N 3.47 3.85 -0.28 2.97 4.77 0.72 -0.96 117.00 131.54 2i2t n LEU 5 Ca -0.14 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2i2t n LEU 5 Cb 0.52 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.17 2i2t n LEU 5 CO 0.38 -1.93 0.33 0.18 -1.33 0.00 0.00 177.39 175.02 2i2t n LEU 6 N -2.87 0.58 0.00 2.23 4.32 0.31 -2.35 117.00 119.23 2i2t n LEU 6 Ca 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 56.01 54.87 2i2t n LEU 6 Cb 0.50 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2i2t n LEU 6 CO 0.49 0.30 0.00 -0.67 -1.22 0.00 0.00 177.39 176.29 2i2t n ASP 7 N -0.30 0.00 0.00 -1.43 2.03 -1.25 -4.60 116.55 110.99 2i2t n ASP 7 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2i2t n ASP 7 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2i2t n ASP 7 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2i2t n LYS 8 N 0.00 0.00 -3.94 -0.67 5.02 -1.26 -1.82 118.16 115.49 2i2t n LYS 8 Ca 0.00 0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 2i2t n LYS 8 Cb 0.00 -0.57 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 2i2t n LYS 8 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2i2t n VAL 9 N -2.30 -3.54 0.00 -0.18 0.31 -1.25 -2.03 118.33 109.34 2i2t n VAL 9 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2i2t n VAL 9 Cb 0.00 -2.88 0.00 0.00 -0.91 0.00 0.00 33.84 30.05 2i2t n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2t n ALA 10 N -4.45 0.00 0.00 3.52 0.00 -1.26 0.29 120.51 118.61 2i2t n ALA 10 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2i2t n ALA 10 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2i2t n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2t n ASN 11 N 0.59 0.00 -3.37 0.00 4.13 -1.26 -3.93 115.26 111.42 2i2t n ASN 11 Ca 0.00 0.10 -0.05 0.00 1.68 0.00 0.00 54.58 56.31 2i2t n ASN 11 Cb 0.00 -0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.07 2i2t n ASN 11 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2i2t s LEU 12 N -2.16 -0.86 -0.24 3.41 2.34 0.15 -5.15 118.68 116.16 2i2t s LEU 12 Ca 0.00 0.61 -0.27 0.00 0.06 0.00 0.00 54.13 54.52 2i2t s LEU 12 Cb 0.00 1.50 0.14 0.00 -0.56 0.00 0.00 46.19 47.27 2i2t s LEU 12 CO 0.00 -0.27 1.12 -0.83 -1.06 0.00 0.00 176.35 175.31 2i2t s GLY 13 N 2.66 -0.09 0.00 -3.48 0.00 -0.86 -3.82 107.32 101.74 2i2t s GLY 13 Ca 0.11 2.60 0.00 0.00 0.00 0.00 0.00 44.72 47.43 2i2t s GLY 13 CO -0.17 1.49 0.59 1.44 0.00 0.00 0.00 173.10 176.45 2i2t n SER 14 N 1.40 -0.26 -1.93 1.64 7.64 -0.76 -4.91 113.62 116.45 2i2t n SER 14 Ca -0.10 -1.18 -0.04 0.00 1.01 0.00 0.00 58.87 58.56 2i2t n SER 14 Cb 0.57 0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2i2t n SER 14 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2i2t n LEU 15 N 0.00 -0.35 0.00 -3.43 7.99 -1.03 -4.33 117.00 115.85 2i2t n LEU 15 Ca -0.07 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 2i2t n LEU 15 Cb 0.52 -1.21 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 2i2t n LEU 15 CO -0.04 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.34 2i2t n GLY 16 N -0.39 0.58 3.41 -0.72 0.00 -0.99 -4.77 105.19 102.30 2i2t n GLY 16 Ca -0.05 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2i2t n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i2t s ASP 17 N 0.00 -0.62 -0.56 1.61 -1.08 -1.22 -4.92 116.67 109.88 2i2t s ASP 17 Ca 0.00 1.09 -0.25 0.00 -0.52 0.00 0.00 52.55 52.86 2i2t s ASP 17 Cb 0.00 1.02 0.04 0.00 -1.46 0.00 0.00 42.92 42.52 2i2t s ASP 17 CO 0.00 -0.20 1.02 -1.58 0.52 0.00 0.00 175.17 174.93 2i2t s GLN 18 N 1.00 3.39 0.11 4.34 -0.44 -1.26 -0.20 119.66 126.59 2i2t s GLN 18 Ca -0.06 -0.10 0.01 0.00 -2.50 0.00 0.00 55.36 52.71 2i2t s GLN 18 Cb -0.06 -4.04 -0.04 0.00 -1.64 0.00 0.00 33.01 27.23 2i2t s GLN 18 CO -0.09 -1.54 -0.04 0.14 0.50 0.00 0.00 175.29 174.26 2i2t s VAL 19 N 4.24 0.60 0.22 1.34 -7.23 -1.22 -5.02 120.40 113.34 2i2t s VAL 19 Ca 0.34 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 2i2t s VAL 19 Cb -0.11 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 2i2t s VAL 19 CO 0.21 -0.80 0.33 0.21 -0.31 0.00 0.00 175.10 174.73 2i2t s ASN 20 N -3.05 6.24 -0.25 4.85 3.04 -1.26 -3.93 114.94 120.59 2i2t s ASN 20 Ca 0.14 0.06 -0.37 0.00 0.04 0.00 0.00 52.86 52.73 2i2t s ASN 20 Cb 0.06 -1.83 0.15 0.00 -1.54 0.00 0.00 41.25 38.09 2i2t s ASN 20 CO -0.04 -0.04 1.34 0.54 -3.04 0.00 0.00 177.10 175.87 2i2t s VAL 21 N -1.94 0.00 0.26 -5.21 0.11 0.14 -4.97 120.40 108.80 2i2t s VAL 21 Ca 0.34 -0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.08 2i2t s VAL 21 Cb -0.09 -1.09 -0.13 0.00 -1.53 0.00 0.00 36.38 33.54 2i2t s VAL 21 CO 0.28 0.00 1.44 0.29 -3.33 0.00 0.00 175.10 173.78 2i2t n LYS 22 N -0.07 2.19 0.00 1.54 5.02 -1.26 -2.83 118.16 122.75 2i2t n LYS 22 Ca 0.03 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2i2t n LYS 22 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2i2t n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i2t n ALA 23 N 1.78 1.86 -0.06 7.82 0.00 -1.26 -1.77 