#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 1.56 -0.10 0.58 1.01 -1.26 -0.07 120.40 122.12 1ivm s VAL 2 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ivm s VAL 2 Cb 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1ivm s VAL 2 CO 0.00 0.32 0.06 -0.31 0.00 0.00 0.00 175.10 175.17 1ivm s TYR 3 N -0.61 0.27 0.39 5.22 1.51 0.57 -4.90 117.35 119.80 1ivm s TYR 3 Ca 0.07 -0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1ivm s TYR 3 Cb -0.08 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.13 1ivm s TYR 3 CO 0.00 -0.35 0.51 -1.83 -1.11 0.00 0.00 175.55 172.78 1ivm s GLU 4 N 2.11 2.88 0.21 -0.62 -1.05 -1.26 0.20 118.70 121.17 1ivm s GLU 4 Ca 0.04 -1.21 -0.20 0.00 -0.15 0.00 0.00 54.97 53.45 1ivm s GLU 4 Cb -0.14 -2.73 0.17 0.00 -0.44 0.00 0.00 34.13 31.00 1ivm s GLU 4 CO -0.06 -0.15 1.56 0.07 0.95 0.00 0.00 175.26 177.63 1ivm h ARG 5 N 0.78 -0.05 0.00 -4.83 0.11 -1.92 0.63 114.38 109.10 1ivm h ARG 5 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1ivm h ARG 5 Cb 1.27 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1ivm h ARG 5 CO 0.49 -0.03 0.00 0.00 0.10 0.00 0.00 179.97 180.53 1ivm n GLU 7 N -1.62 -0.16 -0.27 0.00 4.71 -0.80 0.75 120.64 123.25 1ivm n GLU 7 Ca 0.00 1.02 0.06 0.00 -0.01 0.00 0.00 57.16 58.23 1ivm n GLU 7 Cb 0.00 -1.52 0.16 0.00 -1.01 0.00 0.00 31.44 29.07 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ivm h PHE 8 N 0.00 -0.12 0.22 -0.32 3.04 0.32 0.25 116.94 120.33 1ivm h PHE 8 Ca 0.06 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1ivm h PHE 8 Cb 0.15 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1ivm h PHE 8 CO -0.82 -0.28 -0.20 0.00 -2.02 0.00 0.00 178.31 174.99 1ivm h ALA 9 N 1.76 -0.42 -0.11 2.41 0.00 0.60 0.20 119.26 123.70 1ivm h ALA 9 Ca 0.43 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1ivm h ALA 9 Cb 0.76 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1ivm h ALA 9 CO -0.73 -0.76 -0.39 -0.09 0.00 0.00 0.00 179.25 177.28 1ivm h ARG 10 N -0.44 -0.46 0.06 0.00 2.43 0.26 0.14 114.38 116.36 1ivm h ARG 10 Ca -0.01 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1ivm h ARG 10 Cb 0.41 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1ivm h ARG 10 CO -0.03 -0.31 -0.38 1.15 -1.51 0.00 0.00 179.97 178.89 1ivm h THR 11 N -0.48 0.21 -0.58 0.20 2.02 -0.41 1.06 112.91 114.93 1ivm h THR 11 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1ivm h THR 11 Cb 0.61 0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.12 1ivm h THR 11 CO -0.37 0.00 -0.32 0.25 0.37 0.00 0.00 175.52 175.45 1ivm h LEU 12 N -0.57 -1.11 -1.70 2.58 5.85 -0.08 1.79 115.31 122.06 1ivm h LEU 12 Ca 0.04 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1ivm h LEU 12 Cb 0.63 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1ivm h LEU 12 CO -0.26 -0.30 -0.18 0.50 -0.34 0.00 0.00 178.44 177.86 1ivm h LYS 13 N -0.16 0.00 0.00 1.25 3.64 -0.02 0.90 116.57 122.18 1ivm h LYS 13 Ca 0.23 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1ivm h LYS 13 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ivm h LYS 13 CO -0.67 0.18 -0.53 -0.09 -2.27 0.00 0.00 179.45 176.07 1ivm h ARG 14 N 0.00 0.00 0.10 1.90 1.12 1.02 -3.27 114.38 115.24 1ivm h ARG 14 Ca -0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.53 1ivm h ARG 14 Cb 0.38 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 1ivm h ARG 14 CO 0.02 0.53 -1.82 -0.97 -3.11 0.00 0.00 179.97 174.62 1ivm h ASN 15 N 0.00 0.34 0.00 -3.80 -1.24 0.34 -3.50 115.58 107.72 1ivm h ASN 15 Ca -0.01 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.15 1ivm h ASN 15 Cb 1.22 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1ivm h ASN 15 CO 0.07 1.78 0.00 0.61 -1.29 0.00 0.00 177.43 178.60 1ivm n GLY 16 N 1.86 0.68 0.12 1.57 0.00 0.30 -5.07 105.19 104.65 1ivm n GLY 16 Ca -0.32 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ivm n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N 0.00 0.00 -1.50 1.61 2.81 -0.63 -4.95 117.12 114.46 1ivm n MET 17 Ca 0.00 0.00 -0.55 0.00 -1.81 0.00 0.00 57.70 55.34 1ivm n MET 17 Cb 0.00 -0.