#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2v s ALA 2 N 0.00 2.94 0.00 0.00 0.00 -1.26 -5.02 121.76 118.42 2i2v s ALA 2 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2i2v s ALA 2 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2i2v s ALA 2 CO 0.00 -1.65 0.78 1.63 0.00 0.00 0.00 175.76 176.52 2i2v n LYS 3 N 4.41 0.00 -2.78 0.00 5.02 -1.26 -4.28 118.16 119.26 2i2v n LYS 3 Ca -0.01 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.69 2i2v n LYS 3 Cb 0.42 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 2i2v n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2i2v s ILE 4 N -2.91 4.21 0.00 -0.18 -1.09 -1.26 -4.91 121.20 115.05 2i2v s ILE 4 Ca 0.00 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 2i2v s ILE 4 Cb 0.00 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2i2v s ILE 4 CO 0.00 0.15 0.00 0.54 -1.23 0.00 0.00 174.94 174.40 2i2v n ARG 5 N 0.58 3.84 0.00 2.79 5.12 -1.26 -5.12 116.66 122.61 2i2v n ARG 5 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2i2v n ARG 5 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 2i2v n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2i2v n ARG 6 N 0.00 0.00 -3.57 5.56 3.00 -1.26 -4.65 116.66 115.73 2i2v n ARG 6 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2i2v n ARG 6 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 2i2v n ARG 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2i2v s ASP 7 N -2.45 5.74 0.44 6.15 1.47 -1.01 -4.31 116.67 122.69 2i2v s ASP 7 Ca 0.00 -1.32 0.02 0.00 1.18 0.00 0.00 52.55 52.43 2i2v s ASP 7 Cb 0.00 -2.02 -0.01 0.00 -0.34 0.00 0.00 42.92 40.55 2i2v s ASP 7 CO 0.00 -0.51 0.09 0.47 0.68 0.00 0.00 175.17 175.90 2i2v n ASP 8 N 4.98 2.03 -4.37 2.11 10.43 -1.26 -4.74 116.55 125.73 2i2v n ASP 8 Ca -0.11 -3.14 -0.45 0.00 2.57 0.00 0.00 54.79 53.66 2i2v n ASP 8 Cb 0.44 0.76 -0.04 0.00 1.84 0.00 0.00 41.12 44.12 2i2v n ASP 8 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2i2v s GLU 9 N -3.62 3.27 0.13 -1.24 2.56 -1.26 -3.21 118.70 115.33 2i2v s GLU 9 Ca 0.13 -1.69 0.03 0.00 0.00 0.00 0.00 54.97 53.44 2i2v s GLU 9 Cb 0.01 -4.43 -0.04 0.00 2.00 0.00 0.00 34.13 31.67 2i2v s GLU 9 CO 0.09 -1.52 0.18 0.14 -0.56 0.00 0.00 175.26 173.59 2i2v s VAL 10 N 2.05 4.89 -0.15 3.70 -7.23 -0.86 0.14 120.40 122.94 2i2v s VAL 10 Ca 0.16 -0.80 0.13 0.00 -1.81 0.00 0.00 61.98 59.66 2i2v s VAL 10 Cb -0.18 -3.46 -0.18 0.00 0.56 0.00 0.00 36.38 33.12 2i2v s VAL 10 CO -0.00 -0.02 0.33 0.00 -0.31 0.00 0.00 175.10 175.10 2i2v n ILE 11 N -0.17 0.00 -1.04 -0.62 0.00 -0.81 -2.15 119.36 114.57 2i2v n ILE 11 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 62.75 62.41 2i2v n ILE 11 Cb 0.53 0.40 0.00 0.00 0.00 0.00 0.00 39.64 40.57 2i2v n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2i2v n VAL 12 N -1.78 -3.79 -0.10 9.51 0.31 -1.26 -2.16 118.33 119.06 2i2v n VAL 12 Ca -0.01 1.55 0.00 0.00 -0.01 0.00 0.00 64.34 65.87 2i2v n VAL 12 Cb 0.29 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2i2v n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2v n LEU 13 N -0.76 0.64 -4.99 7.52 4.32 0.43 -4.40 117.00 119.75 2i2v n LEU 13 Ca 0.00 -0.75 -0.22 0.00 -0.02 0.00 0.00 56.01 55.01 2i2v n LEU 13 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 2i2v n LEU 13 CO 0.00 0.16 0.47 0.28 -1.22 0.00 0.00 177.39 177.08 2i2v s THR 14 N -0.23 2.31 0.00 -5.08 -1.32 -1.17 -4.98 