#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t s ALA 2 N 0.00 2.97 0.00 0.00 0.00 -1.26 -5.02 121.76 118.44 2i2t s ALA 2 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.58 2i2t s ALA 2 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2i2t s ALA 2 CO 0.00 -1.64 0.78 1.63 0.00 0.00 0.00 175.76 176.53 2i2t n LYS 3 N 4.45 0.00 -2.76 0.00 5.02 -1.26 -4.30 118.16 119.31 2i2t n LYS 3 Ca -0.02 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 2i2t n LYS 3 Cb 0.42 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 2i2t n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2i2t s ILE 4 N -2.86 4.16 0.00 -0.18 -1.09 -1.26 -4.91 121.20 115.06 2i2t s ILE 4 Ca 0.00 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 2i2t s ILE 4 Cb 0.00 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2i2t s ILE 4 CO 0.00 0.12 0.00 0.54 -1.23 0.00 0.00 174.94 174.37 2i2t n ARG 5 N 0.49 3.84 0.00 2.79 5.12 -1.26 -5.12 116.66 122.52 2i2t n ARG 5 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2i2t n ARG 5 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 2i2t n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2i2t n ARG 6 N 0.00 0.00 -3.57 5.56 3.00 -1.26 -4.66 116.66 115.73 2i2t n ARG 6 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2i2t n ARG 6 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 2i2t n ARG 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2i2t s ASP 7 N -2.41 5.74 0.43 6.15 1.47 -1.03 -4.31 116.67 122.71 2i2t s ASP 7 Ca 0.00 -1.38 0.02 0.00 1.18 0.00 0.00 52.55 52.37 2i2t s ASP 7 Cb 0.00 -2.03 -0.01 0.00 -0.34 0.00 0.00 42.92 40.55 2i2t s ASP 7 CO 0.00 -0.53 0.08 0.47 0.68 0.00 0.00 175.17 175.87 2i2t n ASP 8 N 4.98 2.12 -4.37 2.11 10.43 -1.26 -4.74 116.55 125.82 2i2t n ASP 8 Ca -0.11 -3.09 -0.45 0.00 2.57 0.00 0.00 54.79 53.71 2i2t n ASP 8 Cb 0.44 0.71 -0.04 0.00 1.84 0.00 0.00 41.12 44.07 2i2t n ASP 8 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2i2t s GLU 9 N -3.59 3.25 0.13 -1.24 2.56 -1.26 -3.23 118.70 115.31 2i2t s GLU 9 Ca 0.11 -1.67 0.03 0.00 0.00 0.00 0.00 54.97 53.45 2i2t s GLU 9 Cb 0.01 -4.41 -0.04 0.00 2.00 0.00 0.00 34.13 31.69 2i2t s GLU 9 CO 0.08 -1.51 0.18 0.14 -0.56 0.00 0.00 175.26 173.59 2i2t s VAL 10 N 2.06 4.85 -0.16 3.70 -7.23 -0.86 0.14 120.40 122.91 2i2t s VAL 10 Ca 0.16 -0.82 0.12 0.00 -1.81 0.00 0.00 61.98 59.63 2i2t s VAL 10 Cb -0.18 -3.44 -0.18 0.00 0.56 0.00 0.00 36.38 33.14 2i2t s VAL 10 CO 0.00 -0.03 0.34 0.00 -0.31 0.00 0.00 175.10 175.10 2i2t n ILE 11 N -0.17 0.00 -1.03 -0.62 0.00 -0.83 -2.16 119.36 114.55 2i2t n ILE 11 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 62.75 62.41 2i2t n ILE 11 Cb 0.53 0.43 0.00 0.00 0.00 0.00 0.00 39.64 40.60 2i2t n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2i2t n VAL 12 N -1.76 -3.80 -0.11 9.51 0.31 -1.26 -2.13 118.33 119.09 2i2t n VAL 12 Ca -0.01 1.55 0.00 0.00 -0.01 0.00 0.00 64.34 65.87 2i2t n VAL 12 Cb 0.29 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2i2t n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2t n LEU 13 N -0.81 0.58 -4.99 7.52 4.32 0.42 -4.41 117.00 119.64 2i2t n LEU 13 Ca 0.00 -0.71 -0.22 0.00 -0.02 0.00 0.00 56.01 55.06 2i2t n LEU 13 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2i2t n LEU 13 CO 0.00 0.15 0.46 0.28 -1.22 0.00 0.00 177.39 177.05 2i2t s THR 14 N -0.25 2.35 0.00 -5.08 -1.32 -1.17 -4.98 115.64 105.19 2i2t s THR 14 Ca 0.00 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2i2t s THR 14 Cb 0.00 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 2i2t s THR 14 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2i2t n GLY 15 N -2.59 -2.81 7.00 6.08 0.00 -1.26 -2.86 105.19 108.75 2i2t n GLY 15 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2i2t n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 16 N -1.33 0.00 -1.18 1.61 4.76 -1.26 -2.65 118.16 118.11 2i2t n LYS 16 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2i2t n LYS 16 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 2i2t n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i2t n ASP 17 N 7.73 6.87 0.00 4.39 10.43 -1.26 -4.69 116.55 140.02 2i2t n ASP 17 Ca 0.00 -2.53 0.00 0.00 2.57 0.00 0.00 54.79 54.83 2i2t n ASP 17 Cb 0.00 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 41.54 2i2t n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2i2t n LYS 18 N 4.19 0.00 -0.92 -1.24 0.00 -1.08 -3.57 118.16 115.53 2i2t n LYS 18 Ca 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.83 2i2t n LYS 18 Cb 0.23 -0.89 -0.03 0.00 0.00 0.00 0.00 35.03 34.33 2i2t n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i2t n GLY 19 N -0.35 3.50 0.00 3.14 0.00 -1.26 -3.97 105.19 106.24 2i2t n GLY 19 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2i2t n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 20 N 1.19 0.60 -3.71 1.61 3.00 -0.91 -5.02 118.16 114.92 2i2t n LYS 20 Ca 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.50 2i2t n LYS 20 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.62 2i2t n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2i2t s ARG 21 N -2.00 1.51 0.00 1.64 1.81 -1.26 -4.15 118.95 116.51 2i2t s ARG 21 Ca 0.00 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2i2t s ARG 21 Cb 0.00 0.57 0.00 0.00 -0.45 0.00 0.00 34.95 35.07 2i2t s ARG 21 CO 0.00 -0.67 0.00 0.41 -0.68 0.00 0.00 175.30 174.36 2i2t n GLY 22 N -0.40 1.90 3.89 -3.53 0.00 -0.92 -4.91 105.19 101.23 2i2t n GLY 22 Ca -0.09 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2i2t n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 23 N -1.93 3.71 -0.59 1.61 1.02 -1.25 -2.02 119.74 120.28 2i2t s LYS 23 Ca 0.00 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.09 2i2t s LYS 23 Cb 0.00 -2.56 0.15 0.00 -0.52 0.00 0.00 37.83 34.90 2i2t s LYS 23 CO 0.00 0.14 0.47 0.08 -0.92 0.00 0.00 175.35 175.13 2i2t s VAL 24 N -2.15 4.52 0.17 3.17 1.01 -1.20 -1.95 120.40 123.98 2i2t s VAL 24 Ca 0.47 -2.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.07 2i2t s VAL 24 Cb -0.11 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.43 2i2t s VAL 24 CO 0.29 -0.86 1.58 0.50 0.00 0.00 0.00 175.10 176.61 2i2t h LYS 25 N 8.06 -0.21 -2.30 2.72 1.63 -0.83 -2.74 116.57 122.90 2i2t h LYS 25 Ca -0.11 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.63 2i2t h LYS 25 Cb 1.04 0.05 -0.20 0.00 -0.60 0.00 0.00 32.23 32.52 2i2t h LYS 25 CO 0.83 -0.14 0.04 0.54 -3.45 0.00 0.00 179.45 177.26 2i2t s ASN 26 N -5.12 -0.55 -0.11 4.20 6.03 -1.25 -4.58 114.94 113.55 2i2t s ASN 26 Ca -0.14 0.73 -0.03 0.00 -1.03 0.00 0.00 52.86 52.38 2i2t s ASN 26 Cb 0.14 0.69 -0.03 0.00 -3.03 0.00 0.00 41.25 39.02 2i2t s ASN 26 CO 0.68 -0.46 0.02 0.54 -2.03 0.00 0.00 177.10 175.85 2i2t s VAL 27 N -0.78 4.50 0.15 3.54 0.11 -1.26 -1.65 120.40 125.01 2i2t s VAL 27 Ca -0.08 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2i2t s VAL 27 Cb -0.02 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 2i2t s VAL 27 CO 0.06 0.58 0.13 -0.76 -3.33 0.00 0.00 175.10 171.79 2i2t s LEU 28 N -0.64 3.84 0.55 2.54 1.43 -0.42 -4.98 118.68 121.01 2i2t s LEU 28 Ca 0.11 -0.08 0.27 0.00 -1.03 0.00 0.00 54.13 53.39 2i2t s LEU 28 Cb -0.12 -2.46 1.45 0.00 0.03 0.00 0.00 46.19 45.09 2i2t s LEU 28 CO 0.02 0.09 1.99 0.77 0.23 0.00 0.00 176.35 179.45 2i2t h SER 29 N 2.58 0.00 -0.67 2.29 4.64 -2.00 -1.38 113.55 119.01 2i2t h SER 29 Ca -0.47 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.98 2i2t h SER 29 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 2i2t h SER 29 CO 0.64 0.00 -0.21 0.28 -0.87 0.00 0.00 176.83 176.68 2i2t h SER 30 N 0.00 -0.74 0.00 4.97 0.02 -2.04 -3.45 113.55 112.31 2i2t h SER 30 Ca 0.23 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2i2t h SER 30 Cb 1.01 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2i2t h SER 30 CO -0.00 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.05 2i2t n GLY 31 N -1.46 0.52 3.67 -3.77 0.00 -0.52 -5.12 105.19 98.52 2i2t n GLY 31 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2i2t n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 32 N 0.00 2.20 0.28 1.61 1.02 -1.25 -2.02 119.74 121.58 2i2t s LYS 32 Ca 0.00 -1.67 0.03 0.00 0.02 0.00 0.00 55.97 54.34 2i2t s LYS 32 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2i2t s LYS 32 CO 0.00 0.12 0.16 0.14 -0.92 0.00 0.00 175.35 174.85 2i2t s VAL 33 N -2.48 0.24 -0.22 3.17 -7.23 0.25 -1.30 120.40 112.82 2i2t s VAL 33 Ca 0.36 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2i2t s VAL 33 Cb -0.01 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2i2t s VAL 33 CO 0.21 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.22 2i2t s ILE 34 N -3.71 2.11 -0.04 -0.62 1.01 -0.66 -1.48 121.20 117.80 2i2t s ILE 34 Ca 0.37 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2i2t s ILE 34 Cb 0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2i2t s ILE 34 CO 0.17 0.24 0.06 -0.69 0.00 0.00 0.00 174.94 174.72 2i2t s VAL 35 N 1.19 4.66 0.32 2.92 1.01 -1.26 -0.23 120.40 129.02 2i2t s VAL 35 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 2i2t s VAL 35 Cb -0.17 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 2i2t s VAL 35 CO -0.09 0.46 1.29 -1.61 0.00 0.00 0.00 175.10 175.15 2i2t s GLU 36 N -1.40 4.38 -1.52 2.72 2.02 -0.82 -2.97 118.70 121.11 2i2t s GLU 36 Ca 0.19 2.18 -0.04 0.00 0.02 0.00 0.00 54.97 57.32 2i2t s GLU 36 Cb -0.12 -3.09 0.03 0.00 0.10 0.00 0.00 34.13 31.06 2i2t s GLU 36 CO 0.09 -0.16 0.33 0.41 0.02 0.00 0.00 175.26 175.95 2i2t n GLY 37 N 0.92 -0.22 0.00 -1.39 0.00 -1.26 -4.80 105.19 98.44 2i2t n GLY 37 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2i2t n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i2t n ILE 38 N -4.44 0.00 -1.02 -0.61 0.13 -1.16 -4.85 119.36 107.42 2i2t n ILE 38 Ca -0.25 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.43 2i2t n ILE 38 Cb 0.65 -0.63 0.04 0.00 -0.84 0.00 0.00 39.64 38.86 2i2t n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2i2t n ASN 39 N -2.15 1.22 -4.66 9.51 2.85 -1.26 -4.57 115.26 116.19 2i2t n ASN 39 Ca 0.00 -2.13 -0.65 0.00 -0.11 0.00 0.00 54.58 51.68 2i2t n ASN 