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.74 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm n ALA 18 N -2.01 0.44 -1.24 3.04 0.00 -1.25 0.99 120.51 120.48 1ivm n ALA 18 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ivm n ALA 18 Cb 0.22 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 5.91 0.90 2.98 0.00 0.00 -1.23 -4.78 105.19 108.97 1ivm n GLY 19 Ca 0.39 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -2.93 -2.22 -0.28 1.61 9.36 0.28 -4.69 117.16 118.29 1ivm n TYR 20 Ca 0.00 0.08 0.08 0.00 3.32 0.00 0.00 57.90 61.38 1ivm n TYR 20 Cb 0.29 -1.38 0.17 0.00 -0.63 0.00 0.00 39.34 37.79 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.21 0.39 0.08 2.98 4.01 -1.26 -4.09 117.16 115.04 1ivm n TYR 21 Ca 0.05 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.74 1ivm n TYR 21 Cb 0.31 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ivm n GLY 22 N -1.44 -0.14 3.72 2.72 0.00 -1.26 -5.04 105.19 103.74 1ivm n GLY 22 Ca 0.15 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.55 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.36 0.14 -3.37 1.61 0.31 -1.26 -4.90 118.33 107.50 1ivm n VAL 23 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 1ivm n VAL 23 Cb 0.00 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.06 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ivm s SER 24 N 3.02 6.61 0.27 4.52 0.15 -1.26 -1.12 113.70 125.89 1ivm s SER 24 Ca 1.01 0.93 -0.00 0.00 0.70 0.00 0.00 55.95 58.58 1ivm s SER 24 Cb -1.27 -2.23 0.60 0.00 -1.71 0.00 0.00 66.02 61.41 1ivm s SER 24 CO 0.72 -0.11 1.70 0.25 1.20 0.00 0.00 173.24 177.01 1ivm h LEU 25 N 2.38 0.25 -0.75 3.45 5.85 -1.87 0.65 115.31 125.28 1ivm h LEU 25 Ca -0.47 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1ivm h LEU 25 Cb 1.17 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1ivm h LEU 25 CO 0.68 0.03 0.47 0.00 -0.34 0.00 0.00 178.44 179.28 1ivm h ALA 26 N 1.65 0.98 -0.19 1.25 0.00 -1.92 0.66 119.26 121.69 1ivm h ALA 26 Ca 0.49 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 1ivm h ALA 26 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ivm h ALA 26 CO -0.49 0.24 -0.31 -0.44 0.00 0.00 0.00 179.25 178.25 1ivm h ASP 27 N 0.90 0.39 0.58 0.00 3.32 -0.35 0.46 116.42 121.72 1ivm h ASP 27 Ca 0.30 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1ivm h ASP 27 Cb 0.05 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ivm h ASP 27 CO -0.12 0.69 -0.28 -0.50 -1.72 0.00 0.00 179.24 177.31 1ivm h TRP 28 N 0.34 -0.72 0.32 4.55 -0.00 0.16 0.51 115.95 121.11 1ivm h TRP 28 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1ivm h TRP 28 Cb 0.71 0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1ivm h TRP 28 CO 0.02 -0.43 -0.39 0.28 -0.00 0.00 0.00 178.44 177.92 1ivm h VAL 29 N -1.18 0.21 -0.67 1.49 2.07 0.30 0.19 116.25 118.67 1ivm h VAL 29 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1ivm h VAL 29 Cb 0.62 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 1ivm h VAL 29 CO 0.13 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.92 1ivm h LEU 31 N 0.34 -1.24 -2.03 0.00 5.85 0.10 1.07 115.31 119.40 1ivm h LEU 31 Ca 0.36 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.31 1ivm h LEU 31 Cb 0.53 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1ivm h LEU 31 CO -0.40 -0.47 0.29 0.00 -0.34 0.00 0.00 178.44 177.52 1ivm h ALA 32 N -0.83 2.29 0.20 1.25 0.00 0.26 0.43 119.26 122.86 1ivm h ALA 32 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ivm h ALA 32 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ivm h ALA 32 CO -0.19 -0.48 -0.09 0.37 0.00 0.00 0.00 179.25 178.86 1ivm h GLN 33 N 0.00 -0.25 0.00 0.00 -0.00 0.27 1.74 115.11 116.87 1ivm h GLN 33 Ca 0.18 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.80 1ivm h GLN 33 Cb 0.75 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.28 