115.64 105.17 2i2v s THR 14 Ca 0.00 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2i2v s THR 14 Cb 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2i2v s THR 14 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2i2v n GLY 15 N -2.62 -2.98 7.00 6.08 0.00 -1.26 -2.85 105.19 108.57 2i2v n GLY 15 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2i2v n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2v n LYS 16 N -1.36 0.00 -1.18 1.61 4.76 -1.26 -2.59 118.16 118.14 2i2v n LYS 16 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2i2v n LYS 16 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2i2v n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i2v n ASP 17 N 7.66 7.30 0.00 4.39 10.43 -1.26 -4.69 116.55 140.38 2i2v n ASP 17 Ca 0.00 -2.52 0.00 0.00 2.57 0.00 0.00 54.79 54.84 2i2v n ASP 17 Cb 0.00 -1.43 0.00 0.00 1.84 0.00 0.00 41.12 41.53 2i2v n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2i2v n LYS 18 N 3.98 0.00 -0.93 -1.24 0.00 -1.07 -3.52 118.16 115.39 2i2v n LYS 18 Ca 0.67 0.01 -0.13 0.00 0.00 0.00 0.00 58.31 58.86 2i2v n LYS 18 Cb 0.22 -0.91 -0.03 0.00 0.00 0.00 0.00 35.03 34.31 2i2v n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i2v n GLY 19 N -0.42 3.52 0.00 3.14 0.00 -1.26 -3.98 105.19 106.19 2i2v n GLY 19 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2i2v n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2v n LYS 20 N 1.17 0.65 -3.65 1.61 3.00 -0.92 -5.02 118.16 115.01 2i2v n LYS 20 Ca 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.50 2i2v n LYS 20 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.62 2i2v n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2i2v s ARG 21 N -1.83 1.49 0.00 1.64 1.81 -1.26 -4.17 118.95 116.63 2i2v s ARG 21 Ca 0.00 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2i2v s ARG 21 Cb 0.00 0.58 0.00 0.00 -0.45 0.00 0.00 34.95 35.08 2i2v s ARG 21 CO 0.00 -0.66 0.00 0.41 -0.68 0.00 0.00 175.30 174.37 2i2v n GLY 22 N -0.40 1.93 3.89 -3.53 0.00 -0.92 -4.91 105.19 101.25 2i2v n GLY 22 Ca -0.11 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 2i2v n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2v s LYS 23 N -1.95 3.71 -0.59 1.61 1.02 -1.25 -2.02 119.74 120.28 2i2v s LYS 23 Ca 0.00 0.24 -0.09 0.00 0.02 0.00 0.00 55.97 56.14 2i2v s LYS 23 Cb 0.00 -2.52 0.15 0.00 -0.52 0.00 0.00 37.83 34.94 2i2v s LYS 23 CO 0.00 0.09 0.47 0.08 -0.92 0.00 0.00 175.35 175.07 2i2v s VAL 24 N -2.22 4.47 0.17 3.17 1.01 -1.20 -2.03 120.40 123.78 2i2v s VAL 24 Ca 0.48 -2.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 2i2v s VAL 24 Cb -0.10 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2i2v s VAL 24 CO 0.30 -0.86 1.58 0.50 0.00 0.00 0.00 175.10 176.62 2i2v h LYS 25 N 8.02 -0.21 -2.29 2.72 1.63 -0.87 -2.69 116.57 122.87 2i2v h LYS 25 Ca -0.10 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 2i2v h LYS 25 Cb 1.04 0.05 -0.20 0.00 -0.60 0.00 0.00 32.23 32.52 2i2v h LYS 25 CO 0.82 -0.14 0.04 0.54 -3.45 0.00 0.00 179.45 177.25 2i2v s ASN 26 N -5.13 -0.56 -0.11 4.20 6.03 -1.25 -4.57 114.94 113.55 2i2v s ASN 26 Ca -0.14 0.75 -0.03 0.00 -1.03 0.00 0.00 52.86 52.40 2i2v s ASN 26 Cb 0.14 0.72 -0.03 0.00 -3.03 0.00 0.00 41.25 39.04 2i2v s ASN 26 CO 0.68 -0.45 0.03 0.54 -2.03 0.00 0.00 177.10 175.86 2i2v s VAL 27 N -0.74 4.54 0.15 3.54 0.11 -1.26 -1.67 120.40 125.07 2i2v s VAL 27 