#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 -0.52 -0.22 1.61 0.15 -1.26 -5.12 113.70 108.35 2cr4 s SER 2 Ca 0.00 0.36 -0.37 0.00 0.70 0.00 0.00 55.95 56.64 2cr4 s SER 2 Cb 0.00 0.47 -0.13 0.00 -1.71 0.00 0.00 66.02 64.65 2cr4 s SER 2 CO 0.00 -0.63 1.87 -1.54 1.20 0.00 0.00 173.24 174.14 2cr4 n SER 3 N 0.37 2.79 -3.86 5.45 3.41 -1.26 -4.91 113.62 115.62 2cr4 n SER 3 Ca -0.15 0.93 -0.26 0.00 -0.26 0.00 0.00 58.87 59.14 2cr4 n SER 3 Cb 0.60 -1.25 0.18 0.00 -0.26 0.00 0.00 64.21 63.47 2cr4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr4 n GLY 4 N 4.66 -2.66 3.62 5.00 0.00 -1.26 -5.00 105.19 109.56 2cr4 n GLY 4 Ca 0.27 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.05 4.85 0.00 1.61 0.01 -1.26 -5.09 113.70 111.77 2cr4 s SER 5 Ca 0.49 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 2cr4 s SER 5 Cb -0.09 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.84 2cr4 s SER 5 CO 0.51 0.35 1.06 -0.44 0.41 0.00 0.00 173.24 175.13 2cr4 s SER 6 N -0.98 7.25 0.06 2.44 0.01 -1.26 -5.02 113.70 116.21 2cr4 s SER 6 Ca 0.14 1.76 -0.28 0.00 1.31 0.00 0.00 55.95 58.88 2cr4 s SER 6 Cb -0.11 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2cr4 s SER 6 CO 0.03 -0.37 0.88 -0.83 0.41 0.00 0.00 173.24 173.36 2cr4 s GLY 7 N 1.07 2.89 0.47 3.44 0.00 -1.26 -5.03 107.32 108.91 2cr4 s GLY 7 Ca 0.54 0.44 -0.22 0.00 0.00 0.00 0.00 44.72 45.47 2cr4 s GLY 7 CO 0.27 1.33 1.14 -1.83 0.00 0.00 0.00 173.10 174.01 2cr4 s GLU 8 N 0.14 3.72 -0.70 2.90 4.04 -1.26 -5.00 118.70 122.53 2cr4 s GLU 8 Ca 0.44 1.71 0.05 0.00 0.04 0.00 0.00 54.97 57.20 2cr4 s GLU 8 Cb -0.22 -2.33 0.17 0.00 0.02 0.00 0.00 34.13 31.77 2cr4 s GLU 8 CO 0.26 -0.57 0.49 0.16 -1.84 0.00 0.00 175.26 173.77 2cr4 s ASP 9 N -1.48 4.83 -0.25 0.83 1.47 -1.26 -5.05 116.67 115.76 2cr4 s ASP 9 Ca 0.65 -3.86 -0.04 0.00 1.18 0.00 0.00 52.55 50.49 2cr4 s ASP 9 Cb -0.27 -1.64 0.01 0.00 -0.34 0.00 0.00 42.92 40.69 2cr4 s ASP 9 CO 0.32 -0.08 -0.02 -0.31 0.68 0.00 0.00 175.17 175.76 2cr4 s TYR 10 N -1.46 3.06 -0.01 2.11 1.51 -1.26 -4.93 117.35 116.37 2cr4 s TYR 10 Ca 0.25 -1.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.15 2cr4 s TYR 10 Cb -0.05 -2.13 -0.09 0.00 -0.11 0.00 0.00 41.96 39.59 2cr4 s TYR 10 CO -0.17 -0.63 0.12 -0.85 -1.11 0.00 0.00 175.55 172.91 2cr4 n GLU 11 N 4.76 0.41 -0.91 -0.62 0.28 -1.26 -4.63 120.64 118.67 2cr4 n GLU 11 Ca -0.16 -0.05 -0.17 0.00 -0.16 0.00 0.00 57.16 56.62 2cr4 n GLU 11 Cb 0.48 -1.13 0.04 0.00 1.43 0.00 0.00 31.44 32.26 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cr4 n LYS 12 N -1.74 1.83 -4.02 3.44 5.02 -1.26 -4.90 118.16 116.53 2cr4 n LYS 12 Ca -0.02 -1.61 -0.35 0.00 -2.02 0.00 0.00 58.31 54.31 2cr4 n LYS 12 Cb 0.19 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.34 4.96 -0.02 -0.18 -7.23 -1.26 -5.03 120.40 109.30 2cr4 s VAL 13 Ca 0.32 0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.26 2cr4 s VAL 13 Cb 0.25 -3.19 -0.18 0.00 0.56 0.00 0.00 36.38 33.83 2cr4 s VAL 13 CO -0.01 0.54 1.14 1.55 -0.31 0.00 0.00 175.10 178.01 2cr4 h PRO 14 N 5.87 -0.18 -4.34 4.82 0.13 -2.00 -3.41 132.00 132.88 2cr4 h PRO 14 Ca -0.45 0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 2cr4 h PRO 14 Cb 1.19 0.04 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 2cr4 h PRO 14 CO 0.64 0.24 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.41 2cr4 s LEU 15 N -9.24 4.19 0.49 1.56 2.01 -1.26 -4.92 118.68 111.50 2cr4 s LEU 15 Ca -0.14 -2.12 -0.22 0.00 0.01 0.00 0.00 54.13 51.66 2cr4 s LEU 15 Cb 0.01 -1.46 -0.07 0.00 0.01 0.00 0.00 46.19 44.68 2cr4 s LEU 15 CO 0.58 -0.38 1.15 -2.16 1.01 0.00 0.00 176.35 176.55 2cr4 s PRO 16 N 0.96 3.63 0.00 1.29 0.04 -1.26 -4.89 135.00 134.76 2cr4 s PRO 16 Ca 0.11 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.97 2cr4 s PRO 16 Cb -0.19 -2.28 0.51 0.00 0.04 0.00 0.00 34.50 32.58 2cr4 s PRO 16 CO -0.11 -0.65 1.13 0.27 0.04 0.00 0.00 177.00 177.69 2cr4 n ASN 17 N -0.75 0.00 -0.05 6.66 6.94 -1.26 -2.49 115.26 124.31 2cr4 n ASN 17 Ca 0.09 -0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.50 2cr4 n ASN 17 Cb 0.49 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.65 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2cr4 h SER 18 N 0.00 0.60 -0.70 0.53 4.64 -1.90 -3.22 113.55 113.50 2cr4 h SER 18 Ca 0.00 -0.57 -0.05 0.00 -0.47 0.00 0.00 61.79 60.70 2cr4 h SER 18 Cb 0.06 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2cr4 h SER 18 CO 0.00 1.06 0.23 -0.37 -0.87 0.00 0.00 176.83 176.89 2cr4 h VAL 19 N 0.17 1.25 -1.91 0.95 -1.51 -1.38 -3.40 116.25 110.42 2cr4 h VAL 19 Ca -0.00 -0.87 -0.49 0.00 -1.23 0.00 0.00 66.70 64.11 2cr4 h VAL 19 Cb 0.98 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 2cr4 h VAL 19 CO 0.08 0.34 1.32 -0.36 -1.23 0.00 0.00 177.57 177.73 2cr4 s PHE 20 N -5.40 1.67 -0.08 5.19 0.40 -1.22 -1.45 117.98 117.08 2cr4 s PHE 20 Ca -0.12 0.78 -0.08 0.00 -0.60 0.00 0.00 56.93 56.91 2cr4 s PHE 20 Cb 0.15 -4.09 -0.04 0.00 0.51 0.00 0.00 43.02 39.55 2cr4 s PHE 20 CO 0.83 -2.28 0.20 0.54 0.70 0.00 0.00 175.22 175.21 2cr4 s VAL 21 N 9.14 5.41 -0.65 -0.44 0.11 -0.39 -4.98 120.40 128.60 2cr4 s VAL 21 Ca 0.67 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 60.03 2cr4 s VAL 21 Cb -0.12 -3.47 0.13 0.00 -1.53 0.00 0.00 36.38 31.39 2cr4 s VAL 21 CO 0.20 0.57 0.84 -3.20 -3.33 0.00 0.00 175.10 170.18 2cr4 n ASN 22 N 1.81 2.18 -4.72 3.54 2.85 -1.26 -3.60 115.26 116.06 2cr4 n ASN 22 Ca -0.18 -2.19 -0.37 0.00 -0.11 0.00 0.00 54.58 51.73 2cr4 n ASN 22 Cb 0.54 -0.54 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -1.10 5.29 -0.33 -0.44 -1.32 -1.26 -4.90 115.64 111.58 2cr4 s THR 23 Ca 0.10 0.59 0.09 0.00 -1.21 0.00 0.00 61.69 61.26 2cr4 s THR 23 Cb 0.07 -3.65 0.61 0.00 -1.51 0.00 0.00 72.50 68.02 2cr4 s THR 23 CO 0.03 0.37 1.66 0.35 -2.21 0.00 0.00 174.62 174.82 2cr4 n THR 24 N 3.65 2.79 -3.92 5.08 -2.24 -1.26 -2.26 114.28 116.11 2cr4 n THR 24 Ca -0.11 -2.15 -0.14 0.00 -2.27 0.00 0.00 64.05 59.37 2cr4 n THR 24 Cb 0.52 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.15 0.13 0.00 -0.78 2.02 -1.26 -4.67 118.70 111.00 2cr4 s GLU 25 Ca 0.50 0.