#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 s SER 2 N 0.00 6.70 0.16 1.61 0.01 -1.26 -5.07 113.70 115.85 2cr4 s SER 2 Ca 0.00 0.83 -0.15 0.00 1.31 0.00 0.00 55.95 57.93 2cr4 s SER 2 Cb 0.00 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.99 2cr4 s SER 2 CO 0.00 0.14 0.43 -0.44 0.41 0.00 0.00 173.24 173.77 2cr4 s SER 3 N -0.04 -0.19 0.00 2.44 0.01 -1.26 -5.18 113.70 109.49 2cr4 s SER 3 Ca 0.24 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2cr4 s SER 3 Cb -0.15 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2cr4 s SER 3 CO 0.11 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2cr4 n GLY 4 N -0.27 -1.54 3.15 3.44 0.00 -1.26 -5.18 105.19 103.53 2cr4 n GLY 4 Ca -0.12 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 2cr4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr4 s SER 5 N -1.23 0.27 0.19 1.61 0.01 -1.26 -5.06 113.70 108.23 2cr4 s SER 5 Ca 0.00 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 2cr4 s SER 5 Cb 0.00 0.27 0.12 0.00 0.21 0.00 0.00 66.02 66.62 2cr4 s SER 5 CO 0.00 -0.66 1.59 -1.28 0.41 0.00 0.00 173.24 173.30 2cr4 h SER 6 N 2.98 -1.17 0.00 2.44 0.87 -2.05 -3.46 113.55 113.17 2cr4 h SER 6 Ca -0.34 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2cr4 h SER 6 Cb 1.17 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2cr4 h SER 6 CO 0.60 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 2cr4 n GLY 7 N -1.43 0.21 2.16 5.77 0.00 -1.26 -4.77 105.19 105.86 2cr4 n GLY 7 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2cr4 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr4 n GLU 8 N 0.00 -2.36 -3.41 1.61 1.02 -1.26 0.96 120.64 117.21 2cr4 n GLU 8 Ca 0.00 0.16 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 2cr4 n GLU 8 Cb 0.00 -4.56 0.08 0.00 -0.02 0.00 0.00 31.44 26.93 2cr4 n GLU 8 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2cr4 n ASP 9 N -1.00 -4.34 -2.14 1.62 8.00 -1.26 -4.90 116.55 112.53 2cr4 n ASP 9 Ca -0.04 -0.52 -0.27 0.00 0.71 0.00 0.00 54.79 54.68 2cr4 n ASP 9 Cb 0.42 -4.62 0.07 0.00 -0.02 0.00 0.00 41.12 36.97 2cr4 n ASP 9 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cr4 n TYR 10 N -4.38 2.57 0.21 1.24 4.02 0.27 -4.41 117.16 116.68 2cr4 n TYR 10 Ca -0.10 -2.49 0.10 0.00 -0.01 0.00 0.00 57.90 55.40 2cr4 n TYR 10 Cb 0.59 -1.21 0.20 0.00 -0.02 0.00 0.00 39.34 38.91 2cr4 n TYR 10 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2cr4 h GLU 11 N 1.67 0.00 -1.56 -0.72 4.11 -1.91 -3.26 114.58 112.91 2cr4 h GLU 11 Ca 0.49 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.69 2cr4 h GLU 11 Cb 1.06 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.21 2cr4 h GLU 11 CO 1.22 0.14 0.30 1.63 0.07 0.00 0.00 179.01 182.37 2cr4 n LYS 12 N -3.15 1.57 -3.82 1.06 5.02 -1.26 -4.90 118.16 112.67 2cr4 n LYS 12 Ca 0.03 -1.13 -0.33 0.00 -2.02 0.00 0.00 58.31 54.86 2cr4 n LYS 12 Cb 0.55 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -1.61 5.33 -0.02 -0.18 -7.23 -1.23 -5.04 120.40 110.42 2cr4 s VAL 13 Ca 0.22 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 60.06 2cr4 s VAL 13 Cb 0.18 -3.59 -0.18 0.00 0.56 0.00 0.00 36.38 33.34 2cr4 s VAL 13 CO 0.00 0.23 1.17 1.55 -0.31 0.00 0.00 175.10 177.74 2cr4 h PRO 14 N 3.47 -0.15 -3.94 4.82 0.13 -1.93 -3.41 132.00 130.99 2cr4 h PRO 14 Ca -0.48 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 2cr4 h PRO 14 Cb 1.18 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 2cr4 h PRO 14 CO 0.71 0.28 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.53 2cr4 s LEU 15 N -9.24 3.61 0.55 1.56 2.01 -1.26 -4.89 118.68 111.01 2cr4 s LEU 15 Ca -0.15 -2.15 -0.19 0.00 0.01 0.00 0.00 54.13 51.66 2cr4 s LEU 15 Cb 0.01 -1.30 -0.05 0.00 0.01 0.00 0.00 46.19 44.86 2cr4 s LEU 15 CO 0.60 -0.36 1.13 -2.16 1.01 0.00 0.00 176.35 176.56 2cr4 s PRO 16 N 0.93 3.31 0.00 1.29 0.04 -1.26 -4.90 135.00 134.41 2cr4 s PRO 16 Ca 0.12 1.60 0.15 0.00 0.04 0.00 0.00 61.00 62.91 2cr4 s PRO 16 Cb -0.20 -2.00 0.91 0.00 0.04 0.00 0.00 34.50 33.25 2cr4 s PRO 16 CO -0.12 -0.88 1.33 0.27 0.04 0.00 0.00 177.00 177.64 2cr4 n ASN 17 N -1.40 0.00 0.07 6.66 0.23 -1.26 -2.63 115.26 116.94 