#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mip s GLN 2 N 0.00 2.78 -0.27 0.54 -0.44 -1.26 -5.11 119.66 115.90 2mip s GLN 2 Ca 0.00 -0.87 0.03 0.00 -2.50 0.00 0.00 55.36 52.03 2mip s GLN 2 Cb 0.00 -2.26 0.07 0.00 -1.64 0.00 0.00 33.01 29.18 2mip s GLN 2 CO 0.00 0.32 -0.08 -0.06 0.50 0.00 0.00 175.29 175.96 2mip s PHE 3 N 0.00 3.35 -0.23 1.67 0.40 -1.26 -5.06 117.98 116.85 2mip s PHE 3 Ca -0.08 -2.43 -0.20 0.00 -0.60 0.00 0.00 56.93 53.62 2mip s PHE 3 Cb -0.15 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 2mip s PHE 3 CO 0.05 -0.89 0.59 -1.54 0.70 0.00 0.00 175.22 174.13 2mip s SER 4 N 1.07 6.58 0.00 1.36 1.04 -1.26 -4.94 113.70 117.55 2mip s SER 4 Ca -0.06 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2mip s SER 4 Cb -0.20 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2mip s SER 4 CO -0.05 -0.30 0.24 0.18 0.98 0.00 0.00 173.24 174.29 2mip n LEU 5 N 5.33 0.71 0.13 2.42 7.99 -1.26 -3.84 117.00 128.48 2mip n LEU 5 Ca -0.02 -0.36 0.13 0.00 -0.01 0.00 0.00 56.01 55.75 2mip n LEU 5 Cb 0.50 -0.12 0.41 0.00 -0.11 0.00 0.00 43.42 44.10 2mip n LEU 5 CO 0.43 0.12 0.88 -0.50 -1.51 0.00 0.00 177.39 176.80 2mip h TRP 6 N 1.53 0.00 -3.98 -1.77 6.55 -2.04 -3.44 115.95 112.80 2mip h TRP 6 Ca 0.00 0.00 -0.43 0.00 0.95 0.00 0.00 58.89 59.41 2mip h TRP 6 Cb 0.24 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 28.31 2mip h TRP 6 CO 0.00 0.00 -0.79 0.21 -1.05 0.00 0.00 178.44 176.82 2mip s LYS 7 N -3.17 0.86 0.21 0.49 2.36 -1.25 -5.10 119.74 114.14 2mip s LYS 7 Ca 0.09 -0.89 -0.32 0.00 -2.55 0.00 0.00 55.97 52.29 2mip s LYS 7 Cb 0.11 -0.88 -0.13 0.00 -1.05 0.00 0.00 37.83 35.88 2mip s LYS 7 CO 0.56 0.20 1.62 0.54 1.55 0.00 0.00 175.35 179.83 2mip n ARG 8 N 1.49 2.48 -2.41 4.03 1.74 -1.26 -4.82 116.66 117.91 2mip n ARG 8 Ca -0.20 0.89 -0.38 0.00 -0.77 0.00 0.00 57.85 57.40 2mip n ARG 8 Cb 0.54 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 2mip n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2mip s PRO 9 N 0.69 3.40 -0.07 5.56 0.04 -1.26 -4.93 135.00 138.43 2mip s PRO 9 Ca 0.74 -1.32 -0.02 0.00 0.04 0.00 0.00 61.00 60.44 2mip s PRO 9 Cb -0.58 -5.36 -0.03 0.00 0.04 0.00 0.00 34.50 28.56 2mip s PRO 9 CO 0.38 -2.69 0.02 0.08 0.04 0.00 0.00 177.00 174.83 2mip s VAL 10 N 6.45 4.43 0.05 -0.36 1.01 -1.26 -1.41 120.40 129.31 2mip s VAL 10 Ca 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2mip s VAL 10 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2mip s VAL 10 CO 0.02 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 2mip s VAL 11 N -0.94 0.18 -0.22 2.92 1.01 0.12 -4.94 120.40 118.52 2mip s VAL 11 Ca 0.15 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 2mip s VAL 11 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2mip s VAL 11 CO 0.04 -0.80 0.21 -0.89 0.00 0.00 0.00 175.10 173.66 2mip s THR 12 N -3.31 5.33 0.19 3.92 2.01 -1.26 0.33 115.64 122.85 2mip s THR 12 Ca 0.01 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.41 2mip s THR 12 Cb 0.03 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2mip s THR 12 CO -0.08 0.34 -0.20 0.00 -0.69 0.00 0.00 174.62 173.99 2mip s ALA 13 N 1.00 2.27 -0.22 7.40 0.00 0.02 -4.44 121.76 127.79 2mip s ALA 13 Ca 0.10 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2mip s ALA 13 Cb -0.13 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2mip s ALA 13 CO 0.04 0.28 -0.14 0.71 0.00 0.00 0.00 175.76 176.65 2mip s TYR 14 N -2.10 3.01 -0.61 0.00 1.51 0.59 0.13 117.35 119.88 2mip s TYR 14 Ca 0.20 -1.89 -0.21 0.00 -1.01 0.00 0.00 57.07 54.16 2mip s TYR 14 Cb -0.06 -1.95 0.08 0.00 -0.11 0.00 0.00 41.96 39.93 2mip s TYR 14 CO 0.09 -0.82 0.82 0.42 -1.11 0.00 0.00 175.55 174.94 2mip s ILE 15 N 1.22 4.60 -1.30 2.71 1.01 0.67 -2.38 121.20 127.72 2mip s ILE 15 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2mip s ILE 15 Cb -0.16 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 37.76 2mip s ILE 15 CO -0.09 -1.25 0.91 -0.62 0.00 0.00 0.00 174.94 173.90 2mip n GLU 16 N 6.95 -6.02 0.00 2.79 1.02 0.07 -1.78 120.64 123.67 2mip n GLU 16 Ca -0.07 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2mip n GLU 16 Cb 0.44 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 2mip n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2mip n GLY 17 N -1.49 2.97 3.72 0.62 0.00 -1.26 -5.02 105.19 104.73 2mip n GLY 17 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2mip n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2mip s GLN 18 N -0.21 4.35 0.45 1.61 -2.07 -0.73 -4.97 119.66 118.08 2mip s GLN 18 Ca 0.00 0.52 -0.20 0.00 -1.82 0.00 0.00 55.36 53.86 2mip s GLN 18 Cb 0.00 -3.45 -0.10 0.00 -1.09 0.00 0.00 33.01 28.37 2mip s GLN 18 CO 0.00 0.12 0.97 -1.25 -1.32 0.00 0.00 175.29 173.80 2mip s PRO 19 N 0.73 4.14 -0.08 9.60 0.04 -1.26 -0.24 135.00 147.93 2mip s PRO 19 Ca 0.28 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 2mip s PRO 19 Cb -0.16 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.27 2mip s PRO 19 CO 0.12 -0.11 0.52 0.54 0.04 0.00 0.00 177.00 178.10 2mip s VAL 20 N -2.20 0.02 -0.08 -0.36 0.11 0.12 -4.90 120.40 113.10 2mip s VAL 20 Ca 0.62 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 2mip s VAL 20 Cb -0.10 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2mip s VAL 20 CO 0.16 -0.09 0.47 -1.61 -3.33 0.00 0.00 175.10 170.70 2mip s GLU 21 N -0.81 4.24 0.03 1.54 2.02 -1.26 -0.80 118.70 123.66 2mip s GLU 21 Ca -0.09 0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.38 2mip s GLU 21 Cb -0.03 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2mip s GLU 21 CO 0.05 0.31 -0.07 0.14 0.02 0.00 0.00 175.26 175.71 2mip s VAL 22 N 0.12 0.51 -0.07 2.63 -7.23 0.15 -4.33 120.40 112.18 2mip s VAL 22 Ca 0.25 -0.91 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 2mip s VAL 22 Cb -0.16 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 2mip s VAL 22 CO 0.11 -0.28 0.55 -0.22 -0.31 0.00 0.00 175.10 174.95 2mip s LEU 23 N -1.29 4.33 -0.26 1.32 2.96 -0.16 0.13 118.68 125.70 2mip s LEU 23 Ca -0.08 0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 54.55 2mip s LEU 23 Cb -0.08 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2mip s LEU 23 CO 0.00 0.01 0.95 -0.76 -1.32 0.00 0.00 176.35 175.24 2mip s LEU 24 N 0.39 4.06 -0.16 -0.68 1.43 -0.50 -1.41 118.68 121.81 2mip s LEU 24 Ca 0.30 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2mip s LEU 24 Cb -0.16 -3.38 0.04 0.00 0.03 0.00 0.00 46.19 42.72 2mip s LEU 24 CO 0.14 -0.67 -0.08 -0.62 0.23 0.00 0.00 176.35 175.35 2mip s ASP 25 N 1.40 2.83 0.48 2.29 -1.08 -0.28 -4.82 116.67 117.49 2mip s ASP 25 Ca 0.40 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 52.07 2mip s ASP 25 Cb -0.14 -1.01 0.75 0.00 -1.46 0.00 0.00 42.92 41.07 2mip s ASP 25 