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.25 2cr4 s GLU 25 Cb 0.43 -0.21 -0.19 0.00 0.10 0.00 0.00 34.13 34.25 2cr4 s GLU 25 CO 0.07 -0.03 1.37 0.77 0.02 0.00 0.00 175.26 177.46 2cr4 h SER 26 N 6.53 0.01 -1.09 -0.19 0.02 -1.96 -3.06 113.55 113.81 2cr4 h SER 26 Ca -0.32 -0.38 0.39 0.00 -0.84 0.00 0.00 61.79 60.64 2cr4 h SER 26 Cb 1.18 -0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.56 2cr4 h SER 26 CO 0.50 0.39 0.64 0.00 -1.14 0.00 0.00 176.83 177.22 2cr4 h GLU 28 N 0.13 -0.55 -0.55 0.00 4.81 -1.97 -3.17 114.58 113.28 2cr4 h GLU 28 Ca 0.80 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 60.12 2cr4 h GLU 28 Cb 2.14 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 31.58 2cr4 h GLU 28 CO -0.62 -0.37 -0.33 0.28 -0.73 0.00 0.00 179.01 177.25 2cr4 n VAL 29 N -3.84 -0.38 -0.36 0.32 0.31 -0.38 0.52 118.33 114.53 2cr4 n VAL 29 Ca -0.07 1.64 0.03 0.00 -0.01 0.00 0.00 64.34 65.93 2cr4 n VAL 29 Cb 0.23 -2.06 0.09 0.00 -0.91 0.00 0.00 33.84 31.20 2cr4 n VAL 29 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2cr4 n GLU 30 N -4.36 -0.15 -0.18 5.55 2.13 -1.05 0.69 120.64 123.26 2cr4 n GLU 30 Ca 0.01 1.50 -0.09 0.00 0.66 0.00 0.00 57.16 59.25 2cr4 n GLU 30 Cb 0.14 -2.24 0.01 0.00 0.27 0.00 0.00 31.44 29.63 2cr4 n GLU 30 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2cr4 h ARG 31 N 0.00 0.82 -0.04 5.31 9.65 0.10 -2.81 114.38 127.41 2cr4 h ARG 31 Ca 0.41 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 2cr4 h ARG 31 Cb 0.65 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 2cr4 h ARG 31 CO -0.98 0.77 -0.11 -0.07 2.80 0.00 0.00 179.97 182.37 2cr4 h LEU 32 N 0.72 -0.34 0.17 3.80 3.38 0.25 0.87 115.31 124.16 2cr4 h LEU 32 Ca 0.17 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2cr4 h LEU 32 Cb 0.30 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2cr4 h LEU 32 CO -0.00 -0.16 -0.51 -0.26 0.09 0.00 0.00 178.44 177.60 2cr4 h PHE 33 N -0.17 -1.48 0.00 1.13 -1.00 -0.63 0.30 116.94 115.09 2cr4 h PHE 33 Ca 0.06 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 2cr4 h PHE 33 Cb 0.25 0.62 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 2cr4 h PHE 33 CO -0.20 -0.59 -0.18 0.87 -1.61 0.00 0.00 178.31 176.60 2cr4 h LYS 34 N -0.77 0.00 0.26 1.51 1.57 -1.37 -3.07 116.57 114.70 2cr4 h LYS 34 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2cr4 h LYS 34 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2cr4 h LYS 34 CO -0.25 0.18 -0.12 0.00 -0.57 0.00 0.00 179.45 178.68 2cr4 h ALA 35 N 1.82 -0.73 -0.68 3.86 0.00 0.20 -3.07 119.26 120.65 2cr4 h ALA 35 Ca -0.00 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.03 2cr4 h ALA 35 Cb 0.37 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2cr4 h ALA 35 CO 0.02 -0.70 0.90 0.00 0.00 0.00 0.00 179.25 179.47 2cr4 h THR 36 N -0.49 0.11 -3.28 0.00 1.03 -0.46 -3.39 