1ivm h GLN 33 CO -0.00 0.13 -0.20 1.25 0.00 0.00 0.00 178.83 180.01 1ivm h HIS 34 N -0.72 0.00 0.42 3.99 2.76 0.22 -3.07 115.15 118.74 1ivm h HIS 34 Ca -0.03 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1ivm h HIS 34 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1ivm h HIS 34 CO 0.05 0.20 -0.20 0.93 -1.30 0.00 0.00 177.93 177.61 1ivm h GLU 35 N 0.00 -0.54 0.00 5.26 4.39 -0.08 -3.47 114.58 120.14 1ivm h GLU 35 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ivm h GLU 35 Cb 0.38 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1ivm h GLU 35 CO 0.03 -0.33 0.00 0.43 -1.16 0.00 0.00 179.01 177.98 1ivm n SER 36 N -5.15 0.00 -3.95 1.42 7.64 0.55 -4.62 113.62 109.52 1ivm n SER 36 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ivm n SER 36 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1ivm n SER 36 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ivm n ASN 37 N 0.00 0.00 0.00 6.43 2.04 0.56 -4.02 115.26 120.27 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1ivm n TYR 38 N -0.15 0.00 -4.15 -2.53 4.01 0.54 -4.63 117.16 110.24 1ivm n TYR 38 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1ivm n TYR 38 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1ivm s ASN 39 N 0.00 5.72 -0.49 7.72 -0.87 -1.26 0.21 114.94 125.98 1ivm s ASN 39 Ca 0.00 0.26 0.03 0.00 -1.57 0.00 0.00 52.86 51.58 1ivm s ASN 39 Cb 0.00 -1.71 0.55 0.00 -0.02 0.00 0.00 41.25 40.07 1ivm s ASN 39 CO 0.00 0.37 1.83 0.35 -2.57 0.00 0.00 177.10 177.09 1ivm n THR 40 N 1.93 3.21 -0.24 1.60 -2.24 0.90 -4.23 114.28 115.21 1ivm n THR 40 Ca -0.18 -2.60 0.03 0.00 -2.27 0.00 0.00 64.05 59.03 1ivm n THR 40 Cb 0.54 -0.75 0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N -1.03 2.72 -1.43 -0.78 0.63 -1.26 -4.59 116.66 110.92 1ivm n ARG 41 Ca 0.56 -1.84 -0.48 0.00 -0.92 0.00 0.00 57.85 55.17 1ivm n ARG 41 Cb 1.16 -1.17 -0.11 0.00 0.45 0.00 0.00 32.46 32.79 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 42 N -0.43 0.51 -3.68 5.13 0.00 -1.26 -4.86 120.51 115.92 1ivm n ALA 42 Ca 0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1ivm n ALA 42 Cb 0.38 -2.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.31 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 8.22 -0.38 -0.30 0.00 -4.23 -1.25 0.71 115.64 118.41 1ivm s THR 43 Ca 1.21 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 61.94 1ivm s THR 43 Cb -1.10 -0.52 0.15 0.00 1.34 0.00 0.00 72.50 72.37 1ivm s THR 43 CO 0.51 0.09 0.37 0.20 -0.54 0.00 0.00 174.62 175.25 1ivm s ASN 44 N 2.17 0.87 0.45 3.99 0.01 0.45 -4.96 114.94 117.92 1ivm s ASN 44 Ca -0.03 -0.69 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 1ivm s ASN 44 Cb -0.11 0.86 -0.04 0.00 0.41 0.00 0.00 41.25 42.37 1ivm s ASN 44 CO -0.10 -0.35 0.73 -0.72 -1.51 0.00 0.00 177.10 175.15 1ivm s TYR 45 N 2.31 3.55 -0.30 2.20 -0.85 -1.26 0.21 117.35 123.21 1ivm s TYR 45 Ca 0.11 0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 57.36 1ivm s TYR 45 Cb -0.13 -2.22 0.19 0.00 0.38 0.00 0.00 41.96 40.18 1ivm s TYR 45 CO -0.27 -0.19 0.71 -0.80 -1.52 0.00 0.00 175.55 173.49 1ivm s ASN 46 N -4.05 -1.22 0.21 -0.18 -0.87 0.11 -4.88 114.94 104.05 1ivm s ASN 46 Ca 0.46 0.50 0.07 0.00 -1.57 0.00 0.00 52.86 52.32 1ivm s ASN 46 Cb -0.10 1.92 0.12 0.00 -0.02 0.00 0.00 41.25 43.17 1ivm s ASN 46 CO 0.43 -0.23 1.47 -0.09 -2.57 0.00 0.00 177.10 176.11 1ivm h ARG 47 N 7.93 0.08 -1.00 -0.60 2.43 -1.95 0.18 114.38 121.45 1ivm h ARG 47 Ca -0.14 -0.08 0.38 0.00 -0.81 0.00 0.00 59.98 59.33 1ivm h ARG 47 Cb 1.17 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.61 1ivm h ARG 47 CO 0.14 0.81 0.60 0.41 -1.51 0.00 0.00 179.97 180.42 1ivm n GLY 48 N 0.66 -0.66 1.47 2.80 0.00 -1.26 0.19 105.19 108.38 1ivm n GLY 48 Ca -0.02 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.64 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -4.60 2.03 -3.86 1.61 2.03 -1.23 -4.98 116.55 107.56 1ivm n ASP 49 Ca 0.33 -3.00 -0.25 0.00 0.52 0.00 