120.51 128.88 2i2t n ALA 23 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2i2t n ALA 23 Cb 0.33 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 2i2t n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 24 N 0.28 -0.19 0.07 0.00 0.00 -1.26 -4.54 105.19 99.55 2i2t n GLY 24 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2i2t n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2i2t h TYR 25 N -0.19 0.09 -4.39 1.61 3.20 -1.71 -3.37 116.97 112.21 2i2t h TYR 25 Ca -0.30 0.00 -0.50 0.00 3.14 0.00 0.00 58.73 61.07 2i2t h TYR 25 Cb 1.37 -0.03 0.07 0.00 1.54 0.00 0.00 36.73 39.67 2i2t h TYR 25 CO -0.01 0.09 0.41 0.00 -1.64 0.00 0.00 178.16 177.01 2i2t s ALA 26 N -6.07 3.00 -1.34 1.82 0.00 -1.06 -1.47 121.76 116.65 2i2t s ALA 26 Ca -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 2i2t s ALA 26 Cb 0.07 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2i2t s ALA 26 CO 0.67 -0.92 0.76 0.54 0.00 0.00 0.00 175.76 176.81 2i2t n ARG 27 N -2.87 -5.13 0.00 0.00 5.12 -1.26 -4.49 116.66 108.02 2i2t n ARG 27 Ca 0.06 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 2i2t n ARG 27 Cb 0.56 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.59 2i2t n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2i2t n ASN 28 N -3.03 0.00 0.21 0.55 5.03 -1.25 -4.89 115.26 111.89 2i2t n ASN 28 Ca -0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.20 2i2t n ASN 28 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 2i2t n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2i2t n PHE 29 N 0.00 -4.28 0.54 3.10 7.35 -0.54 -4.89 117.46 118.74 2i2t n PHE 29 Ca 0.00 1.37 0.04 0.00 -0.76 0.00 0.00 57.45 58.10 2i2t n PHE 29 Cb 0.00 3.34 0.24 0.00 0.35 0.00 0.00 39.48 43.40 2i2t n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2i2t n LEU 30 N -3.42 0.00 0.00 -2.13 4.77 -0.66 -3.95 117.00 111.60 2i2t n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i2t n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2i2t n LEU 30 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.58 2i2t n VAL 31 N -0.96 0.00 -2.87 4.08 0.31 -1.26 0.47 118.33 118.10 2i2t n VAL 31 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2i2t n VAL 31 Cb 0.03 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 2i2t n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2i2t n PRO 32 N 0.00 -0.94 0.00 5.55 -0.02 -1.26 -3.73 135.00 134.60 2i2t n PRO 32 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2i2t n PRO 32 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2i2t n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2i2t n GLN 33 N -2.03 0.00 -2.98 -0.52 7.27 -1.25 -4.71 117.38 113.16 2i2t n GLN 33 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.02 2i2t n GLN 33 Cb 0.21 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.85 2i2t n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2i2t n GLY 34 N 0.00 -1.14 0.00 1.69 0.00 -1.24 -4.96 105.19 99.53 2i2t n GLY 34 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2i2t n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 35 N 2.29 0.97 -3.72 1.61 4.76 -0.98 -4.91 118.16 118.19 2i2t n LYS 35 Ca -0.09 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.34 2i2t n LYS 35 Cb 0.16 -0.11 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 2i2t n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i2t s ALA 36 N -0.25 -1.92 -0.03 7.82 0.00 0.18 0.11 121.76 127.68 2i2t s ALA 36 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2i2t s ALA 36 Cb 0.00 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2i2t s ALA 36 CO 0.00 -1.05 0.01 0.54 0.00 0.00 0.00 175.76 175.25 2i2t s VAL 37 N -2.81 0.11 -0.14 0.00 0.11 -0.13 -4.56 120.40 112.97 2i2t s VAL 37 Ca 0.14 0.12 -0.41 0.00 -2.93 0.00 0.00 61.98 58.91 2i2t s VAL 37 Cb 0.01 -0.21 -0.19 0.00 -1.53 0.00 0.00 36.38 34.46 2i2t s VAL 37 CO -0.00 0.13 1.36 -2.65 -3.33 0.00 0.00 175.10 170.60 2i2t n PRO 38 N 4.13 0.43 -1.21 1.54 -0.02 -1.26 0.37 135.00 138.98 2i2t n PRO 38 Ca -0.27 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.02 2i2t n PRO 38 Cb 0.50 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 2i2t n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i2t n ALA 39 N 2.90 7.11 0.00 3.55 0.00 -1.26 -4.71 120.51 128.10 2i2t n ALA 39 Ca 0.23 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2i2t n ALA 39 Cb 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.27 2i2t n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2i2t n THR 40 N 3.59 0.00 -0.80 0.00 -2.24 -1.26 -4.57 114.28 109.00 2i2t n THR 40 Ca 0.72 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 2i2t n THR 40 Cb 0.26 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2i2t n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2i2t n LYS 41 N -0.26 -0.38 -0.13 -0.78 5.02 -1.26 -4.72 118.16 115.64 2i2t n LYS 41 Ca 0.00 0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 2i2t n LYS 41 Cb 0.00 -3.86 -0.10 0.00 -0.02 