CO 0.09 -0.15 1.76 0.71 0.52 0.00 0.00 175.17 178.11 2mip h THR 26 N 6.31 0.00 -0.27 1.71 1.35 -1.95 -3.09 112.91 116.97 2mip h THR 26 Ca -0.28 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2mip h THR 26 Cb 1.11 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2mip h THR 26 CO 0.44 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 2mip n GLY 27 N 0.68 1.17 3.08 5.82 0.00 -1.26 -4.76 105.19 109.92 2mip n GLY 27 Ca 0.03 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2mip n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mip s ALA 28 N -1.65 1.71 0.09 4.61 0.00 -1.17 -5.03 121.76 120.32 2mip s ALA 28 Ca 0.21 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 2mip s ALA 28 Cb 0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 2mip s ALA 28 CO 0.10 0.01 1.36 -0.44 0.00 0.00 0.00 175.76 176.79 2mip h ASP 29 N 7.24 0.81 -1.63 0.00 3.32 -1.87 -0.99 116.42 123.30 2mip h ASP 29 Ca -0.29 -0.54 -0.54 0.00 0.02 0.00 0.00 57.03 55.68 2mip h ASP 29 Cb 1.19 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 2mip h ASP 29 CO 0.49 1.20 -0.46 -1.81 -1.72 0.00 0.00 179.24 176.93 2mip s ASP 30 N -6.74 4.69 -0.25 6.45 1.01 -1.26 -2.66 116.67 117.91 2mip s ASP 30 Ca -0.12 -0.90 -0.03 0.00 0.71 0.00 0.00 52.55 52.21 2mip s ASP 30 Cb 0.08 -0.57 0.02 0.00 1.01 0.00 0.00 42.92 43.46 2mip s ASP 30 CO 0.85 -0.53 -0.04 -0.44 0.21 0.00 0.00 175.17 175.22 2mip s SER 31 N -3.97 4.37 -0.11 0.27 0.01 -1.26 -3.10 113.70 109.91 2mip s SER 31 Ca 0.43 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.96 2mip s SER 31 Cb 0.00 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2mip s SER 31 CO 0.24 -0.11 -0.17 -0.63 0.41 0.00 0.00 173.24 172.98 2mip s ILE 32 N 1.38 2.66 -0.03 1.44 1.09 -0.18 -1.61 121.20 125.94 2mip s ILE 32 Ca 0.02 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.81 2mip s ILE 32 Cb -0.16 -2.08 -0.01 0.00 -1.06 0.00 0.00 42.46 39.15 2mip s ILE 32 CO -0.04 0.54 -0.18 0.68 -0.10 0.00 0.00 174.94 175.84 2mip s VAL 33 N 0.28 1.51 0.12 2.92 -7.23 -0.65 -0.57 120.40 116.77 2mip s VAL 33 Ca -0.13 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 2mip s VAL 33 Cb -0.16 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2mip s VAL 33 CO 0.07 0.43 0.17 0.00 -0.31 0.00 0.00 175.10 175.45 2mip s ALA 34 N -0.16 3.74 0.00 1.32 0.00 -1.25 -2.66 121.76 122.75 2mip s ALA 34 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2mip s ALA 34 Cb -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2mip s ALA 34 CO 0.01 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2mip n GLY 35 N -0.03 0.77 3.38 0.00 0.00 -1.26 -5.01 105.19 103.04 2mip n GLY 35 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2mip n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2mip s ILE 36 N -3.00 2.14 -0.18 -0.61 -4.36 -1.26 -5.11 121.20 108.83 2mip s ILE 36 Ca 0.00 -1.90 -0.05 0.00 -0.26 0.00 0.00 60.65 58.44 2mip s ILE 36 Cb 0.00 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 2mip s ILE 36 CO 0.00 -0.12 -0.01 -0.70 0.24 0.00 0.00 174.94 174.35 2mip s GLU 37 N -2.50 3.64 0.00 0.37 -6.30 -1.26 -4.98 118.70 107.66 2mip s GLU 37 Ca 0.17 -0.52 0.07 0.00 -2.50 0.00 0.00 54.97 52.19 2mip s GLU 37 Cb -0.08 -3.02 0.10 0.00 0.00 0.00 0.00 34.13 31.13 2mip s GLU 37 CO 0.08 0.10 0.85 1.28 0.02 0.00 0.00 175.26 177.58 2mip n LEU 38 N 3.99 1.88 0.00 2.70 4.77 -1.26 -5.11 117.00 123.96 2mip n LEU 38 Ca -0.17 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 2mip n LEU 38 Cb 0.52 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2mip n LEU 38 CO 0.32 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2mip n GLY 39 N 0.36 -0.61 0.21 -0.72 0.00 -1.26 -4.69 105.19 98.48 2mip n GLY 39 Ca 0.05 -2.20 0.10 0.00 0.00 0.00 0.00 46.02 43.98 2mip n GLY 39 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2mip h ASN 40 N 0.00 0.00 -1.80 1.61 -1.07 -2.03 -3.41 115.58 108.89 2mip h ASN 40 Ca 0.00 0.00 -0.77 0.00 0.07 0.00 0.00 56.30 55.60 2mip h ASN 40 Cb 0.00 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.06 2mip h ASN 40 CO 0.00 0.09 1.69 0.59 0.07 0.00 0.00 177.43 179.87 2mip n ASN 41 N -3.12 5.42 -4.16 6.14 3.02 -1.26 -4.95 115.26 116.35 2mip n ASN 41 Ca 0.04 -3.18 -0.10 0.00 -0.03 0.00 0.00 54.58 51.31 2mip n ASN 41 Cb 0.56 -1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.20 2mip n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2mip s TYR 42 N -0.36 0.85 -0.10 3.10 -0.85 -1.26 -4.67 117.35 114.05 2mip s TYR 42 Ca 0.37 -1.01 0.03 0.00 -0.52 0.00 0.00 57.07 55.95 2mip s TYR 42 Cb 0.08 -0.51 -0.00 0.00 0.38 0.00 0.00 41.96 41.91 2mip s TYR 42 CO 0.03 -0.27 -0.22 0.45 -1.52 0.00 0.00 175.55 174.02 2mip s SER 43 N -3.03 3.24 0.19 -0.18 0.15 -0.78 -4.89 113.70 108.40 2mip s SER 43 Ca 0.14 -0.52 -0.30 0.00 0.70 0.00 0.00 55.95 55.98 2mip s SER 43 Cb 0.06 -1.41 -0.08 0.00 -1.71 0.00 0.00 66.02 62.89 2mip s SER 43 CO -0.04 0.17 1.08 -2.16 1.20 0.00 0.00 173.24 173.49 2mip s PRO 44 N 0.30 4.62 0.02 5.44 0.04 -1.26 0.40 135.00 144.57 2mip s PRO 44 Ca -0.17 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 2mip s PRO 44 Cb -0.17 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2mip s PRO 44 CO 0.08 0.12 0.06 0.15 0.04 0.00 0.00 177.00 177.46 2mip s LYS 45 N -0.54 0.48 -0.07 4.56 -0.14 -0.38 -4.90 119.74 118.75 2mip s LYS 45 Ca 0.48 -0.65 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 2mip s LYS 45 Cb -0.29 0.19 -0.02 0.00 -1.68 0.00 0.00 37.83 36.03 2mip s LYS 45 CO 0.35 -0.11 -0.18 -1.50 -0.76 0.00 0.00 175.35 173.16 2mip s ILE 46 N -2.05 2.69 0.27 2.17 2.07 -1.26 0.16 121.20 125.25 2mip s ILE 46 Ca -0.10 -0.83 0.11 0.00 -1.41 0.00 0.00 60.65 58.42 2mip s ILE 46 Cb -0.05 -2.05 -0.05 0.00 0.13 0.00 0.00 42.46 40.45 2mip s ILE 46 CO -0.02 0.57 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.75 2mip s VAL 47 N -0.24 2.80 0.03 4.00 1.01 0.18 -4.94 120.40 123.23 2mip s VAL 47 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 61.98 59.79 2mip s VAL 47 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2mip s VAL 47 CO 0.03 -0.37 -0.07 -0.83 0.00 0.00 0.00 175.10 173.86 2mip s GLY 48 N -3.50 0.46 0.00 4.51 0.00 -1.26 -0.81 107.32 106.71 2mip s GLY 48 Ca 0.30 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2mip s GLY 48 CO 0.16 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 173.22 2mip n GLY 49 N 1.86 2.42 3.72 0.20 0.00 -0.59 -5.02 105.19 107.79 2mip n GLY 49 Ca -0.20 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2mip n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2mip n ILE 50 N 0.00 3.62 0.00 -0.61 2.08 -1.26 -1.92 119.36 121.27 2mip n ILE 50 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2mip n ILE 50 Cb 0.00 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 