2cr4 n ASN 17 Ca 0.12 -0.46 -0.21 0.00 -0.53 0.00 0.00 54.58 53.50 2cr4 n ASN 17 Cb 0.51 -0.01 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2cr4 h SER 18 N 0.00 0.85 0.60 0.53 0.02 -1.90 -3.22 113.55 110.42 2cr4 h SER 18 Ca 0.00 -0.74 -0.06 0.00 -0.84 0.00 0.00 61.79 60.15 2cr4 h SER 18 Cb 0.00 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2cr4 h SER 18 CO 0.00 1.54 -0.28 -0.37 -1.14 0.00 0.00 176.83 176.59 2cr4 h VAL 19 N 0.31 0.84 -3.17 2.27 -1.51 -1.33 -3.40 116.25 110.25 2cr4 h VAL 19 Ca -0.16 -1.12 -0.60 0.00 -1.23 0.00 0.00 66.70 63.59 2cr4 h VAL 19 Cb 1.82 1.68 -0.12 0.00 -2.13 0.00 0.00 31.29 32.54 2cr4 h VAL 19 CO 0.22 0.27 0.61 -0.36 -1.23 0.00 0.00 177.57 177.09 2cr4 s PHE 20 N -3.93 2.76 0.08 5.19 0.40 -1.22 -0.09 117.98 121.18 2cr4 s PHE 20 Ca -0.01 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2cr4 s PHE 20 Cb 0.12 -4.13 -0.04 0.00 0.51 0.00 0.00 43.02 39.48 2cr4 s PHE 20 CO 0.66 -1.39 0.12 0.54 0.70 0.00 0.00 175.22 175.84 2cr4 s VAL 21 N 4.08 4.74 -0.14 -0.44 0.11 -0.92 -4.97 120.40 122.86 2cr4 s VAL 21 Ca 0.31 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 2cr4 s VAL 21 Cb -0.12 -3.30 0.21 0.00 -1.53 0.00 0.00 36.38 31.63 2cr4 s VAL 21 CO 0.20 0.11 1.31 -3.20 -3.33 0.00 0.00 175.10 170.18 2cr4 n ASN 22 N 0.35 3.31 -4.69 3.54 5.15 -1.26 -3.77 115.26 117.89 2cr4 n ASN 22 Ca -0.08 -2.51 -0.28 0.00 -0.60 0.00 0.00 54.58 51.11 2cr4 n ASN 22 Cb 0.52 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 39.07 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2cr4 s THR 23 N -1.04 3.96 -0.06 -0.44 -1.32 -1.26 -4.95 115.64 110.53 2cr4 s THR 23 Ca 0.18 -1.18 0.15 0.00 -1.21 0.00 0.00 61.69 59.63 2cr4 s THR 23 Cb 0.15 -2.95 0.30 0.00 -1.51 0.00 0.00 72.50 68.49 2cr4 s THR 23 CO 0.03 -0.01 1.14 0.35 -2.21 0.00 0.00 174.62 173.92 2cr4 n THR 24 N 0.15 0.75 -3.79 5.08 -2.24 -1.26 -1.48 114.28 111.48 2cr4 n THR 24 Ca -0.10 -1.43 -0.30 0.00 -2.27 0.00 0.00 64.05 59.96 2cr4 n THR 24 Cb 0.54 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -1.11 0.89 0.32 -0.78 0.41 -1.26 -5.00 118.70 112.17 2cr4 s GLU 25 Ca 0.26 -1.08 0.16 0.00 -0.41 0.00 0.00 54.97 53.90 2cr4 s GLU 25 Cb 0.27 -2.20 1.13 0.00 -1.78 0.00 0.00 34.13 31.55 2cr4 s GLU 25 CO -0.08 -0.90 1.41 0.43 -0.49 0.00 0.00 175.26 175.63 2cr4 n SER 26 N 4.78 0.25 -0.02 -0.19 7.64 -1.26 0.29 113.62 125.11 2cr4 n SER 26 Ca -0.03 1.49 -0.11 0.00 1.01 0.00 0.00 58.87 61.22 2cr4 n SER 26 Cb 0.43 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 2cr4 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr4 h GLU 28 N -0.44 -0.58 -0.92 0.00 4.57 -0.60 -2.11 114.58 114.49 2cr4 h GLU 28 Ca 0.09 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.45 2cr4 h GLU 28 Cb 0.60 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.18 2cr4 h GLU 28 CO -0.42 -0.39 -0.36 0.28 -1.18 0.00 0.00 179.01 176.94 2cr4 n VAL 29 N -5.30 -0.49 -0.25 0.32 0.31 -1.01 0.66 118.33 112.57 2cr4 n VAL 29 Ca -0.06 2.16 0.04 0.00 -0.01 0.00 0.00 64.34 66.47 2cr4 n VAL 29 Cb 0.37 -2.85 0.14 0.00 -0.91 0.00 0.00 33.84 30.59 2cr4 n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2cr4 h GLU 30 N 0.00 0.10 -0.46 5.55 4.81 -0.93 0.17 114.58 123.82 2cr4 h GLU 30 Ca 0.32 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2cr4 h GLU 30 Cb 0.55 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2cr4 h GLU 30 CO -0.92 0.06 -0.03 -0.09 -0.73 0.00 0.00 179.01 177.31 2cr4 h ARG 31 N 0.10 0.83 0.18 1.92 2.43 0.41 -2.95 114.38 117.29 2cr4 h ARG 31 Ca 0.40 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2cr4 h ARG 31 Cb 0.68 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2cr4 h ARG 31 CO -0.65 0.90 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.46 2cr4 h LEU 32 N 0.67 -0.48 -0.23 3.80 3.38 0.11 0.75 115.31 123.32 2cr4 h LEU 32 Ca 0.13 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2cr4 h LEU 32 Cb 0.54 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2cr4 h LEU 32 CO 0.03 -0.27 -0.43 -0.26 0.09 0.00 0.00 178.44 177.60 2cr4 h PHE 33 N -0.39 -1.25 0.00 1.13 -1.00 -0.77 0.35 116.94 115.01 2cr4 h PHE 33 Ca 0.00 