0.00 54.79 52.39 1ivm n ASP 49 Cb 1.20 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 41.12 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ivm n GLN 50 N -0.47 -0.89 -4.00 -0.67 -0.06 0.50 -4.89 117.38 106.91 1ivm n GLN 50 Ca 0.18 0.04 -0.09 0.00 -2.00 0.00 0.00 57.00 55.13 1ivm n GLN 50 Cb 0.90 -2.50 -0.10 0.00 -4.06 0.00 0.00 30.24 24.47 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -4.01 0.29 -0.08 1.69 1.04 0.61 -4.63 113.70 108.61 1ivm s SER 51 Ca 0.05 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 1ivm s SER 51 Cb -0.03 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1ivm s SER 51 CO 0.74 -0.41 0.20 -0.89 0.98 0.00 0.00 173.24 173.85 1ivm s THR 52 N -2.30 -0.03 -0.48 2.02 2.01 -1.26 0.09 115.64 115.69 1ivm s THR 52 Ca -0.08 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 1ivm s THR 52 Cb -0.04 -0.30 0.10 0.00 0.01 0.00 0.00 72.50 72.27 1ivm s THR 52 CO -0.04 0.04 0.39 -1.81 -0.69 0.00 0.00 174.62 172.52 1ivm s ASP 53 N 0.83 5.97 0.18 3.53 1.01 0.57 0.28 116.67 129.04 1ivm s ASP 53 Ca -0.06 -1.64 0.07 0.00 0.71 0.00 0.00 52.55 51.64 1ivm s ASP 53 Cb -0.08 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1ivm s ASP 53 CO -0.05 -0.71 -0.14 -0.31 0.21 0.00 0.00 175.17 174.17 1ivm s TYR 54 N 1.53 1.62 0.00 4.23 1.51 0.11 0.17 117.35 126.52 1ivm s TYR 54 Ca 0.04 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1ivm s TYR 54 Cb -0.26 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 1ivm s TYR 54 CO 0.03 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.17 1ivm n GLY 55 N -0.17 1.89 0.42 0.71 0.00 0.22 0.72 105.19 108.97 1ivm n GLY 55 Ca -0.10 -1.66 0.22 0.00 0.00 0.00 0.00 46.02 44.48 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.65 -0.35 -0.61 2.10 -1.79 1.08 117.51 118.60 1ivm h ILE 56 Ca 0.00 -0.06 -0.06 0.00 1.08 0.00 0.00 64.86 65.81 1ivm h ILE 56 Cb 0.00 0.46 -0.04 0.00 -1.09 0.00 0.00 36.82 36.15 1ivm h ILE 56 CO 0.00 0.03 0.08 0.49 -1.08 0.00 0.00 178.15 177.68 1ivm n PHE 57 N -4.40 1.19 -3.78 2.19 3.72 -1.26 -2.65 117.46 112.46 1ivm n PHE 57 Ca 0.17 -0.57 -0.29 0.00 -0.05 0.00 0.00 57.45 56.71 1ivm n PHE 57 Cb 0.76 -0.38 0.01 0.00 -0.94 0.00 0.00 39.48 38.92 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N 0.16 -0.92 -3.22 -1.08 -0.06 0.37 -4.87 117.38 107.76 1ivm n GLN 58 Ca 0.18 0.36 -0.39 0.00 -2.00 0.00 0.00 57.00 55.16 1ivm n GLN 58 Cb 0.82 -1.89 -0.06 0.00 -4.06 0.00 0.00 30.24 25.06 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ivm s ILE 59 N -3.20 4.98 -0.11 1.69 1.01 0.22 -4.75 121.20 121.04 1ivm s ILE 59 Ca 0.17 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 1ivm s ILE 59 Cb -0.09 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1ivm s ILE 59 CO 0.79 0.39 1.03 0.20 0.00 0.00 0.00 174.94 177.35 1ivm s ASN 60 N 0.04 7.21 0.00 3.58 0.01 -1.26 0.06 114.94 124.58 1ivm s ASN 60 Ca 0.30 1.55 0.11 0.00 -0.71 0.00 0.00 52.86 54.12 1ivm s ASN 60 Cb -0.17 -2.56 0.55 0.00 0.41 0.00 0.00 41.25 39.48 1ivm s ASN 60 CO 0.16 -0.48 1.37 -0.24 -1.51 0.00 0.00 177.10 176.39 1ivm n SER 61 N 5.14 0.46 -0.66 -1.22 2.88 0.79 -2.53 113.62 118.47 1ivm n SER 61 Ca 0.09 -1.75 0.05 0.00 -1.33 0.00 0.00 58.87 55.93 1ivm n SER 61 Cb 0.48 -0.04 0.14 0.00 -0.75 0.00 0.00 64.21 64.04 1ivm n SER 61 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ivm n ARG 62 N -0.37 1.89 0.00 -1.46 1.85 -1.26 -4.29 116.66 113.01 1ivm n ARG 62 Ca 0.09 -1.14 0.00 0.00 -1.00 0.00 0.00 57.85 55.80 1ivm n ARG 62 Cb 0.10 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1ivm n ARG 62 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1ivm n TYR 63 N 0.37 0.00 -4.33 2.89 4.19 -1.21 -4.62 117.16 114.45 1ivm n TYR 63 Ca 0.10 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 61.06 1ivm n TYR 63 Cb 0.33 0.00 -0.09 0.00 0.49 0.00 0.00 39.34 40.08 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 1ivm s TRP 64 N -1.00 2.56 0.60 2.98 0.52 -1.05 -2.76 118.94 120.79 1ivm s