39 Cb 0.45 -0.18 -0.09 0.00 1.24 0.00 0.00 39.78 41.19 2i2t n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i2t n LEU 40 N -0.57 0.90 0.00 1.20 -0.00 -1.24 0.23 117.00 117.53 2i2t n LEU 40 Ca 0.05 1.17 0.00 0.00 -0.00 0.00 0.00 56.01 57.23 2i2t n LEU 40 Cb 0.53 -0.88 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 2i2t n LEU 40 CO 0.00 -1.10 0.00 1.33 -0.00 0.00 0.00 177.39 177.62 2i2t n VAL 41 N 3.35 0.00 -2.63 1.47 0.24 0.50 -4.77 118.33 116.48 2i2t n VAL 41 Ca 0.28 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.55 2i2t n VAL 41 Cb -0.02 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2i2t n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2i2t n LYS 42 N 0.00 0.14 -1.60 7.34 3.00 -1.26 -4.70 118.16 121.08 2i2t n LYS 42 Ca 0.00 -0.57 -0.47 0.00 -0.00 0.00 0.00 58.31 57.27 2i2t n LYS 42 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.99 2i2t n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2i2t n LYS 43 N -0.46 1.87 -2.53 1.64 0.00 -1.17 -4.77 118.16 112.74 2i2t n LYS 43 Ca -0.24 0.61 -0.41 0.00 0.00 0.00 0.00 58.31 58.27 2i2t n LYS 43 Cb 0.62 -2.76 -0.02 0.00 0.00 0.00 0.00 35.03 32.88 2i2t n LYS 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2i2t s HIS 44 N 5.96 2.61 0.09 5.64 3.76 -1.26 -0.47 115.29 131.62 2i2t s HIS 44 Ca 0.99 -1.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 2i2t s HIS 44 Cb -0.64 -4.68 -0.10 0.00 1.11 0.00 0.00 32.58 28.27 2i2t s HIS 44 CO 0.47 -1.84 1.86 -0.65 -0.85 0.00 0.00 174.74 173.73 2i2t s GLN 45 N 4.72 4.14 -0.20 1.40 -1.52 -0.80 -4.93 119.66 122.47 2i2t s GLN 45 Ca 0.52 2.58 -0.17 0.00 -1.95 0.00 0.00 55.36 56.34 2i2t s GLN 45 Cb 0.02 -3.78 -0.04 0.00 -0.22 0.00 0.00 33.01 28.99 2i2t s GLN 45 CO 0.01 -0.87 0.43 0.21 -0.25 0.00 0.00 175.29 174.81 2i2t s LYS 46 N 3.30 4.18 1.03 2.91 2.20 -1.26 -2.59 119.74 129.51 2i2t s LYS 46 Ca 0.83 0.26 -0.21 0.00 -0.36 0.00 0.00 55.97 56.49 2i2t s LYS 46 Cb -0.44 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.27 2i2t s LYS 46 CO 0.38 -0.07 -0.67 -0.35 -0.36 0.00 0.00 175.35 174.28 2i2t n PRO 47 N 4.54 -0.51 -0.67 4.03 -0.04 -1.26 -4.83 135.00 136.25 2i2t n PRO 47 Ca -0.07 -0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.30 2i2t n PRO 47 Cb 0.51 -1.33 0.12 0.00 -0.04 0.00 0.00 33.50 32.76 2i2t n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2i2t n VAL 48 N -3.58 1.30 -1.11 0.52 3.14 -1.26 -4.99 118.33 112.35 2i2t n VAL 48 Ca 0.00 -2.03 0.00 0.00 -2.96 0.00 0.00 64.34 59.35 2i2t n VAL 48 Cb 0.65 0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 2i2t n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2i2t n PRO 49 N -0.65 -0.60 -3.07 1.45 -0.02 -1.26 -4.59 135.00 126.26 2i2t n PRO 49 Ca 0.13 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.42 2i2t n PRO 49 Cb 0.79 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.25 2i2t n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i2t n ALA 50 N -0.41 1.34 -0.94 3.55 0.00 -1.26 -5.06 120.51 117.73 2i2t n ALA 50 Ca 0.00 -2.86 0.05 0.00 0.00 0.00 0.00 53.44 50.62 2i2t n ALA 50 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2i2t n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i2t n LEU 51 N 1.06 0.00 -3.08 0.00 4.77 -1.26 -4.78 117.00 113.70 2i2t n LEU 51 Ca 0.18 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 2i2t n LEU 51 Cb 0.60 