112.91 106.43 2cr4 h THR 36 Ca -0.04 0.00 -0.55 0.00 -0.01 0.00 0.00 66.41 65.81 2cr4 h THR 36 Cb 0.27 0.25 -0.03 0.00 -1.07 0.00 0.00 68.15 67.57 2cr4 h THR 36 CO 0.06 0.00 0.52 -0.55 -0.01 0.00 0.00 175.52 175.54 2cr4 s SER 37 N -4.04 7.25 0.00 0.00 0.15 -1.16 -4.91 113.70 110.98 2cr4 s SER 37 Ca -0.03 1.64 0.14 0.00 0.70 0.00 0.00 55.95 58.40 2cr4 s SER 37 Cb 0.13 -2.56 0.81 0.00 -1.71 0.00 0.00 66.02 62.69 2cr4 s SER 37 CO 0.44 -0.41 1.23 -0.81 1.20 0.00 0.00 173.24 174.89 2cr4 n PRO 38 N 4.62 0.49 -0.36 5.44 -0.04 -1.26 -2.06 135.00 141.83 2cr4 n PRO 38 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2cr4 n PRO 38 Cb 0.49 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2cr4 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cr4 n ARG 39 N -0.93 0.83 -2.58 0.54 1.74 -1.26 -4.98 116.66 110.02 2cr4 n ARG 39 Ca 0.10 -2.14 -0.11 0.00 -0.77 0.00 0.00 57.85 54.93 2cr4 n ARG 39 Cb 0.05 -1.10 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.82 -0.50 3.16 -0.13 0.00 -0.87 -4.90 105.19 101.13 2cr4 n GLY 40 Ca 0.11 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.15 0.39 1.03 1.61 -1.05 -1.25 -4.87 118.70 109.41 2cr4 s GLU 41 Ca 0.05 0.89 -0.13 0.00 -0.15 0.00 0.00 54.97 55.64 2cr4 s GLU 41 Cb -0.03 0.12 0.21 0.00 -0.44 0.00 0.00 34.13 33.99 2cr4 s GLU 41 CO 0.07 -0.43 1.09 -1.25 0.95 0.00 0.00 175.26 175.69 2cr4 s PRO 42 N 2.65 0.14 0.01 -4.83 0.04 -1.26 -4.87 135.00 126.88 2cr4 s PRO 42 Ca 0.06 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.45 2cr4 s PRO 42 Cb -0.14 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2cr4 s PRO 42 CO -0.15 -2.91 0.29 -0.65 0.04 0.00 0.00 177.00 173.62 2cr4 s GLN 43 N -5.00 3.64 -0.16 4.56 -0.21 -1.26 -5.02 119.66 116.20 2cr4 s GLN 43 Ca 0.66 0.02 -0.32 0.00 0.02 0.00 0.00 55.36 55.74 2cr4 s GLN 43 Cb -0.18 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.65 2cr4 s GLN 43 CO 0.58 0.65 2.07 -3.47 -2.12 0.00 0.00 175.29 173.00 2cr4 n ASP 44 N 1.25 3.25 0.00 5.90 -0.08 -1.26 -1.26 116.55 124.35 2cr4 n ASP 44 Ca -0.12 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 2cr4 n ASP 44 Cb 0.53 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.55 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 5.30 0.88 3.56 0.27 0.00 -1.24 -4.69 105.19 109.27 2cr4 n GLY 45 Ca 0.28 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 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 2.93 -4.62 0.99 7.94 -0.39 -3.37 117.00 120.48 2cr4 n LEU 46 Ca 0.00 0.19 -0.25 0.00 -1.11 0.00 0.00 56.01 54.85 2cr4 n LEU 46 Cb 0.00 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.37 2cr4 n LEU 46 CO 0.00 -0.76 -0.31 -0.72 -1.11 0.00 0.00 177.39 174.49 2cr4 s TYR 47 N 8.40 2.53 0.24 1.96 1.13 -0.86 0.42 117.35 131.17 2cr4 s TYR 47 Ca 1.03 -0.45 -0.16 0.00 -1.41 0.00 0.00 57.07 56.08 2cr4 s TYR 47 Cb -0.44 -1.48 0.06 0.00 -1.10 0.00 0.00 41.96 39.00 2cr4 s TYR 47 CO 0.38 0.49 0.80 0.00 -2.51 0.00 0.00 175.55 174.70 2cr4 s ILE 49 N -2.17 