TRP 64 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1ivm s TRP 64 Cb 0.00 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 1ivm s TRP 64 CO 0.00 0.39 0.00 0.00 0.02 0.00 0.00 176.95 177.36 1ivm n ASN 66 N -3.35 1.18 0.00 0.00 0.23 -1.00 -3.64 115.26 108.68 1ivm n ASN 66 Ca -0.04 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1ivm n ASN 66 Cb 0.56 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1ivm n ASP 67 N -2.26 0.00 0.00 0.53 2.03 -1.26 -3.32 116.55 112.27 1ivm n ASP 67 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1ivm n ASP 67 Cb 0.17 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ivm n GLY 68 N -1.42 0.61 0.82 0.27 0.00 -1.26 -4.78 105.19 99.43 1ivm n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ivm n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ivm n LYS 69 N -1.94 1.83 -3.50 1.61 0.00 -1.26 -4.81 118.16 110.10 1ivm n LYS 69 Ca 0.00 -1.72 -0.21 0.00 0.00 0.00 0.00 58.31 56.38 1ivm n LYS 69 Cb 0.03 -1.39 -0.13 0.00 0.00 0.00 0.00 35.03 33.54 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ivm s THR 70 N -1.69 -0.26 -0.70 3.15 2.01 -1.26 -5.03 115.64 111.85 1ivm s THR 70 Ca 0.24 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 1ivm s THR 70 Cb 0.17 -0.78 -0.13 0.00 0.01 0.00 0.00 72.50 71.77 1ivm s THR 70 CO 0.25 -0.37 2.64 -0.81 -0.69 0.00 0.00 174.62 175.65 1ivm n PRO 71 N 5.30 2.24 0.00 4.92 -0.04 -1.26 -2.92 135.00 143.24 1ivm n PRO 71 Ca -0.05 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1ivm n PRO 71 Cb 0.47 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1ivm n PRO 71 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ivm n ARG 72 N 3.37 0.00 -0.51 0.54 0.63 -1.26 -5.13 116.66 114.31 1ivm n ARG 72 Ca 0.48 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.24 1ivm n ARG 72 Cb 0.39 -0.12 0.15 0.00 0.45 0.00 0.00 32.46 33.33 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 73 N -1.98 -0.46 -3.35 5.13 0.00 -1.15 -5.01 120.51 113.70 1ivm n ALA 73 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 1ivm n ALA 73 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 1ivm n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ivm s VAL 74 N -2.06 -0.47 -0.63 0.00 -7.23 -1.26 -5.03 120.40 103.71 1ivm s VAL 74 Ca 0.35 -0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 1ivm s VAL 74 Cb -0.06 -0.82 -0.09 0.00 0.56 0.00 0.00 36.38 35.98 1ivm s VAL 74 CO 0.31 -0.44 1.80 -0.46 -0.31 0.00 0.00 175.10 176.01 1ivm n ASN 75 N 4.87 3.10 0.21 4.85 6.94 -1.24 -3.78 115.26 130.21 1ivm n ASN 75 Ca 0.04 -2.34 0.14 0.00 -0.02 0.00 0.00 54.58 52.40 1ivm n ASN 75 Cb 0.47 -0.93 0.74 0.00 -2.36 0.00 0.00 39.78 37.70 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm h ALA 76 N 7.27 1.00 0.04 -2.53 0.00 -1.77 0.31 119.26 123.58 1ivm h ALA 76 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.96 1ivm h ALA 76 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ivm h ALA 76 CO 1.51 0.00 -1.72 0.00 0.00 0.00 0.00 179.25 179.03 1ivm n GLY 78 N 1.65 -0.11 3.19 0.00 0.00 0.11 -4.90 105.19 105.13 1ivm n GLY 78 Ca -0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.23 -0.61 -0.07 -0.61 -0.00 -1.26 -4.99 121.20 110.43 1ivm s ILE 79 Ca 0.04 0.16 -0.37 0.00 -0.00 0.00 0.00 60.65 60.47 1ivm s ILE 79 Cb -0.00 -0.65 -0.15 0.00 -0.00 0.00 0.00 42.46 41.65 1ivm s ILE 79 CO 0.46 0.05 1.64 0.59 -0.00 0.00 0.00 174.94 177.68 1ivm n ASN 80 N 5.38 2.52 -0.15 4.36 3.02 -1.26 -2.37 115.26 126.77 1ivm n ASN 80 Ca -0.08 1.07 0.28 0.00 -0.03 0.00 0.00 54.58 55.82 1ivm n ASN 80 Cb 0.50 -1.25 0.69 0.00 -0.61 0.00 0.00 39.78 39.10 1ivm n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ivm h SER 82 N 0.00 0.14 0.23 0.00 0.87 -1.88 0.38 113.55 113.29 1ivm h SER 82 Ca 0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1ivm h SER 82 Cb 1.98 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1ivm h SER 82 CO -0.00 0.09 -0.04 0.00 -0.53 0.00 0.00 176.83 176.35 1ivm h ALA 83 