Ca -0.08 -0.15 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2i2v s VAL 27 Cb -0.02 -2.94 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2i2v s VAL 27 CO 0.06 0.58 0.14 -0.76 -3.33 0.00 0.00 175.10 171.79 2i2v s LEU 28 N -0.66 3.83 0.54 2.54 1.43 -0.46 -4.98 118.68 120.91 2i2v s LEU 28 Ca 0.11 -0.10 0.26 0.00 -1.03 0.00 0.00 54.13 53.37 2i2v s LEU 28 Cb -0.12 -2.45 1.42 0.00 0.03 0.00 0.00 46.19 45.08 2i2v s LEU 28 CO 0.02 0.08 1.99 0.77 0.23 0.00 0.00 176.35 179.44 2i2v h SER 29 N 2.49 0.00 -0.68 2.29 4.64 -2.00 -1.66 113.55 118.64 2i2v h SER 29 Ca -0.48 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.97 2i2v h SER 29 Cb 1.20 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 2i2v h SER 29 CO 0.64 0.00 -0.29 0.28 -0.87 0.00 0.00 176.83 176.59 2i2v h SER 30 N 0.00 -1.04 0.00 4.97 0.02 -2.04 -3.45 113.55 112.02 2i2v h SER 30 Ca 0.25 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2i2v h SER 30 Cb 1.03 0.56 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2i2v h SER 30 CO -0.00 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.01 2i2v n GLY 31 N -1.46 0.32 3.66 -3.77 0.00 -0.62 -5.12 105.19 98.20 2i2v n GLY 31 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2i2v n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2v s LYS 32 N 0.00 2.13 0.29 1.61 1.02 -1.26 -2.03 119.74 121.50 2i2v s LYS 32 Ca 0.00 -1.75 0.03 0.00 0.02 0.00 0.00 55.97 54.27 2i2v s LYS 32 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2i2v s LYS 32 CO 0.00 0.10 0.17 0.14 -0.92 0.00 0.00 175.35 174.84 2i2v s VAL 33 N -2.52 0.22 -0.22 3.17 -7.23 0.25 -1.36 120.40 112.71 2i2v s VAL 33 Ca 0.36 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2i2v s VAL 33 Cb 0.01 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.48 2i2v s VAL 33 CO 0.20 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.21 2i2v s ILE 34 N -3.68 2.09 -0.07 -0.62 1.01 -0.67 -1.45 121.20 117.81 2i2v s ILE 34 Ca 0.37 -1.31 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2i2v s ILE 34 Cb 0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2i2v s ILE 34 CO 0.18 0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.70 2i2v s VAL 35 N 1.20 4.68 0.36 2.92 1.01 -1.26 -0.29 120.40 129.02 2i2v s VAL 35 Ca -0.03 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 2i2v s VAL 35 Cb -0.17 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2i2v s VAL 35 CO -0.08 0.53 1.32 -1.61 0.00 0.00 0.00 175.10 175.26 2i2v s GLU 36 N -1.16 4.20 -1.55 2.72 2.02 -0.86 -2.85 118.70 121.21 2i2v s GLU 36 Ca 0.16 2.23 -0.05 0.00 0.02 0.00 0.00 54.97 57.34 2i2v s GLU 36 Cb -0.12 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.20 2i2v s GLU 36 CO 0.06 -0.32 0.28 0.41 0.02 0.00 0.00 175.26 175.71 2i2v n GLY 37 N 0.72 -0.22 0.00 -1.39 0.00 -1.26 -4.81 105.19 98.23 2i2v n GLY 37 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2i2v n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i2v n ILE 38 N -4.45 0.00 -0.89 -0.61 0.13 -1.13 -4.84 119.36 107.56 2i2v n ILE 38 Ca -0.23 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.44 2i2v n ILE 38 Cb 0.65 -0.65 0.04 0.00 -0.84 0.00 0.00 39.64 38.83 2i2v n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2i2v n ASN 39 N -2.22 1.25 -4.34 9.51 2.85 -1.26 -4.57 115.26 116.48 2i2v n ASN 39 Ca 0.00 -2.06 -0.61 0.00 -0.11 0.00 0.00 54.58 51.81 2i2v n ASN 39 Cb 