0.15 0.57 0.00 1.01 -0.53 -1.82 121.20 118.41 2cr4 s ILE 49 Ca 0.17 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.35 2cr4 s ILE 49 Cb -0.03 -0.91 0.08 0.00 0.01 0.00 0.00 42.46 41.61 2cr4 s ILE 49 CO 0.07 -0.44 0.78 0.00 0.00 0.00 0.00 174.94 175.35 2cr4 s ARG 50 N 2.01 2.32 0.28 2.79 1.70 -1.14 -1.27 118.95 125.65 2cr4 s ARG 50 Ca 0.04 -1.53 -0.10 0.00 -0.47 0.00 0.00 55.73 53.67 2cr4 s ARG 50 Cb -0.16 -2.63 -0.07 0.00 -0.57 0.00 0.00 34.95 31.51 2cr4 s ARG 50 CO -0.19 -0.84 0.61 -0.80 -1.08 0.00 0.00 175.30 173.00 2cr4 s ASN 51 N -4.63 6.60 -0.58 -2.89 0.01 -0.96 -1.78 114.94 110.71 2cr4 s ASN 51 Ca 0.61 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 2cr4 s ASN 51 Cb -0.06 -2.25 0.49 0.00 0.41 0.00 0.00 41.25 39.84 2cr4 s ASN 51 CO 0.39 -0.16 1.92 -0.24 -1.51 0.00 0.00 177.10 177.49 2cr4 n SER 52 N -0.50 6.55 -2.25 -1.22 2.88 -1.10 -4.43 113.62 113.56 2cr4 n SER 52 Ca 0.01 -3.76 -0.18 0.00 -1.33 0.00 0.00 58.87 53.62 2cr4 n SER 52 Cb 0.53 -0.88 -0.02 0.00 -0.75 0.00 0.00 64.21 63.09 2cr4 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr4 n SER 53 N -0.95 -5.09 -3.77 -3.46 2.88 -1.26 -4.95 113.62 97.02 2cr4 n SER 53 Ca 0.60 0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 58.14 2cr4 n SER 53 Cb 0.88 -4.31 -0.13 0.00 -0.75 0.00 0.00 64.21 59.91 2cr4 n SER 53 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2cr4 s THR 54 N -2.82 -0.02 0.25 2.46 2.01 -1.26 -5.04 115.64 111.23 2cr4 s THR 54 Ca 0.00 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 2cr4 s THR 54 Cb 0.00 -0.31 0.29 0.00 0.01 0.00 0.00 72.50 72.50 2cr4 s THR 54 CO 0.00 0.03 1.63 0.11 -0.69 0.00 0.00 174.62 175.70 2cr4 h LYS 55 N 6.40 0.10 -3.39 4.92 1.79 -2.03 -3.08 116.57 121.28 2cr4 h LYS 55 Ca -0.32 -0.01 -0.70 0.00 -2.18 0.00 0.00 60.65 57.45 2cr4 h LYS 55 Cb 1.18 -0.02 -0.36 0.00 -1.58 0.00 0.00 32.23 31.45 2cr4 h LYS 55 CO 0.39 0.06 -0.21 0.45 -1.08 0.00 0.00 179.45 179.06 2cr4 s SER 56 N -5.17 5.68 0.00 0.86 0.15 -1.26 -5.00 113.70 108.96 2cr4 s SER 56 Ca -0.13 -3.45 0.00 0.00 0.70 0.00 0.00 55.95 53.07 2cr4 s SER 56 Cb 0.23 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2cr4 s SER 56 CO 0.76 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2cr4 n GLY 57 N 2.69 1.43 3.03 9.45 0.00 -1.16 -5.03 105.19 115.60 2cr4 n GLY 57 Ca 0.17 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N -0.74 0.46 -0.20 1.61 -0.14 -1.25 -2.69 119.74 116.78 2cr4 s LYS 58 Ca 0.00 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 2cr4 s LYS 58 Cb 0.00 0.01 0.06 0.00 -1.68 0.00 0.00 37.83 36.22 2cr4 s LYS 58 CO 0.00 -0.04 0.00 0.08 -0.76 0.00 0.00 175.35 174.64 2cr4 s VAL 59 N -2.08 0.84 -0.09 3.17 1.01 -0.73 0.17 120.40 122.69 2cr4 s VAL 59 Ca -0.08 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2cr4 s VAL 59 Cb -0.05 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2cr4 s VAL 59 CO -0.03 -0.12 1.60 -0.22 0.00 0.00 0.00 175.10 176.32 2cr4 s LEU 60 N 1.72 4.24 -0.20 3.92 2.96 0.29 -2.86 118.68 128.76 2cr4 s LEU 60 Ca -0.02 2.