0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 2cr4 h PHE 33 Cb 0.37 0.58 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 2cr4 h PHE 33 CO -0.14 -0.47 -0.27 0.87 -1.61 0.00 0.00 178.31 176.69 2cr4 h LYS 34 N -0.44 0.00 0.32 1.51 1.57 -1.38 -3.10 116.57 115.05 2cr4 h LYS 34 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2cr4 h LYS 34 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2cr4 h LYS 34 CO -0.46 0.27 -0.16 0.00 -0.57 0.00 0.00 179.45 178.53 2cr4 h ALA 35 N 1.73 -0.71 0.00 3.86 0.00 0.28 -3.05 119.26 121.36 2cr4 h ALA 35 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2cr4 h ALA 35 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2cr4 h ALA 35 CO 0.03 -0.68 0.45 0.00 0.00 0.00 0.00 179.25 179.06 2cr4 h THR 36 N -0.65 0.00 -3.52 0.00 1.03 -0.48 -3.40 112.91 105.90 2cr4 h THR 36 Ca -0.04 0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 65.83 2cr4 h THR 36 Cb 0.33 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 67.80 2cr4 h THR 36 CO 0.07 0.00 0.30 -0.55 -0.01 0.00 0.00 175.52 175.34 2cr4 s SER 37 N -3.79 7.41 0.17 0.00 0.15 -1.15 -4.97 113.70 111.52 2cr4 s SER 37 Ca -0.02 1.69 -0.07 0.00 0.70 0.00 0.00 55.95 58.24 2cr4 s SER 37 Cb 0.05 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.86 2cr4 s SER 37 CO 0.17 -0.05 1.52 1.55 1.20 0.00 0.00 173.24 177.62 2cr4 h PRO 38 N 5.66 0.80 -0.71 5.44 0.13 -1.84 -2.89 132.00 138.59 2cr4 h PRO 38 Ca -0.43 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2cr4 h PRO 38 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cr4 h PRO 38 CO 0.72 1.05 0.00 0.54 -0.23 0.00 0.00 178.00 180.08 2cr4 n ARG 39 N -4.04 2.69 -3.15 0.86 1.74 -1.26 -4.88 116.66 108.62 2cr4 n ARG 39 Ca -0.02 -1.48 -0.22 0.00 -0.77 0.00 0.00 57.85 55.36 2cr4 n ARG 39 Cb 0.54 -1.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cr4 n GLY 40 N 0.45 -0.50 3.42 -0.13 0.00 -1.09 -4.94 105.19 102.40 2cr4 n GLY 40 Ca 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -5.81 0.49 0.73 1.61 -1.05 -1.25 -4.90 118.70 108.51 2cr4 s GLU 41 Ca 0.33 1.21 -0.12 0.00 -0.15 0.00 0.00 54.97 56.24 2cr4 s GLU 41 Cb -0.16 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 2cr4 s GLU 41 CO 0.40 -0.30 1.10 -1.25 0.95 0.00 0.00 175.26 176.16 2cr4 s PRO 42 N 2.79 2.45 0.09 -4.83 0.04 -1.26 -4.87 135.00 129.40 2cr4 s PRO 42 Ca 0.00 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 2cr4 s PRO 42 Cb -0.13 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2cr4 s PRO 42 CO -0.17 -1.50 0.57 -0.65 0.04 0.00 0.00 177.00 175.29 2cr4 s GLN 43 N -4.61 4.17 0.05 4.56 1.11 -1.26 -5.00 119.66 118.68 2cr4 s GLN 43 Ca 0.63 0.71 -0.36 0.00 0.01 0.00 0.00 55.36 56.35 2cr4 s GLN 43 Cb -0.18 -3.18 -0.15 0.00 -1.01 0.00 0.00 33.01 28.49 2cr4 s GLN 43 CO 0.51 0.61 1.53 -3.47 0.01 0.00 0.00 175.29 174.48 2cr4 n ASP 44 N 1.55 2.46 0.00 5.90 -0.08 -1.26 -1.38 116.55 123.74 2cr4 n ASP 44 Ca -0.09 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 2cr4 n ASP 44 Cb 0.51 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.68 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr4 n GLY 45 N 3.25 0.61 3.49 0.27 0.00 -1.22 -4.65 105.19 106.93 2cr4 n GLY 45 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.72 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 2.40 -4.50 0.99 7.94 -0.48 -3.45 117.00 119.90 2cr4 n LEU 46 Ca 0.00 0.44 -0.24 0.00 -1.11 0.00 0.00 56.01 55.10 2cr4 n LEU 46 Cb 0.00 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 42.54 2cr4 n LEU 46 CO 0.00 -0.67 -0.40 -0.72 -1.11 0.00 0.00 177.39 174.49 2cr4 s TYR 47 N 7.13 2.27 0.24 1.96 1.13 -0.92 0.71 117.35 129.87 2cr4 s TYR 47 Ca 1.07 -0.50 -0.10 0.00 -1.41 0.00 0.00 57.07 56.13 2cr4 s TYR 47 Cb -0.77 -1.23 0.04 0.00 -1.10 0.00 0.00 41.96 38.90 2cr4 s TYR 47 CO 0.48 0.55 0.51 0.00 -2.51 0.00 0.00 175.55 174.58 2cr4 s ILE 49 N -2.42 0.11 0.45 0.00 1.01 0.87 -1.50 121.20 119.73 2cr4 s ILE 49 Ca 0.10 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2cr4 s ILE 49 Cb -0.03 -0.82 0.10 0.00 0.01 0.00 0.00 42.46 41.72 2cr4 s ILE 49 CO 0.07 -0.37 0.62 0.54 0.00 0.00 0.00 174.94 175.80 2cr4 n ARG 