0.47 -0.15 -0.09 0.00 1.24 0.00 0.00 39.78 41.25 2i2v n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i2v n LEU 40 N -0.54 0.83 0.00 1.20 -0.00 -1.23 -0.13 117.00 117.13 2i2v n LEU 40 Ca 0.04 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.15 2i2v n LEU 40 Cb 0.50 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 2i2v n LEU 40 CO 0.00 -1.04 0.00 1.33 -0.00 0.00 0.00 177.39 177.69 2i2v n VAL 41 N 3.10 0.00 -2.63 1.47 0.24 0.65 -4.78 118.33 116.38 2i2v n VAL 41 Ca 0.26 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.53 2i2v n VAL 41 Cb -0.02 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2i2v n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2i2v n LYS 42 N 0.00 0.09 -1.60 7.34 3.00 -1.26 -4.70 118.16 121.02 2i2v n LYS 42 Ca 0.00 -0.50 -0.48 0.00 -0.00 0.00 0.00 58.31 57.33 2i2v n LYS 42 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2i2v n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2i2v n LYS 43 N -0.43 1.85 -2.56 1.64 0.00 -1.17 -4.76 118.16 112.73 2i2v n LYS 43 Ca -0.24 0.61 -0.42 0.00 0.00 0.00 0.00 58.31 58.26 2i2v n LYS 43 Cb 0.61 -2.73 -0.01 0.00 0.00 0.00 0.00 35.03 32.90 2i2v n LYS 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2i2v s HIS 44 N 5.84 2.65 0.11 5.64 3.76 -1.26 -0.40 115.29 131.63 2i2v s HIS 44 Ca 0.99 -1.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.35 2i2v s HIS 44 Cb -0.66 -4.71 -0.10 0.00 1.11 0.00 0.00 32.58 28.22 2i2v s HIS 44 CO 0.48 -1.85 1.87 1.04 -0.85 0.00 0.00 174.74 175.42 2i2v n GLN 45 N 8.60 2.85 -3.39 1.40 1.13 -0.84 -4.93 117.38 122.20 2i2v n GLN 45 Ca 0.42 1.04 -0.38 0.00 -1.94 0.00 0.00 57.00 56.14 2i2v n GLN 45 Cb 0.48 -2.95 -0.08 0.00 0.11 0.00 0.00 30.24 27.81 2i2v n GLN 45 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2i2v s LYS 46 N 3.04 4.17 1.03 -1.09 2.20 -1.26 -2.68 119.74 125.13 2i2v s LYS 46 Ca 0.83 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 56.42 2i2v s LYS 46 Cb -0.46 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.25 2i2v s LYS 46 CO 0.38 -0.05 -0.67 -0.35 -0.36 0.00 0.00 175.35 174.30 2i2v n PRO 47 N 4.51 -0.50 -0.66 4.03 -0.04 -1.26 -4.83 135.00 136.24 2i2v n PRO 47 Ca -0.08 -0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.30 2i2v n PRO 47 Cb 0.51 -1.33 0.12 0.00 -0.04 0.00 0.00 33.50 32.76 2i2v n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2i2v n VAL 48 N -3.57 1.27 -1.14 0.52 3.14 -1.26 -4.99 118.33 112.30 2i2v n VAL 48 Ca 0.00 -1.97 0.00 0.00 -2.96 0.00 0.00 64.34 59.41 2i2v n VAL 48 Cb 0.65 0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 2i2v n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2i2v n PRO 49 N -0.64 -0.60 -3.06 1.45 -0.02 -1.26 -4.59 135.00 126.28 2i2v n PRO 49 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.42 2i2v n PRO 49 Cb 0.79 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.25 2i2v n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i2v n ALA 50 N -0.42 1.25 -0.96 3.55 0.00 -1.26 -5.06 120.51 117.60 2i2v n ALA 50 Ca 0.00 -2.81 0.06 0.00 0.00 0.00 0.00 53.44 50.68 2i2v n ALA 50 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2i2v n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i2v n LEU 51 N 1.05 0.00 -3.15 0.00 4.77 -1.26 -4.78 117.00 113.63 2i2v n LEU 51 Ca 0.18 0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 56.58 2i2v n LEU 51 Cb 0.60 