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2i2t n LEU 51 CO 0.15 -1.57 -0.01 0.59 -1.33 0.00 0.00 177.39 175.23 2i2t n ASN 52 N -2.72 -0.11 -3.02 -1.43 4.13 -1.26 -4.66 115.26 106.19 2i2t n ASN 52 Ca 0.00 -0.03 -0.28 0.00 1.68 0.00 0.00 54.58 55.95 2i2t n ASN 52 Cb 0.15 -0.04 -0.04 0.00 -1.54 0.00 0.00 39.78 38.32 2i2t n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i2t n GLN 53 N -0.77 3.42 0.16 3.52 0.00 -1.26 -4.13 117.38 118.32 2i2t n GLN 53 Ca -0.01 -4.84 -0.16 0.00 0.00 0.00 0.00 57.00 51.99 2i2t n GLN 53 Cb 0.02 -2.26 -0.09 0.00 0.00 0.00 0.00 30.24 27.90 2i2t n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2i2t h PRO 54 N 3.14 -0.77 -3.79 2.61 0.13 -1.94 -3.43 132.00 127.96 2i2t h PRO 54 Ca 0.17 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2i2t h PRO 54 Cb 0.49 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2i2t h PRO 54 CO 0.85 -0.51 -0.20 0.41 -0.23 0.00 0.00 178.00 178.32 2i2t n GLY 55 N -1.50 -1.33 3.47 1.56 0.00 -1.26 -4.89 105.19 101.23 2i2t n GLY 55 Ca -0.09 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 2i2t n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2t s GLY 56 N -1.39 -0.58 -0.92 -0.02 0.00 -1.07 -4.95 107.32 98.39 2i2t s GLY 56 Ca 0.07 0.87 -0.24 0.00 0.00 0.00 0.00 44.72 45.42 2i2t s GLY 56 CO 0.27 0.47 1.58 -0.42 0.00 0.00 0.00 173.10 174.99 2i2t s ILE 57 N -2.77 3.74 0.71 0.90 1.01 -1.26 -1.91 121.20 121.62 2i2t s ILE 57 Ca -0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2i2t s ILE 57 Cb -0.01 -4.70 0.17 0.00 0.01 0.00 0.00 42.46 37.93 2i2t s ILE 57 CO -0.05 -1.61 0.65 0.52 0.00 0.00 0.00 174.94 174.45 2i2t n VAL 58 N 7.08 0.00 -3.66 2.92 0.31 0.38 -4.88 118.33 120.48 2i2t n VAL 58 Ca 0.30 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2i2t n VAL 58 Cb 0.50 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 2i2t n VAL 58 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i2t s GLU 59 N -4.47 0.67 -0.07 5.55 2.12 -1.26 -3.05 118.70 118.19 2i2t s GLU 59 Ca 0.42 1.00 -0.29 0.00 0.36 0.00 0.00 54.97 56.45 2i2t s GLU 59 Cb -0.04 0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.67 2i2t s GLU 59 CO 0.32 -0.12 0.86 0.21 -0.54 0.00 0.00 175.26 175.99 2i2t s LYS 60 N 1.01 0.82 -0.06 4.30 2.20 -1.26 -4.92 119.74 121.83 2i2t s LYS 60 Ca -0.05 0.00 -0.33 0.00 -0.36 0.00 0.00 55.97 55.22 2i2t s LYS 60 Cb -0.05 0.38 -0.11 0.00 -1.51 0.00 0.00 37.83 36.54 2i2t s LYS 60 CO -0.09 -0.30 1.89 -0.85 -0.36 0.00 0.00 175.35 175.64 2i2t n GLU 61 N 0.41 2.30 0.26 4.03 0.00 -1.26 -0.37 120.64 126.02 2i2t n GLU 61 Ca -0.12 0.84 0.15 0.00 0.00 0.00 0.00 57.16 58.03 2i2t n GLU 61 Cb 0.59 -2.71 0.69 0.00 0.00 0.00 0.00 31.44 30.02 2i2t n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2t h ALA 62 N 9.38 1.08 -1.84 -1.84 0.00 -0.52 -3.44 119.26 122.07 2i2t h ALA 62 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2i2t h ALA 62 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2i2t h ALA 62 CO 0.95 0.12 -0.29 0.00 0.00 0.00 0.00 179.25 180.03 2i2t n ALA 63 N -2.18 -2.71 -2.48 0.00 0.00 -1.26 -5.04 120.51 106.85 2i2t n ALA 63 Ca -0.01 0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 2i2t n ALA 63 Cb 0.30 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 2i2t n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2i2t s ILE 64 N -0.42 2.08 1.09 0.00 2.07 -0.55 -4.84 121.20 