50 N 5.20 -0.35 -4.01 2.79 1.74 -0.70 -2.16 116.66 119.15 2cr4 n ARG 50 Ca -0.07 -1.16 -0.36 0.00 -0.77 0.00 0.00 57.85 55.49 2cr4 n ARG 50 Cb 0.47 -0.57 -0.07 0.00 -1.02 0.00 0.00 32.46 31.27 2cr4 n ARG 50 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cr4 s ASN 51 N -3.33 6.08 0.19 0.55 0.02 -0.55 -3.30 114.94 114.59 2cr4 s ASN 51 Ca 0.37 0.38 0.06 0.00 -1.02 0.00 0.00 52.86 52.65 2cr4 s ASN 51 Cb -0.01 -1.90 -0.04 0.00 0.02 0.00 0.00 41.25 39.31 2cr4 s ASN 51 CO 0.25 0.40 0.09 -0.55 0.02 0.00 0.00 177.10 177.30 2cr4 s SER 52 N -1.03 5.19 0.09 -1.22 0.15 -1.23 -4.50 113.70 111.15 2cr4 s SER 52 Ca 0.15 -0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.33 2cr4 s SER 52 Cb -0.12 -1.25 -0.09 0.00 -1.71 0.00 0.00 66.02 62.86 2cr4 s SER 52 CO 0.04 0.06 1.58 0.77 1.20 0.00 0.00 173.24 176.89 2cr4 h SER 53 N 2.35 0.31 -2.36 5.45 4.64 -1.98 -3.43 113.55 118.54 2cr4 h SER 53 Ca -0.47 -0.22 -0.54 0.00 -0.47 0.00 0.00 61.79 60.09 2cr4 h SER 53 Cb 1.21 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2cr4 h SER 53 CO 0.61 0.46 1.24 -0.89 -0.87 0.00 0.00 176.83 177.38 2cr4 s THR 54 N -5.32 3.06 0.40 2.95 2.01 -1.26 -4.90 115.64 112.58 2cr4 s THR 54 Ca -0.14 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 2cr4 s THR 54 Cb 0.07 -3.05 -0.12 0.00 0.01 0.00 0.00 72.50 69.41 2cr4 s THR 54 CO 0.72 -0.01 0.71 2.29 -0.69 0.00 0.00 174.62 177.64 2cr4 n LYS 55 N 7.61 0.80 -3.59 4.92 -0.00 -1.26 -1.67 118.16 124.96 2cr4 n LYS 55 Ca 0.20 0.29 -0.26 0.00 -0.00 0.00 0.00 58.31 58.55 2cr4 n LYS 55 Cb 0.41 -1.65 0.05 0.00 -0.00 0.00 0.00 35.03 33.85 2cr4 n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2cr4 n SER 56 N 1.10 -5.83 -4.15 -5.58 7.64 -1.26 -4.99 113.62 100.55 2cr4 n SER 56 Ca 0.11 -0.56 -0.11 0.00 1.01 0.00 0.00 58.87 59.32 2cr4 n SER 56 Cb 0.38 -4.63 -0.10 0.00 -1.01 0.00 0.00 64.21 58.85 2cr4 n SER 56 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr4 s GLY 57 N -3.20 0.71 0.28 0.23 0.00 -0.67 -4.82 107.32 99.85 2cr4 s GLY 57 Ca 0.56 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 2cr4 s GLY 57 CO 0.69 -1.33 0.36 0.54 0.00 0.00 0.00 173.10 173.37 2cr4 s LYS 58 N -3.41 1.63 -0.05 2.90 -0.14 -1.23 -3.47 119.74 115.97 2cr4 s LYS 58 Ca 0.07 -1.65 -0.02 0.00 -1.36 0.00 0.00 55.97 53.01 2cr4 s LYS 58 Cb 0.02 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.60 2cr4 s LYS 58 CO -0.04 -0.64 0.08 0.08 -0.76 0.00 0.00 175.35 174.07 2cr4 s VAL 59 N -3.60 -0.14 -0.20 3.17 1.01 -1.21 0.01 120.40 119.45 2cr4 s VAL 59 Ca 0.32 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 2cr4 s VAL 59 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.22 2cr4 s VAL 59 CO 0.17 0.17 1.02 -0.22 0.00 0.00 0.00 175.10 176.23 2cr4 s LEU 60 N 2.19 4.14 -0.16 3.92 2.96 0.15 -1.73 118.68 130.15 2cr4 s LEU 60 Ca 0.05 1.39 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 2cr4 s LEU 60 Cb -0.12 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2cr4 s LEU 60 CO -0.04 -0.60 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.52 2cr4 s VAL 61 N 2.88 2.33 0.16 1.68 1.01 -0.56 0.43 120.40 128.33 2cr4 s VAL 61 Ca 0.44 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2cr4 s VAL 61 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2cr4 s VAL 61 CO 0.09 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.94 2cr4 s VAL 62 N 1.01 3.27 -0.22 2.92 1.01 -1.22 -0.23 120.40 126.94 2cr4 s VAL 62 Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.28 2cr4 s VAL 62 Cb -0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2cr4 s VAL 62 CO -0.05 -0.07 0.23 0.86 0.00 0.00 0.00 175.10 176.07 2cr4 s TRP 63 N -1.60 3.34 -0.86 5.22 -0.11 0.22 -1.37 118.94 123.78 2cr4 s TRP 63 Ca 0.24 0.35 -0.14 0.00 1.22 0.00 0.00 56.10 57.78 2cr4 s TRP 63 Cb -0.09 -2.33 0.22 0.00 -1.50 0.00 0.00 33.47 29.76 2cr4 s TRP 63 CO 0.15 0.07 0.83 0.34 -4.62 0.00 0.00 176.95 173.72 2cr4 s ASP 64 N 0.98 6.81 0.57 5.86 2.15 0.45 -3.42 116.67 130.06 2cr4 s ASP 64 Ca 0.11 -2.72 0.26 0.00 0.43 0.00 0.00 52.55 50.62 2cr4 s ASP 64 Cb -0.14 -2.23 1.57 0.00 -0.30 0.00 0.00 42.92 41.82 2cr4 s ASP 64 CO 0.05 -0.59 2.12 -0.08 -0.17 0.00 0.00 175.17 176.50 2cr4 h GLU 65 N 7.76 0.00 -0.11 4.34 4.57 -1.91 0.95 114.58 130.18 2cr4 h GLU 65 Ca 0.12 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2cr4 h GLU 65 Cb 1.