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2i2v n LEU 51 CO 0.15 -1.64 -0.01 0.59 -1.33 0.00 0.00 177.39 175.15 2i2v n ASN 52 N -2.80 -0.26 -3.03 -1.43 4.13 -1.26 -4.66 115.26 105.95 2i2v n ASN 52 Ca 0.00 -0.07 -0.29 0.00 1.68 0.00 0.00 54.58 55.91 2i2v n ASN 52 Cb 0.18 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 2i2v n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i2v n GLN 53 N -0.90 3.47 0.17 3.52 0.00 -1.26 -4.13 117.38 118.25 2i2v n GLN 53 Ca -0.01 -4.84 -0.17 0.00 0.00 0.00 0.00 57.00 51.97 2i2v n GLN 53 Cb 0.04 -2.27 -0.10 0.00 0.00 0.00 0.00 30.24 27.91 2i2v n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2i2v h PRO 54 N 3.14 -0.81 -3.74 2.61 0.13 -1.94 -3.43 132.00 127.96 2i2v h PRO 54 Ca 0.17 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2i2v h PRO 54 Cb 0.49 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2i2v h PRO 54 CO 0.86 -0.54 -0.18 0.41 -0.23 0.00 0.00 178.00 178.31 2i2v n GLY 55 N -1.52 -1.17 3.47 1.56 0.00 -1.26 -4.89 105.19 101.37 2i2v n GLY 55 Ca -0.10 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2i2v n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2v s GLY 56 N -1.41 -0.59 -0.92 -0.02 0.00 -1.09 -4.95 107.32 98.33 2i2v s GLY 56 Ca 0.07 0.89 -0.24 0.00 0.00 0.00 0.00 44.72 45.44 2i2v s GLY 56 CO 0.25 0.52 1.62 -0.42 0.00 0.00 0.00 173.10 175.08 2i2v s ILE 57 N -2.59 3.70 0.69 0.90 1.01 -1.26 -1.98 121.20 121.67 2i2v s ILE 57 Ca -0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2i2v s ILE 57 Cb -0.01 -4.62 0.17 0.00 0.01 0.00 0.00 42.46 38.01 2i2v s ILE 57 CO -0.03 -1.53 0.62 0.52 0.00 0.00 0.00 174.94 174.52 2i2v n VAL 58 N 7.18 0.00 -3.65 2.92 0.31 0.46 -4.88 118.33 120.67 2i2v n VAL 58 Ca 0.31 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2i2v n VAL 58 Cb 0.50 -1.14 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 2i2v n VAL 58 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i2v s GLU 59 N -4.40 0.68 -0.03 5.55 2.12 -1.26 -3.05 118.70 118.31 2i2v s GLU 59 Ca 0.40 1.05 -0.29 0.00 0.36 0.00 0.00 54.97 56.49 2i2v s GLU 59 Cb -0.04 0.20 0.10 0.00 0.26 0.00 0.00 34.13 34.65 2i2v s GLU 59 CO 0.30 -0.13 0.82 0.21 -0.54 0.00 0.00 175.26 175.92 2i2v s LYS 60 N 1.14 0.90 -0.02 4.30 2.20 -1.26 -4.92 119.74 122.07 2i2v s LYS 60 Ca -0.06 -0.07 -0.33 0.00 -0.36 0.00 0.00 55.97 55.15 2i2v s LYS 60 Cb -0.05 0.42 -0.11 0.00 -1.51 0.00 0.00 37.83 36.58 2i2v s LYS 60 CO -0.11 -0.34 1.90 -0.85 -0.36 0.00 0.00 175.35 175.58 2i2v n GLU 61 N 0.28 2.44 0.27 4.03 0.00 -1.26 -0.26 120.64 126.15 2i2v n GLU 61 Ca -0.13 0.89 0.16 0.00 0.00 0.00 0.00 57.16 58.08 2i2v n GLU 61 Cb 0.60 -2.78 0.70 0.00 0.00 0.00 0.00 31.44 29.96 2i2v n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2v h ALA 62 N 9.48 1.03 -2.07 -1.84 0.00 -0.83 -3.44 119.26 121.59 2i2v h ALA 62 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2i2v h ALA 62 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2i2v h ALA 62 CO 0.94 0.07 -0.35 0.00 0.00 0.00 0.00 179.25 179.91 2i2v n ALA 63 N -2.13 -2.65 -2.47 0.00 0.00 -1.26 -5.04 120.51 106.96 2i2v n ALA 63 Ca -0.00 0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 2i2v n ALA 63 Cb 0.30 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 2i2v n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2i2v s ILE 64 N -0.44 2.11 1.06 0.00 2.07 -0.53 -4.83 121.20 120.63 2i2v s ILE 64 Ca 