0.00 0.00 35.03 31.05 2i2t n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2i2t n LYS 42 N -1.55 0.59 0.00 1.97 4.81 -1.26 -4.43 118.16 118.29 2i2t n LYS 42 Ca 0.00 0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.86 2i2t n LYS 42 Cb 0.10 -1.53 0.32 0.00 0.02 0.00 0.00 35.03 33.93 2i2t n LYS 42 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2i2t n ASN 43 N -4.19 0.46 0.02 3.14 3.02 -1.26 -4.00 115.26 112.45 2i2t n ASN 43 Ca -0.51 -0.19 0.22 0.00 -0.03 0.00 0.00 54.58 54.07 2i2t n ASN 43 Cb 0.87 0.13 0.61 0.00 -0.61 0.00 0.00 39.78 40.79 2i2t n ASN 43 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2i2t h ILE 44 N 0.08 0.19 0.00 2.41 -0.00 -1.87 0.37 117.51 118.68 2i2t h ILE 44 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2i2t h ILE 44 Cb 0.50 0.40 -0.00 0.00 -0.00 0.00 0.00 36.82 37.71 2i2t h ILE 44 CO 0.00 0.00 -1.28 -0.62 -0.00 0.00 0.00 178.15 176.25 2i2t n GLU 45 N -3.41 0.31 -0.06 0.16 1.02 -1.26 -3.82 120.64 113.58 2i2t n GLU 45 Ca 0.12 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 2i2t n GLU 45 Cb 0.93 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.18 2i2t n GLU 45 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2i2t h PHE 46 N 0.00 0.31 0.09 -0.32 -0.00 -0.51 0.28 116.94 116.80 2i2t h PHE 46 Ca -0.01 -0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 57.68 2i2t h PHE 46 Cb 0.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 36.16 2i2t h PHE 46 CO 0.00 0.24 -1.39 0.74 -0.00 0.00 0.00 178.31 177.89 2i2t h PHE 47 N 0.29 0.36 0.13 0.41 0.04 -1.23 -3.30 116.94 113.64 2i2t h PHE 47 Ca 0.08 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 2i2t h PHE 47 Cb 0.02 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2i2t h PHE 47 CO -0.05 1.27 -0.06 1.49 -0.60 0.00 0.00 178.31 180.36 2i2t h GLU 48 N 0.05 -0.17 0.00 1.51 4.22 -1.63 -2.84 114.58 115.72 2i2t h GLU 48 Ca -0.18 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.27 2i2t h GLU 48 Cb 1.97 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 2i2t h GLU 48 CO 0.16 0.22 -0.00 0.00 -2.18 0.00 0.00 179.01 177.21 2i2t h ALA 49 N 0.17 1.45 -0.18 2.92 0.00 -0.61 -1.13 119.26 121.89 2i2t h ALA 49 Ca -0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2i2t h ALA 49 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2i2t h ALA 49 CO 0.03 0.00 -0.20 -0.09 0.00 0.00 0.00 179.25 178.99 2i2t h ARG 50 N 0.00 0.45 -0.80 0.00 9.65 -1.62 -2.62 114.38 119.43 2i2t h ARG 50 Ca -0.00 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2i2t h ARG 50 Cb 0.01 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2i2t h ARG 50 CO 0.00 0.82 0.53 0.00 2.80 0.00 0.00 179.97 184.12 2i2t h ARG 51 N 0.10 1.01 0.00 0.20 3.08 -1.00 1.33 114.38 119.09 2i2t h ARG 51 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2i2t h ARG 51 Cb 0.75 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2i2t h ARG 51 CO 0.05 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 2i2t n ALA 52 N -2.41 1.94 0.00 0.04 0.00 -0.70 -2.24 120.51 117.13 2i2t n ALA 52 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2i2t n ALA 52 Cb 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2i2t n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2i2t n GLU 53 N -0.69 0.00 0.00 0.00 0.00 0.27 -3.41 120.64 116.82 2i2t n GLU 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2i2t n GLU 53 Cb 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 31.44 30.79 2i2t n GLU 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2i2t n LEU 54 N -2.45 0.00 -2.19 4.31 4.77 0.38 -2.79 117.00 119.03 2i2t n LEU 54 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2i2t n LEU 54 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2i2t n LEU 54 CO 0.00 0.00 1.51 -0.62 -1.33 0.00 0.00 177.39 176.95 2i2t n GLU 55 N 0.00 1.69 0.00 3.23 -0.58 -1.20 -3.07 120.64 120.72 2i2t n GLU 55 Ca 0.00 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 2i2t n GLU 55 Cb 0.00 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 2i2t n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i2t n ALA 56 N 2.70 1.22 0.21 0.62 0.00 -1.22 -4.84 120.51 119.21 2i2t n ALA 56 Ca 0.36 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.87 2i2t n ALA 56 Cb 0.69 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.70 2i2t n ALA 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2i2t h LYS 57 N 0.00 0.07 -0.27 0.00 5.09 -1.55 -0.91 116.57 119.00 2i2t h LYS 57 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 60.65 60.67 2i2t h LYS 57 Cb 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.30 2i2t h LYS 57 CO 0.00 0.12 -0.09 -0.07 -2.09 0.00 0.00 179.45 177.32 2i2t h LEU 58 N 0.07 0.41 -0.36 7.07 3.38 -1.44 -1.90 115.31 122.54 2i2t h LEU 58 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2i2t h LEU 58 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2i2t h LEU 58 CO 0.01 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.08 2i2t n ALA 59 