2mip n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2mip n GLY 51 N 0.84 2.71 0.00 7.39 0.00 -1.26 -4.90 105.19 109.97 2mip n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2mip n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mip n GLY 52 N -0.54 -0.49 3.65 -0.02 0.00 -0.81 -5.09 105.19 101.88 2mip n GLY 52 Ca 0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2mip n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mip s PHE 53 N -2.81 3.01 -0.01 1.61 0.40 -1.26 -1.54 117.98 117.38 2mip s PHE 53 Ca 0.00 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 2mip s PHE 53 Cb 0.00 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 2mip s PHE 53 CO 0.00 0.42 -0.13 0.96 0.70 0.00 0.00 175.22 177.18 2mip s ILE 54 N -1.02 1.01 0.32 0.64 -4.36 0.01 -4.95 121.20 112.85 2mip s ILE 54 Ca 0.18 -0.57 -0.24 0.00 -0.26 0.00 0.00 60.65 59.76 2mip s ILE 54 Cb -0.11 -0.85 -0.10 0.00 1.25 0.00 0.00 42.46 42.65 2mip s ILE 54 CO 0.08 0.27 0.89 0.20 0.24 0.00 0.00 174.94 176.62 2mip s ASN 55 N -0.35 7.20 0.28 4.36 0.01 -1.26 -0.65 114.94 124.53 2mip s ASN 55 Ca 0.05 1.70 0.02 0.00 -0.71 0.00 0.00 52.86 53.92 2mip s ASN 55 Cb -0.05 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 2mip s ASN 55 CO -0.00 -0.09 0.08 0.42 -1.51 0.00 0.00 177.10 175.99 2mip s THR 56 N -1.69 0.80 -0.23 1.60 -4.23 0.43 -4.55 115.64 107.78 2mip s THR 56 Ca 0.50 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2mip s THR 56 Cb -0.17 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2mip s THR 56 CO 0.21 -0.02 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.64 2mip s LYS 57 N -3.98 2.93 -0.20 3.99 1.02 -0.45 -1.25 119.74 121.80 2mip s LYS 57 Ca 0.37 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 2mip s LYS 57 Cb 0.08 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2mip s LYS 57 CO 0.14 -0.33 0.49 -2.00 -0.92 0.00 0.00 175.35 172.73 2mip s GLU 58 N 1.33 4.18 -0.08 1.68 2.12 0.16 -1.06 118.70 127.05 2mip s GLU 58 Ca 0.02 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.74 2mip s GLU 58 Cb -0.16 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 2mip s GLU 58 CO -0.06 -0.13 -0.14 0.71 -0.54 0.00 0.00 175.26 175.10 2mip s TYR 59 N 1.58 2.74 0.18 5.30 1.51 0.33 -1.87 117.35 127.13 2mip s TYR 59 Ca 0.23 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 2mip s TYR 59 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2mip s TYR 59 CO 0.09 0.06 0.10 0.15 -1.11 0.00 0.00 175.55 174.85 2mip s LYS 60 N -0.39 2.75 -1.39 -0.62 1.02 -1.26 -0.92 119.74 118.93 2mip s LYS 60 Ca 0.04 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 2mip s LYS 60 Cb -0.12 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 2mip s LYS 60 CO 0.02 0.46 0.70 -1.71 -0.92 0.00 0.00 175.35 173.91 2mip n ASN 61 N -0.42 -1.81 -4.77 2.83 4.05 -1.09 -4.91 115.26 109.14 2mip n ASN 61 Ca -0.08 -0.86 -0.39 0.00 0.45 0.00 0.00 54.58 53.70 2mip n ASN 61 Cb 0.55 -3.77 -0.06 0.00 1.23 0.00 0.00 39.78 37.74 2mip n ASN 61 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2mip s VAL 62 N -3.64 4.75 -0.02 3.44 1.01 0.23 -4.64 120.40 121.53 2mip s VAL 62 Ca 0.17 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.29 2mip s VAL 62 Cb -0.08 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2mip s VAL 62 CO 0.84 0.45 0.81 -0.70 0.00 0.00 0.00 175.10 176.49 2mip