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.96 2cr4 s LEU 60 Cb -0.17 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2cr4 s LEU 60 CO -0.07 -0.95 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.20 2cr4 s VAL 61 N 4.13 2.77 0.13 1.68 1.01 -0.75 0.21 120.40 129.58 2cr4 s VAL 61 Ca 0.71 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2cr4 s VAL 61 Cb -0.31 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2cr4 s VAL 61 CO 0.27 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 175.17 2cr4 s VAL 62 N 1.33 3.90 -0.06 2.92 1.01 -1.26 -1.25 120.40 127.00 2cr4 s VAL 62 Ca 0.04 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 2cr4 s VAL 62 Cb -0.14 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2cr4 s VAL 62 CO -0.07 0.02 0.38 0.86 0.00 0.00 0.00 175.10 176.28 2cr4 s TRP 63 N -1.49 3.63 -0.88 5.22 -0.11 0.17 -1.95 118.94 123.52 2cr4 s TRP 63 Ca 0.26 0.86 -0.02 0.00 1.22 0.00 0.00 56.10 58.43 2cr4 s TRP 63 Cb -0.11 -2.32 0.22 0.00 -1.50 0.00 0.00 33.47 29.77 2cr4 s TRP 63 CO 0.19 0.49 0.77 -0.51 -4.62 0.00 0.00 176.95 173.26 2cr4 s ASP 64 N -0.48 5.96 0.54 5.86 1.01 0.79 -3.65 116.67 126.71 2cr4 s ASP 64 Ca 0.22 -3.70 0.26 0.00 0.71 0.00 0.00 52.55 50.04 2cr4 s ASP 64 Cb -0.15 -1.90 1.43 0.00 1.01 0.00 0.00 42.92 43.31 2cr4 s ASP 64 CO 0.10 -0.19 1.99 -0.08 0.21 0.00 0.00 175.17 177.21 2cr4 h GLU 65 N 6.04 0.00 -0.12 8.23 4.57 -1.89 1.33 114.58 132.73 2cr4 h GLU 65 Ca 0.15 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2cr4 h GLU 65 Cb 0.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2cr4 h GLU 65 CO 0.85 0.00 -0.12 1.79 -1.18 0.00 0.00 179.01 180.35 2cr4 h THR 66 N 0.00 1.16 0.00 0.32 1.35 -1.95 -2.99 112.91 110.80 2cr4 h THR 66 Ca 0.23 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2cr4 h THR 66 Cb 0.99 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2cr4 h THR 66 CO -0.00 0.21 -0.02 -1.20 -0.25 0.00 0.00 175.52 174.26 2cr4 n SER 67 N -4.31 1.74 -4.18 5.36 7.64 0.45 -5.01 113.62 115.32 2cr4 n SER 67 Ca -0.01 -2.06 -0.30 0.00 1.01 0.00 0.00 58.87 57.50 2cr4 n SER 67 Cb 0.25 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.58 0.15 -2.19 6.43 2.85 0.43 -4.92 115.26 117.43 2cr4 n ASN 68 Ca 0.03 -1.19 -0.10 0.00 -0.11 0.00 0.00 54.58 53.21 2cr4 n ASN 68 Cb 0.36 -2.08 -0.03 0.00 1.24 0.00 0.00 39.78 39.27 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 -4.55 0.28 -4.26 1.20 2.85 -0.97 -4.98 118.16 107.73 2cr4 n LYS 69 Ca -0.31 -1.74 -0.18 0.00 -1.05 0.00 0.00 58.31 55.03 2cr4 n LYS 69 Cb 0.69 1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 36.44 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 -2.71 0.88 0.54 0.58 -7.23 -1.26 -0.14 120.40 111.05 2cr4 s VAL 70 Ca 0.20 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2cr4 s VAL 70 Cb 0.01 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 36.17 2cr4 s VAL 70 CO 0.14 -0.07 0.57 -0.13 -0.31 0.00 0.00 175.10 