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2cr4 h GLU 65 CO 0.80 0.00 -0.26 1.79 -1.18 0.00 0.00 179.01 180.16 2cr4 h THR 66 N 0.00 1.24 0.00 0.32 1.35 -1.95 -3.06 112.91 110.80 2cr4 h THR 66 Ca 0.08 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2cr4 h THR 66 Cb 0.37 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2cr4 h THR 66 CO -0.00 0.34 -0.00 -1.20 -0.25 0.00 0.00 175.52 174.40 2cr4 n SER 67 N -4.16 2.03 -4.39 5.36 7.64 -0.09 -4.99 113.62 115.02 2cr4 n SER 67 Ca -0.01 -2.27 -0.35 0.00 1.01 0.00 0.00 58.87 57.24 2cr4 n SER 67 Cb 0.36 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N -0.74 -0.23 -2.24 6.43 2.85 0.31 -4.89 115.26 116.75 2cr4 n ASN 68 Ca 0.04 -1.25 -0.10 0.00 -0.11 0.00 0.00 54.58 53.16 2cr4 n ASN 68 Cb 0.37 -1.69 -0.04 0.00 1.24 0.00 0.00 39.78 39.66 2cr4 n ASN 68 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2cr4 n LYS 69 N -4.39 0.30 -4.29 1.20 2.85 -0.97 -4.98 118.16 107.88 2cr4 n LYS 69 Ca -0.15 -1.72 -0.23 0.00 -1.05 0.00 0.00 58.31 55.16 2cr4 n LYS 69 Cb 0.60 1.33 -0.12 0.00 -0.65 0.00 0.00 35.03 36.20 2cr4 n LYS 69 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2cr4 s VAL 70 N -2.64 1.68 0.36 0.58 -7.23 -1.26 -0.41 120.40 111.48 2cr4 s VAL 70 Ca 0.19 -1.65 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 2cr4 s VAL 70 Cb 0.01 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 2cr4 s VAL 70 CO 0.13 -0.17 0.01 -0.13 -0.31 0.00 0.00 175.10 174.64 2cr4 s ARG 71 N -2.21 2.04 -0.08 4.82 1.81 -0.47 -4.95 118.95 119.92 2cr4 s ARG 71 Ca 0.09 -1.83 0.02 0.00 -1.72 0.00 0.00 55.73 52.30 2cr4 s ARG 71 Cb -0.08 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 2cr4 s ARG 71 CO 0.05 0.09 -0.15 -0.80 -0.68 0.00 0.00 175.30 173.81 2cr4 s ASN 72 N -3.72 2.10 -0.39 0.23 0.02 -1.26 -3.44 114.94 108.49 2cr4 s ASN 72 Ca 0.35 -0.36 0.01 0.00 -1.02 0.00 0.00 52.86 51.84 2cr4 s ASN 72 Cb 0.02 -0.96 0.13 0.00 0.02 0.00 0.00 41.25 40.45 2cr4 s ASN 72 CO 0.19 0.05 0.19 -0.31 0.02 0.00 0.00 177.10 177.24 2cr4 s TYR 73 N 0.67 1.73 0.12 2.20 1.51 0.17 -4.98 117.35 118.77 2cr4 s TYR 73 Ca -0.14 -2.11 -0.35 0.00 -1.01 0.00 0.00 57.07 53.46 2cr4 s TYR 73 Cb -0.16 -1.71 -0.15 0.00 -0.11 0.00 0.00 41.96 39.83 2cr4 s TYR 73 CO 0.04 -0.82 1.48 -2.13 -1.11 0.00 0.00 175.55 173.01 2cr4 n ARG 74 N 4.01 1.72 -3.37 -0.62 0.00 -1.26 0.33 116.66 117.47 2cr4 n ARG 74 Ca 0.06 0.62 -0.46 0.00 -0.00 0.00 0.00 57.85 58.07 2cr4 n ARG 74 Cb 0.37 -2.34 -0.03 0.00 0.00 0.00 0.00 32.46 30.47 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2cr4 s ILE 75 N 0.82 5.43 1.04 5.15 1.01 0.10 -4.47 121.20 130.28 2cr4 s ILE 75 Ca 0.82 -2.50 -0.13 0.00 0.00 0.00 0.00 60.65 58.84 2cr4 s ILE 75 Cb -0.80 -4.37 0.21 0.00 0.01 0.00 0.00 42.46 37.51 2cr4 s ILE 75 CO 0.42 -1.01 1.08 -0.36 0.00 0.00 0.00 174.94 175.07 2cr4 s PHE 76 N 0.17 1.94 -0.30 3.97 0.08 -0.11 -3.58 117.98 120.15 2cr4 s PHE 76 Ca 0.17 1.02 -0.01 0.00 0.12 0.00 0.00 56.93 58.23 2cr4 s PHE 76 Cb -0.11 -3.23 0.10 0.00 -0.57 0.00 0.00 43.02 39.20 2cr4 s PHE 76 CO -0.08 -3.12 0.10 -2.00 -0.10 0.00 0.00 175.22 170.02 2cr4 s GLU 77 N -4.87 0.61 0.05 0.44 2.12 -1.26 -2.42 118.70 113.37 2cr4 s GLU 77 Ca 0.66 -0.95 0.06 0.00 0.36 0.00 0.00 54.97 55.10 2cr4 s GLU 77 Cb -0.20 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 2cr4 s GLU 77 CO 0.59 -0.98 -0.16 0.21 -0.54 0.00 0.00 175.26 174.38 2cr4 s LYS 78 N 1.72 1.02 -0.85 4.30 2.20 -0.78 -4.76 119.74 122.59 2cr4 s LYS 78 Ca 0.09 -0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 54.80 2cr4 s LYS 78 Cb -0.17 -1.07 0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2cr4 s LYS 78 CO -0.27 0.26 0.20 -0.25 -0.36 0.00 0.00 175.35 174.93 2cr4 n ASP 79 N 1.74 -2.69 -3.03 1.43 9.92 -1.26 1.00 116.55 123.66 2cr4 n ASP 79 Ca -0.18 -0.01 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 2cr4 n ASP 79 Cb 0.54 -2.31 0.06 0.00 -0.64 0.00 0.00 41.12 38.77 