s GLU 63 N -0.49 4.50 -0.02 2.72 2.12 -1.26 -0.06 118.70 126.21 2mip s GLU 63 Ca 0.33 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.80 2mip s GLU 63 Cb -0.20 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 2mip s GLU 63 CO 0.20 0.08 -0.10 0.42 -0.54 0.00 0.00 175.26 175.32 2mip s ILE 64 N 0.65 0.84 -0.12 -3.70 1.01 0.15 -0.75 121.20 119.29 2mip s ILE 64 Ca 0.43 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2mip s ILE 64 Cb -0.20 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2mip s ILE 64 CO 0.23 0.25 -0.12 -1.61 0.00 0.00 0.00 174.94 173.69 2mip s GLU 65 N 0.04 1.93 -0.23 2.79 2.02 -1.00 0.14 118.70 124.39 2mip s GLU 65 Ca -0.01 -0.43 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 2mip s GLU 65 Cb -0.07 -1.79 0.07 0.00 0.10 0.00 0.00 34.13 32.44 2mip s GLU 65 CO 0.00 -0.18 0.57 0.54 0.02 0.00 0.00 175.26 176.21 2mip s VAL 66 N 1.37 -0.01 -1.37 2.63 0.11 -0.16 -0.30 120.40 122.67 2mip s VAL 66 Ca 0.00 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 2mip s VAL 66 Cb -0.13 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2mip s VAL 66 CO -0.06 0.02 1.09 0.18 -3.33 0.00 0.00 175.10 172.99 2mip n LEU 67 N 4.20 -3.32 -2.44 2.54 4.77 -1.26 -1.93 117.00 119.55 2mip n LEU 67 Ca -0.21 -0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 54.97 2mip n LEU 67 Cb 0.57 -2.93 -0.01 0.00 -2.33 0.00 0.00 43.42 38.72 2mip n LEU 67 CO 0.03 0.56 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.23 2mip n ASN 68 N -3.00 -5.26 -4.21 -1.43 4.05 -1.26 -4.98 115.26 99.17 2mip n ASN 68 Ca -0.05 0.04 -0.25 0.00 0.45 0.00 0.00 54.58 54.77 2mip n ASN 68 Cb 0.58 -4.40 -0.15 0.00 1.23 0.00 0.00 39.78 37.04 2mip n ASN 68 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2mip s LYS 69 N -5.07 1.41 -0.19 1.20 -0.14 -0.81 -5.12 119.74 111.01 2mip s LYS 69 Ca 0.01 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 2mip s LYS 69 Cb -0.01 -1.43 0.02 0.00 -1.68 0.00 0.00 37.83 34.73 2mip s LYS 69 CO 0.02 0.38 -0.19 0.21 -0.76 0.00 0.00 175.35 175.01 2mip s LYS 70 N -0.81 2.89 0.12 1.68 2.20 -1.26 -0.99 119.74 123.58 2mip s LYS 70 Ca 0.07 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 2mip s LYS 70 Cb -0.08 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2mip s LYS 70 CO 0.00 -0.24 -0.01 0.14 -0.36 0.00 0.00 175.35 174.88 2mip s VAL 71 N 1.28 0.47 -0.12 4.02 -7.23 0.38 -4.97 120.40 114.23 2mip s VAL 71 Ca 0.04 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2mip s VAL 71 Cb -0.14 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2mip s VAL 71 CO -0.12 -0.68 -0.21 -0.13 -0.31 0.00 0.00 175.10 173.64 2mip s ARG 72 N -3.92 3.10 0.13 4.82 0.52 -1.26 0.34 118.95 122.68 2mip s ARG 72 Ca 0.17 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 2mip s ARG 72 Cb 0.07 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.14 2mip s ARG 72 CO -0.02 0.10 0.30 0.00 0.02 0.00 0.00 175.30 175.70 2mip n ALA 73 N 3.76 -0.68 -2.26 2.13 0.00 0.91 -4.74 120.51 119.63 2mip n ALA 73 Ca -0.19 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 2mip n ALA 73 Cb 0.52 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 2mip n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2mip s THR 74 N -2.64 4.56 -0.01 0.00 2.01 -1.26 0.74 115.64 119.03 2mip s THR 74 Ca 0.06 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.93 2mip s THR 74 Cb -0.02 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2mip s THR 74 CO 0.04 0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.68 2mip s ILE 75 N -0.20 0.27 0.24 1.82 -1.09 -0.10 -4.61 121.20 117.52 2mip s ILE 75 Ca 0.42 -0.11 0.09 0.00 -2.23 0.00 0.00 60.65 58.82 2mip s ILE 75 Cb -0.22 -0.25 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 2mip s ILE 75 CO 0.27 0.10 0.02 -0.04 -1.23 0.00 0.00 174.94 174.05 2mip s MET 76 N 0.15 2.38 0.02 2.79 -1.94 -0.64 -0.51 119.30 121.56 2mip s MET 76 Ca -0.01 -1.29 0.05 0.00 -1.71 0.00 0.00 55.69 52.72 2mip s MET 76 Cb -0.04 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 2mip s MET 76 CO -0.00 0.39 -0.14 0.95 -0.01 0.00 0.00 175.02 176.21 2mip s THR 77 N -2.13 1.08 0.03 2.05 -4.23 -0.22 -1.64 115.64 110.58 2mip s THR 77 Ca 0.30 -0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 2mip s THR 77 Cb -0.07 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.86 2mip s THR 77 CO 0.20 0.10 0.68 0.61 -0.54 0.00 0.00 174.62 175.67 2mip n GLY 78 N 2.18 0.59 3.39 3.99 0.00 -1.09 -1.34 105.19 112.91 2mip n GLY 78 Ca -0.17 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 2mip n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2mip s ASP 79 N -2.54 7.10 -0.18 1.61 1.11 -1.26 -3.77 116.67 118.74 2mip s ASP 79 Ca 0.16 -3.13 -0.09 0.00 0.18 0.00 0.00 52.55 49.67 2mip s ASP 79 Cb -0.01 -2.29 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 2mip s ASP 79 CO 0.01 -0.55 0.12 0.28 1.18 0.00 0.00 175.17 176.21 2mip s THR 80 N 0.21 5.32 0.59 -1.27 -1.32 -1.26 -4.99 115.64 112.92 2mip s THR 80 Ca 0.33 0.16 0.41 0.00 -1.21 0.00 0.00 61.69 61.37 2mip s THR 80 Cb -0.07 -3.40 0.43 0.00 -1.51 0.00 0.00 72.50 67.94 2mip s THR 80 CO -0.06 0.48 2.31 1.55 -2.21 0.00 0.00 174.62 176.69 2mip h PRO 81 N 6.30 0.00 -2.85 7.08 0.13 -1.99 -3.43 132.00 137.24 2mip h PRO 81 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2mip h PRO 81 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2mip h PRO 81 CO 0.71 0.01 -0.22 0.96 -0.23 0.00 0.00 178.00 179.22 2mip s ILE 82 N -4.16 0.03 -0.01 -3.56 -5.25 -1.26 -5.14 121.20 101.86 2mip s ILE 82 Ca -0.04 -0.28 -0.30 0.00 -0.99 0.00 0.00 60.65 59.04 2mip s ILE 82 Cb 0.13 -0.63 -0.03 0.00 2.95 0.00 0.00 42.46 44.87 2mip s ILE 82 CO 0.45 -0.15 1.02 0.20 -1.79 0.00 0.00 174.94 174.66 2mip s ASN 83 N -0.82 7.31 -0.09 4.36 0.02 -1.26 -4.86 114.94 119.60 2mip s ASN 83 Ca -0.09 1.70 0.02 0.00 -1.02 0.00 0.00 52.86 53.47 2mip s ASN 83 Cb -0.04 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.64 2mip s ASN 83 CO 0.04 -0.32 -0.16 -0.63 0.02 0.00 0.00 177.10 176.05 2mip s ILE 84 N 1.16 2.88 -0.31 0.60 -1.09 0.26 -0.99 121.20 123.71 2mip s ILE 84 Ca 0.53 -0.76 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 2mip s ILE 84 Cb -0.22 -2.15 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2mip s ILE 84 CO 0.27 0.56 0.07 -0.36 -1.23 0.00 0.00 174.94 174.24 2mip s PHE 85 N -0.14 3.21 0.00 3.97 0.40 -0.50 -1.01 117.98 123.92 2mip s PHE 85 Ca -0.02 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 54.91 2mip s PHE 85 Cb -0.14 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.17 2mip s PHE 85 CO 0.04 -0.71 0.00 0.41 0.70 0.00 0.00 175.22 175.66 2mip n GLY 86 N 4.78 1.65 0.37 4.36 0.00 -1.18 -1.13 105.19 114.04 2mip n GLY 86 Ca -0.13 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 