175.30 2cr4 s ARG 71 N -1.09 2.33 -0.16 4.82 1.81 -0.82 -4.98 118.95 120.85 2cr4 s ARG 71 Ca -0.01 -1.78 -0.03 0.00 -1.72 0.00 0.00 55.73 52.19 2cr4 s ARG 71 Cb -0.07 -2.38 0.05 0.00 -0.45 0.00 0.00 34.95 32.10 2cr4 s ARG 71 CO 0.01 -0.66 0.03 -0.80 -0.68 0.00 0.00 175.30 173.20 2cr4 s ASN 72 N -4.43 2.52 -0.50 0.23 0.01 -1.26 -4.06 114.94 107.45 2cr4 s ASN 72 Ca 0.48 -0.61 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2cr4 s ASN 72 Cb -0.04 -0.54 0.13 0.00 0.41 0.00 0.00 41.25 41.21 2cr4 s ASN 72 CO 0.30 -0.28 0.26 -0.31 -1.51 0.00 0.00 177.10 175.56 2cr4 s TYR 73 N 1.90 3.38 0.30 2.20 2.02 0.13 -4.99 117.35 122.30 2cr4 s TYR 73 Ca 0.01 -2.96 -0.30 0.00 -0.37 0.00 0.00 57.07 53.45 2cr4 s TYR 73 Cb -0.16 -2.97 -0.12 0.00 -0.40 0.00 0.00 41.96 38.31 2cr4 s TYR 73 CO -0.07 -0.82 1.54 -2.13 -1.57 0.00 0.00 175.55 172.49 2cr4 n ARG 74 N 3.54 2.59 -3.76 -0.62 0.00 -1.26 0.11 116.66 117.25 2cr4 n ARG 74 Ca 0.05 0.92 -0.37 0.00 -0.00 0.00 0.00 57.85 58.44 2cr4 n ARG 74 Cb 0.36 -2.66 -0.13 0.00 0.00 0.00 0.00 32.46 30.03 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 -0.26 3.88 0.18 5.15 1.01 0.13 -4.54 121.20 126.75 2cr4 s ILE 75 Ca 0.62 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 2cr4 s ILE 75 Cb -0.51 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2cr4 s ILE 75 CO 0.52 0.01 0.36 -0.36 0.00 0.00 0.00 174.94 175.47 2cr4 s PHE 76 N 1.47 3.48 -0.33 3.97 0.40 -0.88 -3.96 117.98 122.13 2cr4 s PHE 76 Ca 0.01 0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 2cr4 s PHE 76 Cb -0.18 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.58 2cr4 s PHE 76 CO 0.02 0.42 0.07 -2.00 0.70 0.00 0.00 175.22 174.43 2cr4 s GLU 77 N -3.22 2.43 -0.01 0.44 2.12 -1.26 -2.29 118.70 116.91 2cr4 s GLU 77 Ca 0.38 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.38 2cr4 s GLU 77 Cb -0.11 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.94 2cr4 s GLU 77 CO 0.29 -0.71 0.01 0.21 -0.54 0.00 0.00 175.26 174.52 2cr4 s LYS 78 N 1.29 -0.01 -1.45 4.30 2.20 -0.65 -4.83 119.74 120.60 2cr4 s LYS 78 Ca -0.02 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2cr4 s LYS 78 Cb -0.20 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.00 2cr4 s LYS 78 CO -0.00 -0.08 0.27 -3.47 -0.36 0.00 0.00 175.35 171.71 2cr4 n ASP 79 N 3.63 -5.10 -2.08 1.43 -0.08 -1.26 -0.53 116.55 112.56 2cr4 n ASP 79 Ca -0.20 -0.11 -0.18 0.00 -1.51 0.00 0.00 54.79 52.79 2cr4 n ASP 79 Cb 0.55 -4.21 -0.01 0.00 2.34 0.00 0.00 41.12 39.79 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2cr4 n SER 80 N -2.17 -5.25 -3.84 1.67 7.64 -1.26 -4.99 113.62 105.42 2cr4 n SER 80 Ca -0.14 -0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.59 2cr4 n SER 80 Cb 0.62 -4.31 -0.14 0.00 -1.01 0.00 0.00 64.21 59.38 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 -4.93 0.07 -0.05 1.43 1.02 0.31 -4.69 119.74 112.91 2cr4 s LYS 81 Ca 0.01 0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.87 2cr4 s LYS 81 Cb -0.01 