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2cr4 n SER 80 N -1.91 -5.78 -3.73 -2.24 7.64 -1.26 -5.00 113.62 101.33 2cr4 n SER 80 Ca -0.03 -0.40 -0.12 0.00 1.01 0.00 0.00 58.87 59.33 2cr4 n SER 80 Cb 0.54 -4.47 -0.12 0.00 -1.01 0.00 0.00 64.21 59.14 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr4 s LYS 81 N -5.95 0.27 0.09 1.43 1.02 0.28 -4.75 119.74 112.14 2cr4 s LYS 81 Ca 0.43 0.54 -0.31 0.00 0.02 0.00 0.00 55.97 56.65 2cr4 s LYS 81 Cb -0.19 -0.03 -0.07 0.00 -0.52 0.00 0.00 37.83 37.03 2cr4 s LYS 81 CO 0.53 -0.13 1.25 -0.06 -0.92 0.00 0.00 175.35 176.02 2cr4 s PHE 82 N 0.99 3.38 0.04 3.18 0.08 -0.78 -1.86 117.98 123.02 2cr4 s PHE 82 Ca -0.07 1.22 -0.01 0.00 0.12 0.00 0.00 56.93 58.20 2cr4 s PHE 82 Cb -0.08 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 38.85 2cr4 s PHE 82 CO -0.07 -1.56 -0.02 1.52 -0.10 0.00 0.00 175.22 174.98 2cr4 s TYR 83 N 0.92 0.43 -0.01 0.36 -0.85 -1.01 -0.61 117.35 116.57 2cr4 s TYR 83 Ca 0.59 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 2cr4 s TYR 83 Cb -0.32 -0.32 -0.01 0.00 0.38 0.00 0.00 41.96 41.70 2cr4 s TYR 83 CO 0.30 -0.33 0.00 1.28 -1.52 0.00 0.00 175.55 175.29 2cr4 n LEU 84 N 0.57 0.20 -0.10 -3.49 4.77 -1.26 -0.93 117.00 116.76 2cr4 n LEU 84 Ca -0.17 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2cr4 n LEU 84 Cb 0.59 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 2cr4 n LEU 84 CO 0.25 0.05 -1.17 -1.84 -1.33 0.00 0.00 177.39 173.35 2cr4 n GLU 85 N -2.05 0.73 0.00 3.23 0.00 -1.26 -4.95 120.64 116.33 2cr4 n GLU 85 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2cr4 n GLU 85 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.44 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr4 n GLY 86 N 1.81 1.32 0.32 -1.84 0.00 -1.26 -4.81 105.19 100.72 2cr4 n GLY 86 Ca -0.34 -0.85 0.28 0.00 0.00 0.00 0.00 46.02 45.12 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 -0.03 -3.15 1.61 0.28 -1.26 -3.42 120.64 114.67 2cr4 n GLU 87 Ca 0.00 0.97 -0.44 0.00 -0.16 0.00 0.00 57.16 57.53 2cr4 n GLU 87 Cb 0.00 -1.85 -0.06 0.00 1.43 0.00 0.00 31.44 30.95 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -4.93 4.87 0.43 3.84 1.01 -1.26 -5.04 120.40 119.32 2cr4 s VAL 88 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2cr4 s VAL 88 Cb 0.24 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2cr4 s VAL 88 CO 0.60 -0.76 0.11 0.18 0.00 0.00 0.00 175.10 175.23 2cr4 n LEU 89 N 6.19 0.00 -3.63 3.92 4.32 -1.22 -4.23 117.00 122.35 2cr4 n LEU 89 Ca -0.06 -2.54 -0.19 0.00 -0.02 0.00 0.00 56.01 53.20 2cr4 n LEU 89 Cb 0.46 0.19 -0.16 0.00 -1.62 0.00 0.00 43.42 42.29 2cr4 n LEU 89 CO 0.54 -0.42 -0.26 -0.36 -1.22 0.00 0.00 177.39 175.67 2cr4 s PHE 90 N -2.43 -0.12 0.44 -1.77 0.40 0.22 -4.95 117.98 109.78 2cr4 s PHE 90 Ca 0.08 0.37 0.40 0.00 -0.60 0.00 0.00 56.93 57.18 2cr4 s PHE 90 Cb -0.01 -0.37 1.39 0.00 0.51 0.00 0.00 43.02 44.54 2cr4 s PHE 90 CO 0.05 -0.36 1.24 1.33 0.70 0.00 0.00 175.22 178.18 2cr4 n VAL 91 N 5.31 -0.00 -3.50 -0.44 0.24 -1.26 -1.86 118.33 116.82 2cr4 n VAL 91 Ca -0.05 1.19 -0.13 0.00 -2.04 0.00 0.00 64.34 63.31 2cr4 n VAL 91 Cb 0.50 -1.98 -0.04 0.00 -1.47 0.00 0.00 33.84 30.84 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2cr4 s SER 92 N -3.89 -0.54 0.31 -1.34 0.01 -1.26 -4.67 113.70 102.33 2cr4 s SER 92 Ca -0.04 0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.65 2cr4 s SER 92 Cb 0.21 0.49 0.87 0.00 0.21 0.00 0.00 66.02 67.81 2cr4 s SER 92 CO 0.71 -0.66 1.66 0.58 0.41 0.00 0.00 173.24 175.94 2cr4 h VAL 93 N 2.49 0.32 -0.07 3.43 2.07 -1.92 -1.76 116.25 120.80 2cr4 h VAL 93 Ca -0.27 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2cr4 h VAL 93 Cb 1.21 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2cr4 h VAL 93 CO 0.36 0.05 -0.38 1.23 0.02 0.00 0.00 177.57 178.85 2cr4 h GLY 94 N 0.27 -1.23 -0.24 2.17 0.00 -1.94 -0.33 103.07 101.77 2cr4 h GLY 94 Ca 0.63 0.67 0.22 0.00 0.00 0.00 0.00 47.33 48.86 2cr4 h GLY 94 CO -0.63 -0.32 0.37 0.23 0.00 0.00 0.00 176.54 176.19 2cr4 h SER 95 N -0.43 0.27 -0.12 0.19 0.87 -1.70 0.52 113.55 113.15 2cr4 h SER 95 Ca 0.02 0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2cr4 