120.62 2i2t s ILE 64 Ca 0.00 -1.73 -0.12 0.00 -1.41 0.00 0.00 60.65 57.39 2i2t s ILE 64 Cb 0.00 -2.80 0.24 0.00 0.13 0.00 0.00 42.46 40.03 2i2t s ILE 64 CO 0.00 0.00 1.06 -1.10 -1.91 0.00 0.00 174.94 172.99 2i2t s GLN 65 N -3.93 -0.30 -0.03 3.50 -0.21 -1.26 0.84 119.66 118.27 2i2t s GLN 65 Ca 0.36 0.94 -0.16 0.00 0.02 0.00 0.00 55.36 56.52 2i2t s GLN 65 Cb 0.03 -1.62 -0.32 0.00 1.00 0.00 0.00 33.01 32.10 2i2t s GLN 65 CO 0.20 -3.34 0.83 -0.24 -2.12 0.00 0.00 175.29 170.62 2i2t h VAL 66 N -2.35 1.20 0.00 1.09 3.04 -1.71 -3.30 116.25 114.21 2i2t h VAL 66 Ca -0.57 -2.57 0.00 0.00 -1.01 0.00 0.00 66.70 62.55 2i2t h VAL 66 Cb 1.32 2.96 0.00 0.00 -2.01 0.00 0.00 31.29 33.55 2i2t h VAL 66 CO 0.50 0.79 0.00 -1.54 -1.01 0.00 0.00 177.57 176.31 2i2t n SER 67 N -3.80 0.00 0.07 3.17 3.41 -1.26 -0.34 113.62 114.87 2i2t n SER 67 Ca -0.20 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2i2t n SER 67 Cb 1.01 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.63 2i2t n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2i2t n ASN 68 N -1.37 0.72 -4.64 4.04 3.02 -1.24 -4.93 115.26 110.85 2i2t n ASN 68 Ca 0.00 0.14 -0.24 0.00 -0.03 0.00 0.00 54.58 54.45 2i2t n ASN 68 Cb 0.01 0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 2i2t n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2i2t s VAL 69 N -3.28 2.76 -0.18 2.41 -7.23 0.54 0.16 120.40 115.58 2i2t s VAL 69 Ca 0.02 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 2i2t s VAL 69 Cb 0.12 -2.80 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2i2t s VAL 69 CO 0.78 -0.23 0.48 0.00 -0.31 0.00 0.00 175.10 175.82 2i2t s ALA 70 N -2.48 -1.18 1.26 1.32 0.00 -1.26 -4.89 121.76 114.53 2i2t s ALA 70 Ca 0.34 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 2i2t s ALA 70 Cb -0.01 -0.80 0.28 0.00 0.00 0.00 0.00 23.12 22.58 2i2t s ALA 70 CO 0.20 -0.23 0.63 0.44 0.00 0.00 0.00 175.76 176.79 2i2t n ILE 71 N 2.95 0.00 -4.02 0.00 -5.35 -1.26 -1.96 119.36 109.71 2i2t n ILE 71 Ca -0.14 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 2i2t n ILE 71 Cb 0.57 -0.71 -0.16 0.00 -1.74 0.00 0.00 39.64 37.59 2i2t n ILE 71 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2i2t s PHE 72 N -1.91 2.25 -0.62 4.28 5.36 0.38 -3.44 117.98 124.28 2i2t s PHE 72 Ca 0.49 -1.30 0.17 0.00 -0.96 0.00 0.00 56.93 55.33 2i2t s PHE 72 Cb -0.09 -1.63 0.78 0.00 -0.34 0.00 0.00 43.02 41.75 2i2t s PHE 72 CO 0.41 -0.69 1.53 0.27 -1.46 0.00 0.00 175.22 175.27 2i2t n ASN 73 N 4.75 0.38 0.00 6.13 2.04 0.30 -4.81 115.26 124.04 2i2t n ASN 73 Ca -0.17 0.62 0.00 0.00 -0.44 0.00 0.00 54.58 54.59 2i2t n ASN 73 Cb 0.50 -0.69 0.00 0.00 -2.53 0.00 0.00 39.78 37.05 2i2t n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2i2t n ALA 74 N -1.67 0.00 -0.62 -2.53 0.00 -1.26 -4.58 120.51 109.85 2i2t n ALA 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2i2t n ALA 74 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2i2t n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 75 N 0.00 -0.16 -0.14 0.00 0.00 -1.26 -4.08 120.51 114.88 2i2t n ALA 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2i2t n ALA 75 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2i2t n ALA 75 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2i2t h THR 76 N 0.00 1.24 0.00 0.00 1.35 -2.00 -3.47 112.91 110.03 2i2t h THR 76 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2i2t