N 1.83 1.25 -0.66 6.23 0.00 0.21 0.28 119.26 128.40 1ivm h ALA 83 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ivm h ALA 83 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ivm h ALA 83 CO -0.02 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1ivm n LEU 84 N -3.50 4.53 -0.28 0.00 4.32 0.13 -3.90 117.00 118.30 1ivm n LEU 84 Ca -0.02 -2.34 0.03 0.00 -0.02 0.00 0.00 56.01 53.66 1ivm n LEU 84 Cb 0.16 -0.55 0.06 0.00 -1.62 0.00 0.00 43.42 41.46 1ivm n LEU 84 CO 0.26 0.86 0.49 -0.11 -1.22 0.00 0.00 177.39 177.67 1ivm n LEU 85 N 1.23 2.14 0.00 2.23 0.00 0.98 -3.98 117.00 119.59 1ivm n LEU 85 Ca 0.25 -1.69 0.00 0.00 0.00 0.00 0.00 56.01 54.57 1ivm n LEU 85 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 44.16 1ivm n LEU 85 CO 0.22 0.52 0.00 0.00 0.00 0.00 0.00 177.39 178.12 1ivm n GLN 86 N 0.08 3.50 -0.08 1.96 10.64 -1.15 -4.92 117.38 127.41 1ivm n GLN 86 Ca 0.05 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.14 1ivm n GLN 86 Cb 0.27 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.62 1ivm n GLN 86 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1ivm n ASP 87 N 0.00 1.82 -4.43 2.61 5.68 -1.26 -4.84 116.55 116.14 1ivm n ASP 87 Ca 0.00 0.59 -0.52 0.00 -0.50 0.00 0.00 54.79 54.36 1ivm n ASP 87 Cb 0.00 -0.88 -0.08 0.00 -1.14 0.00 0.00 41.12 39.03 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ivm n ASP 88 N -4.58 1.97 -0.15 -1.12 8.00 -1.26 -4.75 116.55 114.67 1ivm n ASP 88 Ca -0.11 0.47 0.11 0.00 0.71 0.00 0.00 54.79 55.97 1ivm n ASP 88 Cb 0.34 -1.21 0.58 0.00 -0.02 0.00 0.00 41.12 40.81 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ivm n ILE 89 N 7.02 0.04 -0.40 0.53 -5.35 -1.26 -3.98 119.36 115.97 1ivm n ILE 89 Ca 0.42 -0.09 0.32 0.00 -0.27 0.00 0.00 62.75 63.13 1ivm n ILE 89 Cb 0.19 -0.14 0.61 0.00 -1.74 0.00 0.00 39.64 38.56 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 0.62 0.29 -0.13 7.28 1.03 -1.91 1.63 112.91 121.72 1ivm h THR 90 Ca 0.00 -0.07 -0.21 0.00 -0.01 0.00 0.00 66.41 66.12 1ivm h THR 90 Cb 0.13 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 1ivm h THR 90 CO 0.00 0.04 -0.76 0.00 -0.01 0.00 0.00 175.52 174.79 1ivm h ALA 91 N 1.58 0.41 -0.64 0.00 0.00 -1.82 0.19 119.26 118.98 1ivm h ALA 91 Ca 0.72 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ivm h ALA 91 Cb 2.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.91 1ivm h ALA 91 CO -0.33 0.71 0.16 0.00 0.00 0.00 0.00 179.25 179.79 1ivm h ALA 92 N 0.69 0.84 -0.05 0.00 0.00 0.19 0.44 119.26 121.38 1ivm h ALA 92 Ca -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1ivm h ALA 92 Cb 1.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ivm h ALA 92 CO 0.15 0.55 -0.09 0.82 0.00 0.00 0.00 179.25 180.68 1ivm h ILE 93 N 0.94 1.43 -0.18 0.00 2.04 -0.29 0.72 117.51 122.16 1ivm h ILE 93 Ca 0.20 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.70 1ivm h ILE 93 Cb 0.35 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1ivm h ILE 93 CO 0.00 0.38 -0.01 -0.61 0.00 0.00 0.00 178.15 177.92 1ivm h GLN 94 N -0.37 0.05 -0.37 2.37 4.15 -0.48 0.20 115.11 120.66 1ivm h GLN 94 Ca 0.00 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1ivm h GLN 94 Cb 0.66 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1ivm h GLN 94 CO 0.02 0.03 -0.21 0.00 -1.93 0.00 0.00 178.83 176.74 1ivm h ALA 96 N 0.79 0.25 -0.29 0.00 0.00 0.11 1.71 119.26 121.84 1ivm h ALA 96 Ca 0.08 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1ivm h ALA 96 Cb 0.76 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ivm h ALA 96 CO 0.06 -0.47 -0.52 1.57 0.00 0.00 0.00 179.25 179.88 1ivm h LYS 97 N -0.03 0.86 0.00 0.00 2.10 -0.49 0.12 116.57 119.13 1ivm h LYS 97 Ca 0.22 -0.54 -0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ivm h LYS 97 Cb 0.36 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ivm h LYS 97 CO -0.48 1.18 -0.02 -0.09 -2.00 0.00 0.00 179.45 178.04 1ivm h ARG 98 N 0.64 0.00 0.00 0.07 2.43 0.12 0.42 114.38 118.07 1ivm h