0.00 -1.71 -0.12 0.00 -1.41 0.00 0.00 60.65 57.41 2i2v s ILE 64 Cb 0.00 -2.82 0.22 0.00 0.13 0.00 0.00 42.46 39.99 2i2v s ILE 64 CO 0.00 0.00 1.07 -1.10 -1.91 0.00 0.00 174.94 173.00 2i2v s GLN 65 N -3.94 -0.06 -0.02 3.50 -0.21 -1.26 0.88 119.66 118.54 2i2v s GLN 65 Ca 0.37 1.02 -0.18 0.00 0.02 0.00 0.00 55.36 56.59 2i2v s GLN 65 Cb 0.03 -1.64 -0.33 0.00 1.00 0.00 0.00 33.01 32.07 2i2v s GLN 65 CO 0.20 -3.20 0.88 -0.24 -2.12 0.00 0.00 175.29 170.81 2i2v h VAL 66 N -2.26 1.30 0.00 1.09 3.04 -1.71 -3.29 116.25 114.42 2i2v h VAL 66 Ca -0.55 -2.59 0.00 0.00 -1.01 0.00 0.00 66.70 62.55 2i2v h VAL 66 Cb 1.31 3.04 0.00 0.00 -2.01 0.00 0.00 31.29 33.63 2i2v h VAL 66 CO 0.49 0.77 0.01 -1.54 -1.01 0.00 0.00 177.57 176.29 2i2v n SER 67 N -3.87 0.00 0.07 3.17 3.41 -1.26 -0.20 113.62 114.94 2i2v n SER 67 Ca -0.18 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 2i2v n SER 67 Cb 0.98 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.59 2i2v n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2i2v n ASN 68 N -1.39 0.73 -4.62 4.04 3.02 -1.24 -4.93 115.26 110.87 2i2v n ASN 68 Ca 0.00 0.15 -0.24 0.00 -0.03 0.00 0.00 54.58 54.46 2i2v n ASN 68 Cb 0.01 0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 39.57 2i2v n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2i2v s VAL 69 N -3.27 2.87 -0.17 2.41 -7.23 0.72 0.16 120.40 115.88 2i2v s VAL 69 Ca 0.02 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 2i2v s VAL 69 Cb 0.12 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.35 2i2v s VAL 69 CO 0.77 -0.27 0.44 0.00 -0.31 0.00 0.00 175.10 175.73 2i2v s ALA 70 N -2.46 -1.10 1.28 1.32 0.00 -1.26 -4.89 121.76 114.65 2i2v s ALA 70 Ca 0.33 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 2i2v s ALA 70 Cb -0.03 -0.76 0.29 0.00 0.00 0.00 0.00 23.12 22.63 2i2v s ALA 70 CO 0.19 -0.22 0.65 0.44 0.00 0.00 0.00 175.76 176.83 2i2v n ILE 71 N 3.02 0.00 -4.06 0.00 -5.35 -1.26 -1.93 119.36 109.78 2i2v n ILE 71 Ca -0.14 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 2i2v n ILE 71 Cb 0.57 -0.74 -0.16 0.00 -1.74 0.00 0.00 39.64 37.56 2i2v n ILE 71 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2i2v s PHE 72 N -1.96 2.27 -0.60 4.28 5.36 0.38 -3.46 117.98 124.26 2i2v s PHE 72 Ca 0.51 -1.29 0.18 0.00 -0.96 0.00 0.00 56.93 55.37 2i2v s PHE 72 Cb -0.09 -1.65 0.82 0.00 -0.34 0.00 0.00 43.02 41.76 2i2v s PHE 72 CO 0.42 -0.69 1.56 0.27 -1.46 0.00 0.00 175.22 175.33 2i2v n ASN 73 N 4.72 0.41 0.00 6.13 2.04 0.29 -4.81 115.26 124.04 2i2v n ASN 73 Ca -0.18 0.63 0.00 0.00 -0.44 0.00 0.00 54.58 54.59 2i2v n ASN 73 Cb 0.50 -0.71 0.00 0.00 -2.53 0.00 0.00 39.78 37.04 2i2v n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2i2v n ALA 74 N -1.68 0.00 -0.54 -2.53 0.00 -1.26 -4.58 120.51 109.92 2i2v n ALA 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2i2v n ALA 74 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2i2v n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2v n ALA 75 N 0.00 -0.18 -0.13 0.00 0.00 -1.26 -4.11 120.51 114.83 2i2v n ALA 75 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2i2v n ALA 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2i2v n ALA 75 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2i2v h THR 76 N 0.00 1.26 0.00 0.00 1.35 -2.00 -3.47 112.91 110.05 2i2v h THR 76 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2i2v h THR 76 