N -2.48 1.73 0.00 1.53 0.00 -0.34 -0.90 120.51 120.04 2i2t n ALA 59 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2i2t n ALA 59 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2i2t n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2i2t n GLU 60 N -0.20 3.54 0.01 0.00 4.07 -0.72 -4.31 120.64 123.02 2i2t n GLU 60 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2i2t n GLU 60 Cb 0.03 -0.45 -0.14 0.00 -0.06 0.00 0.00 31.44 30.82 2i2t n GLU 60 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2i2t h VAL 61 N 0.00 0.90 -0.00 6.31 3.04 -1.02 -3.10 116.25 122.38 2i2t h VAL 61 Ca 0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 66.70 63.02 2i2t h VAL 61 Cb 0.00 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2i2t h VAL 61 CO 0.00 0.68 -0.01 0.00 -1.01 0.00 0.00 177.57 177.23 2i2t n LEU 62 N -3.25 0.09 0.13 3.16 -0.00 -0.83 -2.13 117.00 114.18 2i2t n LEU 62 Ca -0.19 0.07 0.12 0.00 -0.00 0.00 0.00 56.01 56.01 2i2t n LEU 62 Cb 1.04 -0.10 0.48 0.00 -0.00 0.00 0.00 43.42 44.84 2i2t n LEU 62 CO 0.46 0.02 0.87 0.00 -0.00 0.00 0.00 177.39 178.73 2i2t n ALA 63 N -1.04 1.78 0.11 1.47 0.00 -1.17 -1.63 120.51 120.04 2i2t n ALA 63 Ca 0.20 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.77 2i2t n ALA 63 Cb 0.17 -1.41 0.32 0.00 0.00 0.00 0.00 19.45 18.54 2i2t n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 64 N -1.79 1.07 -0.70 0.00 0.00 -0.90 -2.55 120.51 115.63 2i2t n ALA 64 Ca 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2i2t n ALA 64 Cb 0.27 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 2i2t n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 65 N -1.65 4.92 0.09 0.00 0.00 -0.64 -4.52 120.51 118.71 2i2t n ALA 65 Ca -0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 53.44 52.34 2i2t n ALA 65 Cb 0.03 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 2i2t n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2i2t h ASN 66 N 2.52 -1.33 -3.59 0.00 7.08 -1.78 -3.45 115.58 115.02 2i2t h ASN 66 Ca 0.10 0.15 0.27 0.00 -3.08 0.00 0.00 56.30 53.74 2i2t h ASN 66 Cb 1.16 0.51 -0.24 0.00 -2.08 0.00 0.00 38.32 37.66 2i2t h ASN 66 CO 0.15 -0.49 0.94 0.00 -2.08 0.00 0.00 177.43 175.95 2i2t s ALA 67 N -5.88 -2.14 -2.49 4.14 0.00 -1.26 -5.00 121.76 109.13 2i2t s ALA 67 Ca -0.16 1.87 0.28 0.00 0.00 0.00 0.00 51.96 53.95 2i2t s ALA 67 Cb 0.08 -0.94 1.07 0.00 0.00 0.00 0.00 23.12 23.33 2i2t s ALA 67 CO 0.63 -0.39 1.76 -2.13 0.00 0.00 0.00 175.76 175.62 2i2t n ARG 68 N 0.26 1.65 -0.17 0.00 0.63 -1.26 -4.35 116.66 113.41 2i2t n ARG 68 Ca 0.02 -0.94 0.00 0.00 -0.92 0.00 0.00 57.85 56.01 2i2t n ARG 68 Cb 0.58 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 32.01 2i2t n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2t n ALA 69 N 0.14 2.48 -0.11 5.13 0.00 -1.26 -3.16 120.51 123.73 2i2t n ALA 69 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 2i2t n ALA 69 Cb 0.35 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 2i2t n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2t n GLU 70 N 1.54 0.54 -2.69 0.00 -0.58 -1.26 -4.63 120.64 113.57 2i2t n GLU 70 Ca 0.00 0.23 -0.21 0.00 -0.42 0.00 0.00 57.16 56.76 2i2t n GLU 70 Cb 0.23 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2i2t n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2i2t n LYS 71 N -4.29 2.45 0.00 3.49 4.01 -1.19 -4.75 118.16 117.88 2i2t n LYS 71 Ca -0.37 -4.07 0.00 0.00 -0.51 0.00 0.00 58.31 53.36 2i2t n LYS 71 Cb 0.72 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2i2t n LYS 71 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2i2t n ILE 72 N -0.24 0.00 0.19 -0.18 3.06 -1.26 -4.80 119.36 116.14 2i2t n ILE 72 Ca 0.27 0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.69 2i2t n ILE 72 Cb 0.66 0.00 0.80 0.00 0.54 0.00 0.00 39.64 41.64 2i2t n ILE 72 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2i2t h ASN 73 N 0.00 0.00 -0.89 9.51 7.08 -1.82 -2.23 115.58 127.23 2i2t h ASN 73 Ca 0.00 0.00 -0.34 0.00 -3.08 0.00 0.00 56.30 52.88 2i2t h ASN 73 Cb 0.00 0.00 -0.39 0.00 -2.08 0.00 0.00 38.32 35.85 2i2t h ASN 73 CO 0.00 0.00 -1.16 0.00 -2.08 0.00 0.00 177.43 174.19 2i2t n ALA 74 N -2.39 3.23 -0.95 4.14 0.00 -1.26 -5.13 120.51 118.15 2i2t n ALA 74 Ca 0.02 -3.01 -0.31 0.00 0.00 0.00 0.00 53.44 50.14 2i2t n ALA 74 Cb 0.32 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 2i2t n ALA 74 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2i2t n LEU 75 N -0.16 -2.16 -4.67 0.00 -0.00 -0.84 -4.77 117.00 104.41 2i2t n LEU 75 Ca 0.08 0.59 -0.44 0.00 -0.00 0.00 0.00 56.01 56.24 2i2t n LEU 75 Cb 0.82 -0.65 -0.02 0.00 -0.00 0.00 0.00 43.42 43.57 2i2t n LEU 75 CO 0.23 -3.12 0.88 1.21 -0.00 0.00 0.00 177.39 176.59 2i2t n GLU 76 N 0.99 1.93 -1.71 1.47 0.00 -1.26 -4.89 120.64 117.17 2i2t n GLU 76 Ca 0.08 0.68 -0.40 0.00 0.00 0.00 0.00 57.16 57.52 2i2t n GLU 76 Cb 0.30 -2.25 0.02 0.00 0.00 0.00 0.00 31.44 29.50 2i2t n GLU 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2i2t