ARG 98 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1ivm h ARG 98 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1ivm h ARG 98 CO 0.12 0.02 -0.67 0.28 -1.51 0.00 0.00 179.97 178.20 1ivm h VAL 99 N 0.00 0.22 -0.42 0.20 2.07 0.28 -3.37 116.25 115.23 1ivm h VAL 99 Ca -0.00 -1.28 0.11 0.00 0.82 0.00 0.00 66.70 66.34 1ivm h VAL 99 Cb 0.23 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ivm h VAL 99 CO 0.00 0.07 0.30 1.62 0.02 0.00 0.00 177.57 179.58 1ivm h VAL 100 N -1.00 0.83 -0.48 2.57 3.04 -0.66 0.16 116.25 120.71 1ivm h VAL 100 Ca -0.08 -0.03 0.14 0.00 -1.01 0.00 0.00 66.70 65.71 1ivm h VAL 100 Cb 0.68 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1ivm h VAL 100 CO -0.05 0.02 0.53 0.03 -1.01 0.00 0.00 177.57 177.09 1ivm h ARG 101 N 0.09 0.00 -7.57 4.17 3.08 -0.31 -3.34 114.38 110.51 1ivm h ARG 101 Ca 0.20 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.82 1ivm h ARG 101 Cb 0.68 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.91 1ivm h ARG 101 CO -0.02 0.00 0.25 -0.51 -1.07 0.00 0.00 179.97 178.63 1ivm s ASP 102 N -5.05 1.85 0.00 7.04 1.11 0.57 -4.90 116.67 117.28 1ivm s ASP 102 Ca -0.04 0.49 0.21 0.00 0.18 0.00 0.00 52.55 53.39 1ivm s ASP 102 Cb 0.15 -0.66 1.27 0.00 1.07 0.00 0.00 42.92 44.75 1ivm s ASP 102 CO 0.53 -3.54 1.68 -0.81 1.18 0.00 0.00 175.17 174.21 1ivm n PRO 103 N -4.34 0.75 0.24 8.23 -0.04 -1.26 -3.61 135.00 134.96 1ivm n PRO 103 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1ivm n PRO 103 Cb 0.59 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.63 -0.30 0.54 1.08 -1.84 -3.50 115.11 110.46 1ivm h GLN 104 Ca 0.00 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1ivm h GLN 104 Cb 0.00 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1ivm h GLN 104 CO 0.00 -0.42 -0.10 0.41 -0.95 0.00 0.00 178.83 177.77 1ivm n GLY 105 N -0.20 -2.51 0.54 3.46 0.00 -1.24 -4.16 105.19 101.08 1ivm n GLY 105 Ca -0.08 -1.43 0.33 0.00 0.00 0.00 0.00 46.02 44.84 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N -0.12 0.15 -1.25 -0.61 1.08 -1.95 0.41 117.51 115.23 1ivm h ILE 106 Ca -0.01 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 64.86 1ivm h ILE 106 Cb 0.12 0.21 -0.13 0.00 -3.07 0.00 0.00 36.82 33.95 1ivm h ILE 106 CO 0.01 0.00 0.79 -0.09 -0.69 0.00 0.00 178.15 178.17 1ivm h ARG 107 N 0.00 0.13 -1.22 2.37 1.12 -1.99 1.47 114.38 116.25 1ivm h ARG 107 Ca 0.54 -0.01 0.35 0.00 -1.11 0.00 0.00 59.98 59.75 1ivm h ARG 107 Cb 2.61 -0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 32.46 1ivm h ARG 107 CO -0.01 0.08 0.84 0.00 -3.11 0.00 0.00 179.97 177.77 1ivm h ALA 108 N 1.64 2.82 -0.88 2.80 0.00 -0.33 1.45 119.26 126.76 1ivm h ALA 108 Ca 0.79 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 55.08 1ivm h ALA 108 Cb 2.37 0.09 -0.25 0.00 0.00 0.00 0.00 17.79 20.00 1ivm h ALA 108 CO -0.44 -1.25 0.82 0.91 0.00 0.00 0.00 179.25 179.30 1ivm n TRP 109 N -4.39 2.77 -0.47 0.00 8.01 0.50 -4.67 117.44 119.18 1ivm n TRP 109 Ca 0.29 -2.58 0.42 0.00 -1.31 0.00 0.00 57.50 54.32 1ivm n TRP 109 Cb 1.21 -1.30 0.66 0.00 -2.01 0.00 0.00 31.31 29.87 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 1.39 0.03 -0.70 -0.99 3.04 0.19 0.62 116.25 119.83 1ivm h VAL 110 Ca 0.53 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 66.36 1ivm h VAL 110 Cb 0.58 0.04 -0.13 0.00 -2.01 0.00 0.00 31.29 29.77 1ivm h VAL 110 CO 1.37 0.00 -0.24 0.00 -1.01 0.00 0.00 177.57 177.69 1ivm h ALA 111 N 0.85 0.32 -0.50 3.17 0.00 -1.83 1.94 119.26 123.21 1ivm h ALA 111 Ca 0.72 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.91 1ivm h ALA 111 Cb 3.30 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 21.70 1ivm h ALA 111 CO -0.01 -0.50 0.33 2.35 0.00 0.00 0.00 179.25 181.43 1ivm h TRP 112 N -0.05 0.56 0.00 0.00 2.91 -0.11 0.60 115.95 119.87 1ivm h TRP 112 Ca 0.32 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.35 1ivm h TRP 112 Cb 0.54 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1ivm h