h THR 76 Cb 0.00 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2i2t h THR 76 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2i2t n GLY 77 N -0.49 0.92 0.00 5.82 0.00 -1.26 -5.12 105.19 105.06 2i2t n GLY 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2i2t n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 78 N 0.00 0.00 -2.71 1.61 4.81 -1.26 -4.99 118.16 115.62 2i2t n LYS 78 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2i2t n LYS 78 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 2i2t n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2t s ALA 79 N -1.00 3.99 -0.33 3.14 0.00 -1.22 0.11 121.76 126.45 2i2t s ALA 79 Ca 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.27 2i2t s ALA 79 Cb 0.00 -1.90 0.11 0.00 0.00 0.00 0.00 23.12 21.34 2i2t s ALA 79 CO 0.00 -1.12 1.10 -3.47 0.00 0.00 0.00 175.76 172.28 2i2t n ASP 80 N -2.55 -1.25 0.00 0.00 4.64 -1.26 -4.72 116.55 111.41 2i2t n ASP 80 Ca 0.13 -1.77 0.00 0.00 -1.38 0.00 0.00 54.79 51.77 2i2t n ASP 80 Cb 0.60 1.01 0.00 0.00 -1.04 0.00 0.00 41.12 41.70 2i2t n ASP 80 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2i2t n ARG 81 N -0.51 0.00 0.00 -0.67 1.74 -1.26 -2.41 116.66 113.56 2i2t n ARG 81 Ca -0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2i2t n ARG 81 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 2i2t n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2i2t n VAL 82 N 0.00 0.00 -1.48 1.55 0.31 -1.26 -4.75 118.33 112.70 2i2t n VAL 82 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 2i2t n VAL 82 Cb 0.00 -0.09 -0.06 0.00 -0.91 0.00 0.00 33.84 32.78 2i2t n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i2t n GLY 83 N 0.35 -3.65 2.76 2.92 0.00 -1.24 -0.19 105.19 106.14 2i2t n GLY 83 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2i2t n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i2t s PHE 84 N -4.72 -0.08 0.00 1.61 0.40 -1.26 -3.28 117.98 110.65 2i2t s PHE 84 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2i2t s PHE 84 Cb 0.00 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.17 2i2t s PHE 84 CO 0.00 -0.28 0.00 -2.13 0.70 0.00 0.00 175.22 173.51 2i2t n ARG 85 N 5.31 0.00 0.00 0.44 0.00 0.19 -5.03 116.66 117.58 2i2t n ARG 85 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2i2t n ARG 85 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2i2t n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2i2t n PHE 86 N -0.47 0.00 0.00 -0.14 -0.00 -0.79 -4.19 117.46 111.87 2i2t n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2i2t n PHE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2i2t n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2i2t n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.09 120.64 110.16 2i2t n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2i2t n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2i2t n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2i2t n ASP 88 N 0.00 0.00 0.00 -1.84 4.64 -1.26 -4.98 116.55 113.11 2i2t n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2i2t n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2i2t n ASP 88 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2i2t n GLY 89 N 3.24 0.00 3.82 0.27 0.00 -1.26 -5.08 105.19 106.19 2i2t n GLY 89 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2i2t