n THR 77 N 0.95 2.83 -1.40 6.31 -2.24 -1.26 -4.89 114.28 114.57 2i2t n THR 77 Ca 0.08 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 2i2t n THR 77 Cb 0.33 -1.60 0.03 0.00 -2.10 0.00 0.00 70.33 66.99 2i2t n THR 77 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2i2t n VAL 78 N -0.41 1.61 -1.24 2.28 0.24 -1.26 -4.93 118.33 114.62 2i2t n VAL 78 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2i2t n VAL 78 Cb 0.41 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2i2t n VAL 78 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2i2t n THR 79 N -1.64 0.00 -3.84 3.34 -2.24 -1.26 -5.09 114.28 103.55 2i2t n THR 79 Ca 0.11 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2i2t n THR 79 Cb 0.47 0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 69.41 2i2t n THR 79 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2i2t s ILE 80 N 0.00 0.10 0.00 2.28 1.01 -1.26 -4.94 121.20 118.38 2i2t s ILE 80 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2i2t s ILE 80 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2i2t s ILE 80 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 174.94 174.50 2i2t n ALA 81 N 0.93 0.00 0.17 9.38 0.00 -1.26 -4.20 120.51 125.53 2i2t n ALA 81 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2i2t n ALA 81 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2i2t n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2i2t n SER 82 N 0.00 -3.02 0.00 0.00 7.64 -1.21 -4.47 113.62 112.56 2i2t n SER 82 Ca 0.00 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2i2t n SER 82 Cb 0.00 2.94 0.00 0.00 -1.01 0.00 0.00 64.21 66.14 2i2t n SER 82 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2i2t n LYS 83 N -3.30 0.00 0.00 1.43 3.00 -1.26 -4.84 118.16 113.18 2i2t n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2i2t n LYS 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2i2t n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2t n ALA 84 N -0.03 0.00 -2.55 3.14 0.00 -1.26 -4.78 120.51 115.03 2i2t n ALA 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2i2t n ALA 84 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2i2t n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2i2t s GLY 85 N 0.00 2.50 0.00 0.00 0.00 0.25 -4.47 107.32 105.60 2i2t s GLY 85 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2i2t s GLY 85 CO 0.00 -1.93 0.00 1.34 0.00 0.00 0.00 173.10 172.51 2i2t n ASP 86 N -1.05 -1.53 -2.86 1.64 4.64 -1.26 -2.79 116.55 113.35 2i2t n ASP 86 Ca -0.07 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.27 2i2t n ASP 86 Cb 0.66 -0.33 0.01 0.00 -1.04 0.00 0.00 41.12 40.42 2i2t n ASP 86 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 2i2t n GLU 87 N -2.43 -2.71 0.00 -0.67 0.00 -1.26 -4.53 120.64 109.04 2i2t n GLU 87 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 57.16 59.45 2i2t n GLU 87 Cb 0.01 -5.15 0.00 0.00 0.00 0.00 0.00 31.44 26.30 2i2t n GLU 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2i2t n GLY 88 N 0.17 3.01 0.00 8.31 0.00 -1.26 -5.07 105.19 110.34 2i2t n GLY 88 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2i2t n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 89 N 0.00 3.61 -4.82 1.61 0.00 -1.16 -4.90 118.16 112.50 2i2t n LYS 89 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2i2t n LYS 89 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2i2t n LYS 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2i2t s LEU 90 N 0.00 2.24 0.00 3.14 1.02 -1.12 -0.58 118.68 123.38 2i2t s LEU 90 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.56 2i2t s LEU 90 Cb 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.90 2i2t s LEU 90 CO 0.00 0.25 0.00 0.49 0.02 0.00 0.00 176.35 177.11 2i2t n PHE 91 N 1.65 0.00 -0.82 0.29 3.72 -1.26 -4.15 117.46 116.90 2i2t n PHE 91 Ca -0.17 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.88 2i2t n PHE 91 Cb 0.52 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.17 2i2t n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i2t n GLY 92 N 0.73 -2.80 0.00 1.37 0.00 -1.26 -4.81 105.19 98.43 2i2t n GLY 92 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2i2t n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i2t n SER 93 N 0.53 -0.83 -4.68 1.61 3.41 -1.26 -4.85 113.62 107.55 2i2t n SER 93 Ca 0.00 -0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 57.81 2i2t n SER 93 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 2i2t n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2i2t s ILE 94 N -0.92 3.95 0.00 -1.33 -1.09 -1.26 -5.03 121.20 115.53 2i2t s ILE 94 Ca 0.00 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 2i2t s ILE 94 Cb 0.00 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 2i2t s ILE 94 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 2i2t n GLY 95 N 0.57 0.79 0.09 6.18 0.00 -1.26 -4.99 105.19 106.57 2i2t n GLY 95 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2i2t