TRP 112 CO -0.61 0.33 0.00 -2.13 -1.03 0.00 0.00 178.44 175.00 1ivm n ARG 113 N -4.47 0.07 -0.86 2.65 0.63 0.60 0.12 116.66 115.40 1ivm n ARG 113 Ca 0.05 0.16 0.05 0.00 -0.92 0.00 0.00 57.85 57.19 1ivm n ARG 113 Cb 0.13 -1.60 0.16 0.00 0.45 0.00 0.00 32.46 31.59 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 114 N -1.59 3.40 0.00 5.13 0.00 0.21 -4.37 120.51 123.29 1ivm n ALA 114 Ca 0.05 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1ivm n ALA 114 Cb 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.74 -1.29 -0.08 0.00 -0.00 0.54 -4.93 115.22 108.73 1ivm n HIS 115 Ca 0.17 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.26 1ivm n HIS 115 Cb 0.80 0.44 -0.04 0.00 -0.12 0.00 0.00 29.99 31.07 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.58 -0.00 -0.11 0.00 0.00 -0.53 0.88 117.38 113.04 1ivm n GLN 117 Ca -0.13 0.97 -0.09 0.00 -0.00 0.00 0.00 57.00 57.76 1ivm n GLN 117 Cb 0.35 -2.22 -0.03 0.00 0.00 0.00 0.00 30.24 28.33 1ivm n GLN 117 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1ivm h ASN 118 N 0.00 -1.26 -2.32 1.69 -0.73 -1.80 -3.44 115.58 107.71 1ivm h ASN 118 Ca 0.84 0.20 0.00 0.00 1.87 0.00 0.00 56.30 59.21 1ivm h ASN 118 Cb 3.31 0.56 0.00 0.00 0.27 0.00 0.00 38.32 42.47 1ivm h ASN 118 CO -0.04 -0.35 0.00 -1.14 -0.37 0.00 0.00 177.43 175.53 1ivm n ARG 119 N -5.42 1.22 -3.01 6.67 0.63 0.25 -5.09 116.66 111.91 1ivm n ARG 119 Ca -0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 1ivm n ARG 119 Cb 0.35 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.21 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N -0.77 6.21 -0.17 6.15 2.15 -1.26 -4.85 116.67 124.13 1ivm s ASP 120 Ca 0.00 -1.01 0.13 0.00 0.43 0.00 0.00 52.55 52.10 1ivm s ASP 120 Cb 0.00 -2.35 0.67 0.00 -0.30 0.00 0.00 42.92 40.94 1ivm s ASP 120 CO 0.00 -1.16 1.54 -0.11 -0.17 0.00 0.00 175.17 175.26 1ivm n LEU 121 N 6.84 4.77 0.26 -1.34 0.00 -1.26 -4.17 117.00 122.11 1ivm n LEU 121 Ca -0.05 -2.42 0.15 0.00 0.00 0.00 0.00 56.01 53.69 1ivm n LEU 121 Cb 0.45 -0.63 0.59 0.00 0.00 0.00 0.00 43.42 43.83 1ivm n LEU 121 CO 0.60 0.60 0.94 0.28 0.00 0.00 0.00 177.39 179.81 1ivm h SER 122 N 3.38 0.00 0.81 1.96 0.02 -1.93 -2.03 113.55 115.76 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 1.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1ivm h SER 122 CO 0.36 0.04 0.00 1.67 -1.14 0.00 0.00 176.83 177.77 1ivm n GLN 123 N -3.15 0.01 0.19 3.45 0.00 -1.26 -1.78 117.38 114.85 1ivm n GLN 123 Ca 0.01 0.09 0.07 0.00 -0.00 0.00 0.00 57.00 57.17 1ivm n GLN 123 Cb 0.35 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.39 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1ivm h TYR 124 N 0.00 0.00 0.00 3.69 3.20 -1.68 -2.73 116.97 119.45 1ivm h TYR 124 Ca 0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1ivm h TYR 124 Cb 0.40 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1ivm h TYR 124 CO 0.00 0.32 -1.92 0.44 -1.64 0.00 0.00 178.16 175.36 1ivm n ILE 125 N -3.35 0.88 1.53 1.81 -5.35 -1.11 -4.30 119.36 109.47 1ivm n ILE 125 Ca 0.01 -0.57 0.12 0.00 -0.27 0.00 0.00 62.75 62.05 1ivm n ILE 125 Cb 0.54 -0.59 0.73 0.00 -1.74 0.00 0.00 39.64 38.58 1ivm n ILE 125 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1ivm n ARG 126 N -2.48 0.76 0.13 6.28 3.00 -0.73 -2.25 116.66 121.37 1ivm n ARG 126 Ca -0.21 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.72 1ivm n ARG 126 Cb 0.91 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.91 1ivm n ARG 126 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1ivm h ASN 127 N 0.00 0.00 1.05 6.15 7.08 -1.67 -3.19 115.58 124.99 1ivm h ASN 127 Ca 0.00 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.13 1ivm h ASN 127 Cb 0.01 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1ivm h ASN 127 CO 0.00 0.21 -0.41 0.00 -2.08 0.00 0.00 177.43 175.15 1ivm n GLY 129 N 0.54 1.99 0.47 0.00 0.00 -1.21 -5.16 105.19 101.83 1ivm n GLY 129 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70