n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 90 N -1.31 1.47 -0.07 1.61 1.02 -1.26 -5.04 119.74 116.16 2i2t s LYS 90 Ca 0.00 0.26 -0.06 0.00 0.02 0.00 0.00 55.97 56.19 2i2t s LYS 90 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2i2t s LYS 90 CO 0.00 -1.96 -0.11 1.17 -0.92 0.00 0.00 175.35 173.53 2i2t n LYS 91 N -3.60 0.22 -1.45 1.68 4.81 -1.26 -4.34 118.16 114.22 2i2t n LYS 91 Ca 0.07 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2i2t n LYS 91 Cb 0.60 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.56 2i2t n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2i2t n VAL 92 N -3.36 -4.75 -2.16 3.15 0.31 -1.26 -1.88 118.33 108.39 2i2t n VAL 92 Ca -0.04 2.09 -0.20 0.00 -0.01 0.00 0.00 64.34 66.18 2i2t n VAL 92 Cb 0.16 -2.92 0.12 0.00 -0.91 0.00 0.00 33.84 30.29 2i2t n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i2t n ARG 93 N 0.10 -0.39 -3.42 5.55 1.74 -1.22 -0.64 116.66 118.38 2i2t n ARG 93 Ca 0.00 -1.85 0.03 0.00 -0.77 0.00 0.00 57.85 55.26 2i2t n ARG 93 Cb 0.00 -0.74 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 2i2t n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2i2t s PHE 94 N -2.69 -0.15 0.26 -1.55 -0.12 0.73 -3.07 117.98 111.40 2i2t s PHE 94 Ca 0.53 0.27 -0.31 0.00 -0.05 0.00 0.00 56.93 57.38 2i2t s PHE 94 Cb -0.02 0.09 -0.11 0.00 -0.63 0.00 0.00 43.02 42.34 2i2t s PHE 94 CO 0.36 -0.07 1.62 -0.06 -0.05 0.00 0.00 175.22 177.01 2i2t s PHE 95 N 1.63 2.82 1.22 3.49 0.40 -1.26 -3.67 117.98 122.60 2i2t s PHE 95 Ca -0.04 0.68 -0.20 0.00 -0.60 0.00 0.00 56.93 56.77 2i2t s PHE 95 Cb -0.02 -4.07 0.30 0.00 0.51 0.00 0.00 43.02 39.74 2i2t s PHE 95 CO -0.14 -3.71 1.12 0.15 0.70 0.00 0.00 175.22 173.35 2i2t s LYS 96 N -0.02 -1.37 0.00 0.44 -0.14 -1.01 -0.54 119.74 117.09 2i2t s LYS 96 Ca 0.66 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 2i2t s LYS 96 Cb -0.48 -1.59 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 2i2t s LYS 96 CO 0.43 -3.79 0.00 -1.13 -0.76 0.00 0.00 175.35 170.10 2i2t n SER 97 N -4.80 0.00 -0.00 2.83 3.41 -1.26 -3.82 113.62 109.97 2i2t n SER 97 Ca 0.15 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.82 2i2t n SER 97 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 2i2t n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2i2t n ASN 98 N 1.15 2.00 -1.40 4.04 0.23 -1.25 -4.98 115.26 115.05 2i2t n ASN 98 Ca 0.00 -0.09 -0.16 0.00 -0.53 0.00 0.00 54.58 53.80 2i2t n ASN 98 Cb 0.00 1.50 -0.05 0.00 -2.08 0.00 0.00 39.78 39.14 2i2t n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2i2t n SER 99 N -1.85 -4.91 -0.32 0.53 7.64 0.29 -4.89 113.62 110.11 2i2t n SER 99 Ca -0.02 0.29 -0.08 0.00 1.01 0.00 0.00 58.87 60.07 2i2t n SER 99 Cb 0.30 -3.88 -0.07 0.00 -1.01 0.00 0.00 64.21 59.55 2i2t n SER 99 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2i2t n GLU 100 N -2.54 -0.33 -1.57 1.43 4.07 -1.13 -4.79 120.64 115.79 2i2t n GLU 100 Ca -0.17 1.14 -0.00 0.00 -0.06 0.00 0.00 57.16 58.07 2i2t n GLU 100 Cb 0.56 -1.67 -0.00 0.00 -0.06 0.00 0.00 31.44 30.27 2i2t n GLU 100 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2i2t n THR 101 N -4.94 -2.71 -0.53 6.31 -1.04 -1.26 -4.90 114.28 105.22 2i2t n THR 101 Ca 0.02 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2i2t n THR 101 Cb 0.20 -4.14 0.00 0.00 -1.82 0.00 0.00 70.33 64.57 2i2t n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43