Cb 0.00 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2i2v h THR 76 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2i2v n GLY 77 N -0.33 0.92 0.00 5.82 0.00 -1.26 -5.12 105.19 105.22 2i2v n GLY 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2i2v n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2v n LYS 78 N 0.00 0.00 -2.70 1.61 4.81 -1.26 -4.99 118.16 115.63 2i2v n LYS 78 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2i2v n LYS 78 Cb 0.00 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 2i2v n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2v s ALA 79 N -1.00 3.99 -0.33 3.14 0.00 -1.22 0.10 121.76 126.44 2i2v s ALA 79 Ca 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.30 2i2v s ALA 79 Cb 0.00 -1.91 0.13 0.00 0.00 0.00 0.00 23.12 21.34 2i2v s ALA 79 CO 0.00 -1.08 1.12 -3.47 0.00 0.00 0.00 175.76 172.33 2i2v n ASP 80 N -2.53 -1.27 0.00 0.00 4.64 -1.26 -4.72 116.55 111.40 2i2v n ASP 80 Ca 0.13 -1.80 0.00 0.00 -1.38 0.00 0.00 54.79 51.73 2i2v n ASP 80 Cb 0.60 1.03 0.00 0.00 -1.04 0.00 0.00 41.12 41.71 2i2v n ASP 80 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2i2v n ARG 81 N -0.44 0.00 0.00 -0.67 1.74 -1.26 -2.43 116.66 113.60 2i2v n ARG 81 Ca -0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2i2v n ARG 81 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 2i2v n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2i2v n VAL 82 N 0.00 0.00 -1.50 1.55 0.31 -1.26 -4.75 118.33 112.68 2i2v n VAL 82 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2i2v n VAL 82 Cb 0.00 -0.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 2i2v n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i2v n GLY 83 N 0.34 -3.70 2.73 2.92 0.00 -1.24 -0.11 105.19 106.14 2i2v n GLY 83 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 2i2v n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i2v s PHE 84 N -4.79 -0.04 0.00 1.61 0.40 -1.26 -3.26 117.98 110.64 2i2v s PHE 84 Ca 0.00 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 2i2v s PHE 84 Cb 0.00 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.12 2i2v s PHE 84 CO 0.00 -0.29 0.00 -2.13 0.70 0.00 0.00 175.22 173.50 2i2v n ARG 85 N 5.31 0.00 0.00 0.44 0.00 0.09 -5.03 116.66 117.47 2i2v n ARG 85 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2i2v n ARG 85 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2i2v n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2i2v n PHE 86 N -0.47 0.00 0.00 -0.14 -0.00 -0.74 -4.20 117.46 111.91 2i2v n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2i2v n PHE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2i2v n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2i2v n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.09 120.64 110.16 2i2v n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2i2v n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2i2v n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2i2v n ASP 88 N 0.00 0.00 0.00 -1.84 4.64 -1.26 -4.97 116.55 113.12 2i2v n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2i2v n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2i2v n ASP 88 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2i2v n GLY 89 N 3.26 0.00 3.81 0.27 0.00 -1.26 -5.08 105.19 106.19 2i2v n GLY 89 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2i2v