n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i2t n THR 96 N 0.00 0.00 -2.70 2.61 -2.24 -1.26 -4.72 114.28 105.97 2i2t n THR 96 Ca 0.00 -0.41 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 2i2t n THR 96 Cb 0.00 1.05 0.08 0.00 -2.10 0.00 0.00 70.33 69.35 2i2t n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2i2t n ARG 97 N -0.62 1.28 0.03 -0.78 3.00 -1.26 -4.34 116.66 113.98 2i2t n ARG 97 Ca 0.02 -2.55 -0.01 0.00 -0.01 0.00 0.00 57.85 55.29 2i2t n ARG 97 Cb 0.11 -0.69 -0.00 0.00 0.00 0.00 0.00 32.46 31.88 2i2t n ARG 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2i2t n ASP 98 N -0.52 1.22 0.00 0.55 9.92 -1.26 -4.59 116.55 121.87 2i2t n ASP 98 Ca 0.01 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2i2t n ASP 98 Cb 0.83 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2i2t n ASP 98 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2i2t n ILE 99 N -3.61 0.00 -1.48 0.53 2.08 -1.26 -1.84 119.36 113.78 2i2t n ILE 99 Ca -0.02 1.14 -0.27 0.00 0.56 0.00 0.00 62.75 64.17 2i2t n ILE 99 Cb 0.06 -1.67 -0.06 0.00 -0.75 0.00 0.00 39.64 37.22 2i2t n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i2t n ALA 100 N -1.54 6.46 0.08 -1.39 0.00 -1.26 -4.53 120.51 118.33 2i2t n ALA 100 Ca 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 53.44 50.45 2i2t n ALA 100 Cb 0.00 -2.16 0.21 0.00 0.00 0.00 0.00 19.45 17.50 2i2t n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2i2t n ASP 101 N 0.93 0.20 0.13 0.00 8.00 -0.76 -2.17 116.55 122.88 2i2t n ASP 101 Ca 0.49 0.49 -0.14 0.00 0.71 0.00 0.00 54.79 56.35 2i2t n ASP 101 Cb 0.56 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 2i2t n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i2t h ALA 102 N 1.47 -0.58 -0.98 2.24 0.00 -1.86 -2.08 119.26 117.46 2i2t h ALA 102 Ca 0.00 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.07 2i2t h ALA 102 Cb 0.33 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 2i2t h ALA 102 CO 0.00 -0.88 0.57 -0.39 0.00 0.00 0.00 179.25 178.55 2i2t h VAL 103 N -0.57 0.59 -1.77 0.00 -1.51 -1.70 -3.23 116.25 108.06 2i2t h VAL 103 Ca 0.02 -0.21 -0.70 0.00 -1.23 0.00 0.00 66.70 64.58 2i2t h VAL 103 Cb 0.59 -0.08 -0.14 0.00 -2.13 0.00 0.00 31.29 29.52 2i2t h VAL 103 CO -0.17 0.11 1.51 0.28 -1.23 0.00 0.00 177.57 178.07 2i2t s THR 104 N -5.82 4.65 0.00 7.19 -1.32 -0.78 -0.46 115.64 119.09 2i2t s THR 104 Ca -0.11 -2.12 0.00 0.00 -1.21 0.00 0.00 61.69 58.25 2i2t s THR 104 Cb 0.26 -4.98 0.00 0.00 -1.51 0.00 0.00 72.50 66.27 2i2t s THR 104 CO 0.80 -1.74 0.00 0.00 -2.21 0.00 0.00 174.62 171.47 2i2t n ALA 105 N 6.80 0.00 -0.00 11.08 0.00 -1.22 -4.90 120.51 132.26 2i2t n ALA 105 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.78 2i2t n ALA 105 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 2i2t n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 106 N -1.49 2.19 -0.11 0.00 0.00 -1.25 -5.02 120.51 114.82 2i2t n ALA 106 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2i2t n ALA 106 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2i2t n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 107 N 2.72 0.11 0.15 0.00 0.00 -1.26 -4.91 105.19 102.01 2i2t n GLY 107 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2i2t n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2t n VAL 108 N 0.00 0.00 -1.26 1.61 0.31 -0.78 -4.88 118.33 113.32 2i2t n VAL 108 Ca 0.00 0.00 -0.59 0.00 -0.01 0.00 0.00 64.34 63.74 2i2t n VAL 108 Cb 0.00 -0.19 -0.12 0.00 -0.91 0.00 0.00 33.84 32.62 2i2t n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i2t n GLU 109 N -0.32 0.06 -0.53 5.55 4.71 0.39 -4.11 120.64 126.40 2i2t n GLU 109 Ca 0.00 0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.87 2i2t n GLU 109 Cb 0.06 -1.56 0.23 0.00 -1.01 0.00 0.00 31.44 29.17 2i2t n GLU 109 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2i2t n VAL 110 N 6.55 0.00 0.00 2.62 0.24 -1.26 -4.84 118.33 121.63 2i2t n VAL 110 Ca 0.54 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2i2t n VAL 110 Cb -0.02 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 2i2t n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2t n ALA 111 N -4.84 0.00 -0.24 2.33 0.00 -1.26 -4.99 120.51 111.51 2i2t n ALA 111 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2i2t n ALA 111 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2i2t n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2i2t n LYS 112 N 0.00 -0.49 0.00 0.00 2.85 -1.26 -4.57 118.16 114.69 2i2t n LYS 112 Ca 0.00 -0.36 0.00 0.00 -1.05 0.00 0.00 58.31 56.90 2i2t n LYS 112 Cb 0.00 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 2i2t n LYS 112 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2i2t n SER 113 N -0.03 0.00 0.09 -5.58 3.41 -1.26 -4.61 113.62 105.64 2i2t n SER 113 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i2t n SER 113 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2i2t n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i2t n GLU 114 N 0.00 0.00 -1.73 4.33 -0.58 -1.26 -4.98 120.64 116.42 2i2t n GLU 114 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2i2t n GLU 114 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2i2t n GLU 114 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2i2t s VAL 115 N -2.00 3.06 0.62 2.62 -7.23 -1.23 -0.41 120.40 115.84 2i2t s VAL 115 Ca 0.00 0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.11 2i2t s VAL 115 Cb 0.00 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2i2t s VAL 115 CO 0.00 -0.01 1.30 -0.60 -0.31 0.00 0.00 175.10 175.48 2i2t s ARG 116 N 4.23 2.72 0.00 4.82 3.52 0.23 -4.73 118.95 129.74 2i2t s ARG 116 Ca 0.85 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 2i2t s ARG 116 Cb -0.42 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 2i2t s ARG 116 CO 0.39 -1.47 0.00 1.28 -0.81 0.00 0.00 175.30 174.69 2i2t n LEU 117 N -1.69 0.00 -0.31 -0.88 4.77 -1.26 -4.18 117.00 113.44 2i2t n LEU 117 Ca 0.15 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2i2t n LEU 117 Cb 0.48 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.86 2i2t n LEU 117 CO 0.48 0.00 1.08 -0.65 -1.33 0.00 0.00 177.39 176.97 2i2t h PRO 118 N 0.00 0.48 -7.13 3.23 0.11 -2.04 -3.39 132.00 123.27 2i2t h PRO 118 Ca 0.00 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.57 2i2t h PRO 118 Cb 0.00 -0.11 0.10 0.00 0.11 0.00 0.00 31.00 31.10 2i2t h PRO 118 CO 0.00 0.32 0.42 0.54 -0.21 0.00 0.00 178.00 179.07 2i2t s ASN 119 N -5.26 5.26 -0.83 -2.05 2.20 -1.26 -4.78 114.94 108.23 2i2t s ASN 119 Ca -0.12 2.19 -0.28 0.00 -0.94 0.00 0.00 52.86 53.71 2i2t s ASN 119 Cb 0.25 -2.58 -0.18 0.00 -2.00 0.00 0.00 41.25 36.74 2i2t s ASN 119 CO 0.78 -1.53 2.58 0.61 -2.94 0.00 0.00 177.10 176.60 2i2t n GLY 120 N 0.06 -0.27 1.78 0.45 0.00 -1.26 -4.54 105.19 101.40 2i2t n GLY 120 Ca 0.12 0.93 -0.07 0.00 0.00 0.00 0.00 46.02 47.00 2i2t n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2t n VAL 121 N 7.60 0.00 -0.83 1.61 0.31 -1.26 -4.84 118.33 120.92 2i2t n VAL 121 Ca 0.56 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 2i2t n VAL 121 Cb 0.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2i2t n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2t n LEU 122 N 2.74 0.00 -3.58 7.52 4.32 -1.26 -4.03 117.00 122.71 2i2t n LEU 122 Ca 0.21 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 56.00 2i2t n LEU 122 Cb 0.16 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.80 2i2t n LEU 122 CO 0.46 -0.29 -0.27 -0.13 -1.22 0.00 0.00 177.39 175.95 2i2t s ARG 123 N -1.48 0.09 -0.08 3.23 3.00 -1.26 -4.58 118.95 117.88 2i2t s ARG 123 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 55.73 55.79 2i2t s ARG 123 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 34.95 33.71 2i2t s ARG 123 CO 0.00 -0.57 0.32 0.99 0.00 0.00 0.00 175.30 176.05 2i2t s THR 124 N 2.24 5.22 0.13 0.02 2.01 -1.26 -4.32 115.64 119.68 2i2t s THR 124 Ca 0.04 0.63 -0.21 0.00 0.31 0.00 0.00 61.69 62.46 2i2t s THR 124 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2i2t s THR 124 CO -0.09 0.51 1.68 0.00 -0.69 0.00 0.00 174.62 176.03 2i2t h THR 125 N 4.12 0.64 -3.22 -0.82 1.03 -1.90 -3.44 112.91 109.32 2i2t h THR 125 Ca -0.49 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.74 2i2t h THR 125 Cb 1.20 0.64 0.06 0.00 -1.07 0.00 0.00 68.15 68.98 2i2t h THR 125 CO 0.66 0.00 0.13 0.61 -0.01 0.00 0.00 175.52 176.91 2i2t n GLY 126 N -1.28 -0.63 3.72 2.99 0.00 -1.26 -4.31 105.19 104.43 2i2t n GLY 126 Ca -0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2i2t n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i2t s GLU 127 N -3.96 4.19 0.15 1.61 2.12 -1.24 -4.50 118.70 117.06 2i2t s GLU 127 Ca 0.29 2.44 0.09 0.00 0.36 0.00 0.00 54.97 58.15 2i2t s GLU 127 Cb -0.01 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2i2t s GLU 127 CO 0.20 -0.63 -0.12 -1.58 -0.54 0.00 0.00 175.26 172.59 2i2t s HIS 128 N 0.94 2.62 -0.64 5.30 5.65 -1.22 -4.79 115.29 123.14 2i2t s HIS 128 Ca 0.70 -0.22 -0.07 0.00 0.25 0.00 0.00 55.06 55.71 2i2t s HIS 128 Cb -0.45 -1.32 0.17 0.00 -1.18 0.00 0.00 32.58 29.79 2i2t s HIS 128 CO 0.34 0.47 0.50 -1.21 -0.65 0.00 0.00 174.74 174.19 2i2t s GLU 129 N -2.55 2.82 0.00 2.88 2.02 -1.26 -0.80 118.70 121.81 2i2t s GLU 129 Ca 0.22 -2.32 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2i2t s GLU 129 Cb -0.10 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.17 2i2t s GLU 129 CO 0.14 -1.21 0.00 1.33 0.02 0.00 0.00 175.26 175.54 2i2t n VAL 130 N 3.98 0.00 -3.15 2.63 0.24 -1.20 -5.03 118.33 115.79 2i2t n VAL 130 Ca 0.06 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.41 2i2t n VAL 130 Cb 0.41 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2i2t n VAL 130 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2i2t s SER 131 N -1.00 -0.64 -0.96 -1.34 0.15 -1.26 -4.47 113.70 104.18 2i2t s SER 131 Ca 0.00 0.13 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 2i2t s SER 131 Cb 0.00 1.43 -0.11 0.00 -1.71 0.00 0.00 