43.95 2mip n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2mip h ARG 87 N 0.00 0.44 -0.37 1.61 3.08 -1.26 0.19 114.38 118.07 2mip h ARG 87 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2mip h ARG 87 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2mip h ARG 87 CO 0.00 0.29 0.25 -2.95 -1.07 0.00 0.00 179.97 176.49 2mip h ASN 88 N 0.46 0.43 0.09 7.04 -0.00 -1.77 -0.68 115.58 121.15 2mip h ASN 88 Ca 0.34 -0.01 -0.26 0.00 -0.00 0.00 0.00 56.30 56.37 2mip h ASN 88 Cb 0.69 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 2mip h ASN 88 CO -0.11 0.31 -1.34 0.40 -0.00 0.00 0.00 177.43 176.69 2mip h ILE 89 N 0.50 1.03 0.00 6.14 2.04 -0.98 -3.32 117.51 122.93 2mip h ILE 89 Ca 0.14 -2.36 -0.05 0.00 1.00 0.00 0.00 64.86 63.59 2mip h ILE 89 Cb -0.05 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2mip h ILE 89 CO -0.03 0.65 -0.23 -0.07 0.00 0.00 0.00 178.15 178.48 2mip h LEU 90 N -0.42 0.00 -0.38 1.44 3.38 -1.32 -1.22 115.31 116.80 2mip h LEU 90 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2mip h LEU 90 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2mip h LEU 90 CO 0.02 0.23 -0.19 0.00 0.09 0.00 0.00 178.44 178.59 2mip h THR 91 N 0.00 1.28 0.00 0.22 1.03 -1.28 -1.54 112.91 112.62 2mip h THR 91 Ca -0.00 -1.32 -0.07 0.00 -0.01 0.00 0.00 66.41 65.01 2mip h THR 91 Cb 0.40 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.80 2mip h THR 91 CO 0.03 0.44 -0.32 0.00 -0.01 0.00 0.00 175.52 175.66 2mip h ALA 92 N 0.80 1.38 0.00 0.00 0.00 -1.50 -1.50 119.26 118.44 2mip h ALA 92 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2mip h ALA 92 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2mip h ALA 92 CO 0.06 0.40 -0.36 1.28 0.00 0.00 0.00 179.25 180.63 2mip n LEU 93 N -4.02 0.44 -1.78 0.00 4.77 -0.52 -4.94 117.00 110.95 2mip n LEU 93 Ca -0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2mip n LEU 93 Cb 0.38 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2mip n LEU 93 CO 0.37 0.03 0.07 0.61 -1.33 0.00 0.00 177.39 177.15 2mip n GLY 94 N 1.45 0.22 3.89 -0.72 0.00 -0.56 -5.02 105.19 104.45 2mip n GLY 94 Ca 0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2mip n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2mip s MET 95 N -5.41 3.72 0.06 1.61 0.00 -0.63 -5.05 119.30 113.59 2mip s MET 95 Ca 0.22 0.24 -0.23 0.00 0.00 0.00 0.00 55.69 55.93 2mip s MET 95 Cb -0.10 -2.53 0.05 0.00 0.00 0.00 0.00 34.83 32.25 2mip s MET 95 CO 0.28 0.12 0.53 -1.54 0.00 0.00 0.00 175.02 174.41 2mip s SER 96 N -3.06 -0.46 -0.26 1.11 1.04 -1.26 -4.73 113.70 106.07 2mip s SER 96 Ca 0.48 0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.93 2mip s SER 96 Cb -0.11 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2mip s SER 96 CO 0.29 -0.75 0.30 -0.22 0.98 0.00 0.00 173.24 173.85 2mip s LEU 97 N -2.06 4.05 0.15 2.42 2.96 -1.26 -5.07 118.68 119.87 2mip s LEU 97 Ca -0.04 0.20 0.10 0.00 -0.22 0.00 0.00 54.13 54.17 2mip s LEU 97 Cb -0.01 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2mip s LEU 97 CO -0.03 -0.12 -0.22 0.20 -1.32 0.00 0.00 176.35 174.86 2mip s ASN 98 N 1.58 2.98 0.00 3.68 0.02 -1.26 -5.29 114.94 116.65 2mip s ASN 98 Ca 0.12 -0.80 0.00 0.00 -1.02 0.00 0.00 52.86 51.17 2mip s ASN 98 Cb -0.16 -0.19 0.00 0.00 0.02 0.00 0.00 41.25 40.92 2mip s ASN 98 CO 0.10 0.08 0.31 -0.11 0.02 0.00 0.00 177.10 177.49