h SER 95 Cb 0.49 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2cr4 h SER 95 CO -0.29 -0.03 0.03 -0.03 -0.53 0.00 0.00 176.83 175.97 2cr4 h MET 96 N 0.36 0.08 -0.79 2.24 4.05 -1.08 -0.01 114.93 119.79 2cr4 h MET 96 Ca 0.56 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 60.05 2cr4 h MET 96 Cb 1.07 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.79 2cr4 h MET 96 CO -0.55 0.05 0.45 0.28 0.23 0.00 0.00 176.91 177.38 2cr4 h VAL 97 N 0.08 0.94 -0.10 -5.77 2.07 0.73 -0.16 116.25 114.04 2cr4 h VAL 97 Ca 0.05 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2cr4 h VAL 97 Cb 0.04 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2cr4 h VAL 97 CO -0.06 0.14 -0.40 -0.33 0.02 0.00 0.00 177.57 176.94 2cr4 h GLU 98 N 0.79 0.23 -0.03 1.57 5.08 -0.92 -2.10 114.58 119.20 2cr4 h GLU 98 Ca 0.37 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2cr4 h GLU 98 Cb 0.29 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2cr4 h GLU 98 CO -0.22 0.60 -0.02 1.25 -1.00 0.00 0.00 179.01 179.62 2cr4 h HIS 99 N 0.19 0.08 -0.37 4.33 2.76 0.35 -3.15 115.15 119.35 2cr4 h HIS 99 Ca 0.02 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2cr4 h HIS 99 Cb 0.80 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 2cr4 h HIS 99 CO 0.01 0.48 0.07 1.88 -1.30 0.00 0.00 177.93 179.07 2cr4 h TYR 100 N -0.35 0.55 -0.86 5.26 0.05 -1.05 -1.79 116.97 118.79 2cr4 h TYR 100 Ca 0.01 -0.04 0.25 0.00 0.05 0.00 0.00 58.73 59.00 2cr4 h TYR 100 Cb 0.46 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2cr4 h TYR 100 CO 0.08 0.50 1.13 0.45 -1.05 0.00 0.00 178.16 179.27 2cr4 h HIS 101 N 0.53 0.00 0.00 4.88 3.86 -1.33 0.35 115.15 123.45 2cr4 h HIS 101 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2cr4 h HIS 101 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2cr4 h HIS 101 CO 0.01 0.00 -0.93 -2.37 0.86 0.00 0.00 177.93 175.50 2cr4 n THR 102 N -3.19 0.00 -3.72 2.45 5.66 -0.98 -4.84 114.28 109.66 2cr4 n THR 102 Ca 0.19 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.83 2cr4 n THR 102 Cb 1.39 0.19 -0.10 0.00 -1.55 0.00 0.00 70.33 70.26 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2cr4 s HIS 103 N -1.88 3.43 0.40 1.09 4.02 0.12 -5.08 115.29 117.39 2cr4 s HIS 103 Ca 0.00 -2.67 -0.15 0.00 1.02 0.00 0.00 55.06 53.25 2cr4 s HIS 103 Cb 0.00 -3.21 -0.12 0.00 -1.02 0.00 0.00 32.58 28.23 2cr4 s HIS 103 CO 0.00 -0.86 -0.07 1.55 1.02 0.00 0.00 174.74 176.38 2cr4 n VAL 104 N 3.62 0.10 -1.72 -0.90 3.14 -1.23 -4.30 118.33 117.04 2cr4 n VAL 104 Ca 0.07 -0.41 -0.32 0.00 -2.96 0.00 0.00 64.34 60.71 2cr4 n VAL 104 Cb 0.38 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.20 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 4.03 3.28 0.94 6.55 1.43 -0.90 -4.98 118.68 129.03 2cr4 s LEU 105 Ca 0.47 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 2cr4 s LEU 105 Cb -0.43 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.42 2cr4 s LEU 105 CO 0.54 -1.45 1.09 -2.16 0.23 0.00 0.00 176.35 174.61 2cr4 s PRO 106 N -4.57 0.87 -1.54 1.29 0.04 -1.26 -3.78 135.00 126.05 2cr4 s PRO 106 Ca 0.61 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2cr4 s PRO 106 Cb -0.16 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2cr4 s PRO 106 CO 0.47 -2.47 0.00 0.43 0.04 0.00 0.00 177.00 175.47 2cr4 n SER 107 N -4.02 -4.86 -1.98 6.66 7.64 -1.26 -4.94 113.62 110.86 2cr4 n SER 107 Ca 0.06 0.19 -0.06 0.00 1.01 0.00 0.00 58.87 60.07 2cr4 n SER 107 Cb 0.56 -3.87 -0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2cr4 n HIS 108 N -3.28 -1.28 0.00 1.43 -0.00 -1.25 -5.11 115.22 105.73 2cr4 n HIS 108 Ca -0.18 -1.10 -0.03 0.00 -0.00 0.00 0.00 57.72 56.42 2cr4 n HIS 108 Cb 0.59 0.37 -0.01 0.00 -0.00 0.00 0.00 29.99 30.93 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.29 0.17 -2.99 1.57 10.64 -1.26 -4.91 117.38 120.31 2cr4 n GLN 109 Ca -0.02 0.07 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 2cr4 n GLN 109 Cb 0.30 -0.77 -0.02 0.00 -0.86 0.00 0.00 30.24 28.90 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2cr4 n SER 110 N -3.73 1.89 -4.15 2.61 7.64 -1.26 -4.92 113.62 111.70 2cr4 n SER 