66.02 65.63 2i2t s SER 131 CO 0.00 -0.12 2.09 0.12 1.20 0.00 0.00 173.24 176.53 2i2t s PHE 132 N 2.93 1.58 -0.68 3.44 5.36 -0.55 0.75 117.98 130.82 2i2t s PHE 132 Ca 0.20 1.20 -0.25 0.00 -0.96 0.00 0.00 56.93 57.13 2i2t s PHE 132 Cb -0.05 -3.77 -0.21 0.00 -0.34 0.00 0.00 43.02 38.66 2i2t s PHE 132 CO -0.21 -1.42 1.86 0.94 -1.46 0.00 0.00 175.22 174.93 2i2t n GLN 133 N 8.62 1.07 0.03 10.12 7.27 0.46 -1.26 117.38 143.68 2i2t n GLN 133 Ca 0.43 -1.74 -0.01 0.00 0.07 0.00 0.00 57.00 55.75 2i2t n GLN 133 Cb 0.46 -3.02 -0.01 0.00 2.41 0.00 0.00 30.24 30.08 2i2t n GLN 133 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 2i2t h VAL 134 N 5.03 0.00 -3.35 1.69 3.04 -1.84 -3.46 116.25 117.36 2i2t h VAL 134 Ca 0.32 -0.04 -0.40 0.00 -1.01 0.00 0.00 66.70 65.58 2i2t h VAL 134 Cb 0.74 0.00 -0.37 0.00 -2.01 0.00 0.00 31.29 29.65 2i2t h VAL 134 CO 1.80 0.00 -0.76 -2.28 -1.01 0.00 0.00 177.57 175.32 2i2t s HIS 135 N -2.31 0.46 0.00 3.17 5.65 -1.22 -5.05 115.29 116.00 2i2t s HIS 135 Ca -0.01 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.26 2i2t s HIS 135 Cb 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 32.58 30.78 2i2t s HIS 135 CO 0.03 -0.24 0.18 0.43 -0.65 0.00 0.00 174.74 174.50 2i2t n SER 136 N 4.82 0.00 -0.67 9.88 7.64 -1.26 0.95 113.62 134.99 2i2t n SER 136 Ca -0.13 0.18 0.51 0.00 1.01 0.00 0.00 58.87 60.45 2i2t n SER 136 Cb 0.50 0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.50 2i2t n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2i2t n GLU 137 N -0.59 -0.01 -3.49 1.43 4.71 -1.26 -2.06 120.64 119.38 2i2t n GLU 137 Ca 0.00 1.11 -0.27 0.00 -0.01 0.00 0.00 57.16 57.99 2i2t n GLU 137 Cb 0.00 -2.49 -0.09 0.00 -1.01 0.00 0.00 31.44 27.85 2i2t n GLU 137 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2i2t n VAL 138 N -4.05 0.99 -1.18 2.62 0.24 0.27 -4.93 118.33 112.28 2i2t n VAL 138 Ca 0.44 -4.61 -0.32 0.00 -2.04 0.00 0.00 64.34 57.81 2i2t n VAL 138 Cb 1.94 -2.03 0.11 0.00 -1.47 0.00 0.00 33.84 32.39 2i2t n VAL 138 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2i2t s PHE 139 N -1.57 2.18 0.19 6.34 0.40 -0.79 -3.41 117.98 121.32 2i2t s PHE 139 Ca 0.34 1.64 0.09 0.00 -0.60 0.00 0.00 56.93 58.40 2i2t s PHE 139 Cb 0.09 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 2i2t s PHE 139 CO -0.10 -2.26 -0.11 0.00 0.70 0.00 0.00 175.22 173.46 2i2t s ALA 140 N -2.57 2.92 -0.01 5.36 0.00 -0.39 -4.74 121.76 122.33 2i2t s ALA 140 Ca 0.66 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2i2t s ALA 140 Cb -0.22 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 2i2t s ALA 140 CO 0.52 0.45 -0.05 0.15 0.00 0.00 0.00 175.76 176.83 2i2t s LYS 141 N -2.87 0.45 0.15 0.00 3.01 -1.26 -1.49 119.74 117.74 2i2t s LYS 141 Ca 0.25 -0.19 -0.03 0.00 -1.01 0.00 0.00 55.97 54.99 2i2t s LYS 141 Cb -0.09 -0.44 0.01 0.00 -1.01 0.00 0.00 37.83 36.31 2i2t s LYS 141 CO 0.15 0.11 0.26 1.33 0.51 0.00 0.00 175.35 177.71 2i2t n VAL 142 N 2.99 0.00 -3.51 3.17 0.24 -1.26 -4.87 118.33 115.10 2i2t n VAL 142 Ca -0.13 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2i2t n VAL 142 Cb 0.58 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 2i2t n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2i2t n ILE 143 N -0.23 0.00 -4.14 1.34 -5.35 -1.26 -3.27 119.36 106.45 2i2t n ILE 143 Ca -0.01 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 2i2t n ILE 143 Cb 0.25 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.05 2i2t n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2i2t s VAL 144 N -0.45 0.20 -0.21 7.28 1.01 0.02 -4.67 120.40 123.58 2i2t s VAL 144 Ca 0.00 -1.88 -0.36 0.00 0.00 0.00 0.00 61.98 59.74 2i2t s VAL 144 Cb 0.00 -1.87 0.14 0.00 0.00 0.00 0.00 36.38 34.66 2i2t s VAL 144 CO 0.00 -0.65 1.28 0.21 0.00 0.00 0.00 175.10 175.93 2i2t s ASN 145 N -3.01 -0.09 0.27 3.32 2.47 -1.26 -3.45 114.94 113.19 2i2t s ASN 145 Ca 0.18 -0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.49 2i2t s ASN 145 Cb 0.07 0.10 -0.06 0.00 -1.45 0.00 0.00 41.25 39.92 2i2t s ASN 145 CO -0.02 -0.16 0.03 -0.69 -3.72 0.00 0.00 177.10 172.54 2i2t s VAL 146 N -2.28 1.04 -0.13 -5.21 1.01 -1.26 -3.30 120.40 110.26 2i2t s VAL 146 Ca 0.11 -2.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.01 2i2t s VAL 146 Cb -0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2i2t s VAL 146 CO -0.04 -0.17 0.06 -0.69 0.00 0.00 0.00 175.10 174.26 2i2t s VAL 147 N -3.42 4.76 -1.13 2.92 1.01 -1.26 -4.65 120.40 118.63 2i2t s VAL 147 Ca 0.33 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 2i2t s VAL 147 Cb 0.07 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2i2t s VAL 147 CO 0.12 0.55 2.05 0.00 0.00 0.00 0.00 175.10 177.81 2i2t n ALA 148 N 2.70 4.21 -0.21 5.51 0.00 -1.26 -4.91 120.51 126.55 2i2t n ALA 148 Ca -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.68 2i2t n ALA 148 Cb 0.53 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.40 2i2t n ALA 148 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65