n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2v s LYS 90 N -1.41 1.38 -0.09 1.61 1.02 -1.26 -5.04 119.74 115.95 2i2v s LYS 90 Ca 0.00 0.27 -0.07 0.00 0.02 0.00 0.00 55.97 56.19 2i2v s LYS 90 Cb 0.00 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2i2v s LYS 90 CO 0.00 -2.03 -0.14 1.17 -0.92 0.00 0.00 175.35 173.43 2i2v n LYS 91 N -3.65 0.27 -1.47 1.68 4.81 -1.26 -4.33 118.16 114.21 2i2v n LYS 91 Ca 0.07 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2i2v n LYS 91 Cb 0.59 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.48 2i2v n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2i2v n VAL 92 N -3.59 -4.81 -2.30 3.15 0.31 -1.26 -1.80 118.33 108.03 2i2v n VAL 92 Ca -0.06 2.12 -0.23 0.00 -0.01 0.00 0.00 64.34 66.16 2i2v n VAL 92 Cb 0.21 -2.95 0.14 0.00 -0.91 0.00 0.00 33.84 30.33 2i2v n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i2v n ARG 93 N 0.03 -0.47 -3.49 5.55 1.74 -1.22 -0.73 116.66 118.08 2i2v n ARG 93 Ca 0.00 -2.25 0.02 0.00 -0.77 0.00 0.00 57.85 54.85 2i2v n ARG 93 Cb 0.00 -0.84 -0.05 0.00 -1.02 0.00 0.00 32.46 30.54 2i2v n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2i2v s PHE 94 N -3.11 -0.22 0.25 -1.55 -0.12 0.84 -2.95 117.98 111.11 2i2v s PHE 94 Ca 0.63 0.42 -0.31 0.00 -0.05 0.00 0.00 56.93 57.63 2i2v s PHE 94 Cb -0.03 0.13 -0.11 0.00 -0.63 0.00 0.00 43.02 42.39 2i2v s PHE 94 CO 0.43 -0.11 1.58 -0.06 -0.05 0.00 0.00 175.22 177.01 2i2v s PHE 95 N 1.54 2.89 1.24 3.49 0.40 -1.26 -3.62 117.98 122.66 2i2v s PHE 95 Ca -0.05 0.74 -0.21 0.00 -0.60 0.00 0.00 56.93 56.81 2i2v s PHE 95 Cb -0.02 -4.00 0.30 0.00 0.51 0.00 0.00 43.02 39.81 2i2v s PHE 95 CO -0.13 -3.48 1.12 0.15 0.70 0.00 0.00 175.22 173.58 2i2v s LYS 96 N 0.08 -1.53 0.00 0.44 -0.14 -1.02 -0.43 119.74 117.14 2i2v s LYS 96 Ca 0.65 -0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.07 2i2v s LYS 96 Cb -0.46 -1.57 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 2i2v s LYS 96 CO 0.41 -3.89 0.00 -1.13 -0.76 0.00 0.00 175.35 169.98 2i2v n SER 97 N -4.86 0.00 -0.00 2.83 3.41 -1.26 -3.80 113.62 109.93 2i2v n SER 97 Ca 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.81 2i2v n SER 97 Cb 0.60 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 2i2v n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2i2v n ASN 98 N 1.01 2.20 -1.52 4.04 0.23 -1.25 -4.98 115.26 114.99 2i2v n ASN 98 Ca 0.00 -0.12 -0.17 0.00 -0.53 0.00 0.00 54.58 53.76 2i2v n ASN 98 Cb 0.00 1.42 -0.05 0.00 -2.08 0.00 0.00 39.78 39.07 2i2v n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2i2v n SER 99 N -1.78 -5.03 -0.33 0.53 7.64 0.42 -4.89 113.62 110.19 2i2v n SER 99 Ca -0.01 0.27 -0.08 0.00 1.01 0.00 0.00 58.87 60.05 2i2v n SER 99 Cb 0.26 -4.05 -0.07 0.00 -1.01 0.00 0.00 64.21 59.34 2i2v n SER 99 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2i2v n GLU 100 N -2.55 -0.34 -1.57 1.43 4.07 -1.12 -4.79 120.64 115.78 2i2v n GLU 100 Ca -0.18 1.19 -0.00 0.00 -0.06 0.00 0.00 57.16 58.11 2i2v n GLU 100 Cb 0.59 -1.75 -0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2i2v n GLU 100 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2i2v n THR 101 N -4.99 -2.65 -0.49 6.31 -1.04 -1.26 -4.89 114.28 105.27 2i2v n THR 101 Ca 0.02 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2i2v n THR 101 Cb 0.21 -4.16 0.00 0.00 -1.82 0.00 0.00 70.33 64.56 2i2v n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43