110 Ca -0.04 -3.12 -0.38 0.00 1.01 0.00 0.00 58.87 56.33 2cr4 n SER 110 Cb 0.16 -0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cr4 s LEU 111 N -2.84 5.48 0.50 -3.43 2.96 -1.26 -5.05 118.68 115.03 2cr4 s LEU 111 Ca 0.40 -2.25 0.07 0.00 -0.22 0.00 0.00 54.13 52.12 2cr4 s LEU 111 Cb 0.36 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 45.16 2cr4 s LEU 111 CO -0.07 -0.55 0.44 -0.76 -1.32 0.00 0.00 176.35 174.09 2cr4 s LEU 112 N 0.83 3.03 -0.34 -0.68 1.43 -1.26 -2.13 118.68 119.56 2cr4 s LEU 112 Ca 0.10 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 2cr4 s LEU 112 Cb -0.22 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2cr4 s LEU 112 CO -0.03 -0.95 0.28 -0.76 0.23 0.00 0.00 176.35 175.12 2cr4 s LEU 113 N -4.26 4.50 -0.16 1.79 1.43 -1.26 -4.55 118.68 116.18 2cr4 s LEU 113 Ca 0.43 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2cr4 s LEU 113 Cb -0.03 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 2cr4 s LEU 113 CO 0.26 -0.27 -0.32 0.54 0.23 0.00 0.00 176.35 176.80 2cr4 n ARG 114 N 5.19 0.48 -4.40 1.70 1.74 -1.22 -4.71 116.66 115.43 2cr4 n ARG 114 Ca -0.12 0.19 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 2cr4 n ARG 114 Cb 0.50 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.82 0.99 1.02 -1.55 3.76 -1.25 -5.04 115.29 110.40 2cr4 s HIS 115 Ca -0.26 -0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 2cr4 s HIS 115 Cb 0.04 -0.71 0.20 0.00 1.11 0.00 0.00 32.58 33.22 2cr4 s HIS 115 CO 0.39 -0.12 1.09 -1.25 -0.85 0.00 0.00 174.74 174.01 2cr4 s PRO 116 N 0.26 0.24 0.30 8.40 0.04 -1.26 -2.16 135.00 140.81 2cr4 s PRO 116 Ca -0.04 0.45 -0.18 0.00 0.04 0.00 0.00 61.00 61.27 2cr4 s PRO 116 Cb -0.09 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2cr4 s PRO 116 CO 0.01 -2.85 0.77 -0.47 0.04 0.00 0.00 177.00 174.50 2cr4 s TYR 117 N -2.97 3.49 0.00 0.56 5.04 0.64 -4.10 117.35 120.01 2cr4 s TYR 117 Ca 0.66 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 2cr4 s TYR 117 Cb -0.18 -2.63 0.00 0.00 0.35 0.00 0.00 41.96 39.50 2cr4 s TYR 117 CO 0.58 0.17 0.00 0.41 -1.34 0.00 0.00 175.55 175.36 2cr4 n GLY 118 N 0.07 1.33 3.40 8.97 0.00 -1.26 -2.80 105.19 114.90 2cr4 n GLY 118 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 -1.56 -4.47 1.61 9.36 -1.26 -5.00 117.16 115.85 2cr4 n TYR 119 Ca 0.00 0.24 -0.32 0.00 3.32 0.00 0.00 57.90 61.14 2cr4 n TYR 119 Cb 0.00 -1.79 -0.10 0.00 -0.63 0.00 0.00 39.34 36.81 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2cr4 s THR 120 N -2.25 3.63 0.01 2.97 -1.32 -1.26 -4.97 115.64 112.45 2cr4 s THR 120 Ca 0.58 -0.78 -0.12 0.00 -1.21 0.00 0.00 61.69 60.16 2cr4 s THR 120 Cb -0.24 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.19 2cr4 s THR 120 CO 0.66 0.40 0.25 -0.94 -2.21 0.00 0.00 174.62 172.78 2cr4 s SER 121 N -1.40 -0.09 0.76 8.08 1.04 -1.26 -5.12 113.70 115.70 2cr4 s SER 121 Ca 0.17 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2cr4 s SER 121 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2cr4 s SER 121 CO 0.07 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2cr4 n GLY 122 N 1.11 0.09 3.71 7.32 0.00 -1.26 -4.82 105.19 111.33 2cr4 n GLY 122 Ca -0.21 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 2cr4 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr4 s PRO 123 N 0.00 1.19 0.31 1.61 0.04 -1.26 -4.89 135.00 132.00 2cr4 s PRO 123 Ca 0.00 0.80 0.06 0.00 0.04 0.00 0.00 61.00 61.91 2cr4 s PRO 123 Cb 0.00 -1.80 0.87 0.00 0.04 0.00 0.00 34.50 33.60 2cr4 s PRO 123 CO 0.00 -2.28 1.49 0.43 0.04 0.00 0.00 177.00 176.68 2cr4 n SER 124 N -3.91 0.00 -4.22 6.66 7.64 -1.26 -3.89 113.62 114.64 2cr4 n SER 124 Ca 0.07 1.61 -0.34 0.00 1.01 0.00 0.00 58.87 61.22 2cr4 n SER 124 Cb 0.55 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 2cr4 n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr4 s SER 125 N -4.89 3.65 0.00 6.43 0.01 -1.26 -5.01 113.70 112.63 2cr4 s SER 125 Ca -0.11 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2cr4 s SER 125 Cb 0.29 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2cr4 s SER 125 CO 0.74 0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.01