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 2cr4 s LYS 81 CO 0.02 -0.02 0.72 -0.06 -0.92 0.00 0.00 175.35 175.08 2cr4 s PHE 82 N 0.13 3.61 0.07 3.18 0.08 -0.89 -1.64 117.98 122.52 2cr4 s PHE 82 Ca -0.01 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.35 2cr4 s PHE 82 Cb -0.01 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 2cr4 s PHE 82 CO -0.00 0.12 -0.05 1.52 -0.10 0.00 0.00 175.22 176.71 2cr4 s TYR 83 N 0.66 0.69 -0.01 0.36 -0.85 -0.97 -1.15 117.35 116.09 2cr4 s TYR 83 Ca 0.38 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.98 2cr4 s TYR 83 Cb -0.18 -0.44 -0.01 0.00 0.38 0.00 0.00 41.96 41.70 2cr4 s TYR 83 CO 0.19 -0.26 0.00 1.28 -1.52 0.00 0.00 175.55 175.25 2cr4 n LEU 84 N 0.12 0.41 -0.11 -3.49 4.77 -1.26 -2.06 117.00 115.38 2cr4 n LEU 84 Ca -0.14 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 2cr4 n LEU 84 Cb 0.61 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.56 2cr4 n LEU 84 CO 0.29 0.09 -1.22 -1.84 -1.33 0.00 0.00 177.39 173.37 2cr4 n GLU 85 N -2.09 0.69 0.00 3.23 0.00 -1.26 -4.97 120.64 116.24 2cr4 n GLU 85 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2cr4 n GLU 85 Cb 0.52 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.45 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 1.94 0.87 0.39 -1.84 0.00 -1.26 -4.84 105.19 100.44 2cr4 n GLY 86 Ca -0.37 -0.74 0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.02 -2.95 1.61 -0.00 -1.26 -3.40 120.64 114.61 2cr4 n GLU 87 Ca 0.00 0.87 -0.43 0.00 -0.00 0.00 0.00 57.16 57.60 2cr4 n GLU 87 Cb 0.00 -1.80 -0.05 0.00 -0.00 0.00 0.00 31.44 29.60 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2cr4 s VAL 88 N -4.67 4.53 0.25 3.84 1.01 -1.26 -5.01 120.40 119.10 2cr4 s VAL 88 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2cr4 s VAL 88 Cb 0.22 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2cr4 s VAL 88 CO 0.61 -1.17 0.02 0.18 0.00 0.00 0.00 175.10 174.74 2cr4 n LEU 89 N 7.10 0.00 -3.55 3.92 4.32 -1.22 -4.15 117.00 123.42 2cr4 n LEU 89 Ca -0.04 -1.55 -0.12 0.00 -0.02 0.00 0.00 56.01 54.28 2cr4 n LEU 89 Cb 0.46 0.16 -0.11 0.00 -1.62 0.00 0.00 43.42 42.30 2cr4 n LEU 89 CO 0.61 -0.24 -0.09 -0.36 -1.22 0.00 0.00 177.39 176.08 2cr4 s PHE 90 N -1.85 -0.57 0.22 -1.77 0.40 -0.30 -4.95 117.98 109.16 2cr4 s PHE 90 Ca 0.01 0.91 0.15 0.00 -0.60 0.00 0.00 56.93 57.40 2cr4 s PHE 90 Cb -0.00 -0.01 0.79 0.00 0.51 0.00 0.00 43.02 44.31 2cr4 s PHE 90 CO 0.01 -0.52 0.88 1.33 0.70 0.00 0.00 175.22 177.62 2cr4 n VAL 91 N 5.36 -0.19 -3.62 -0.44 0.24 -1.26 -2.10 118.33 116.31 2cr4 n VAL 91 Ca -0.06 1.08 -0.16 0.00 -2.04 0.00 0.00 64.34 63.16 2cr4 n VAL 91 Cb 0.50 -1.76 -0.07 0.00 -1.47 0.00 0.00 33.84 31.04 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2cr4 s SER 92 N -4.59 -0.46 0.30 -1.34 1.04 -1.26 -4.53 113.70 102.86 2cr4 s SER 92 Ca -0.05 0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.88 2cr4 s SER 92 Cb 0.18 0.45 0.78 0.00 0.10 0.00 0.00 66.02 67.54 2cr4 s SER 92 CO 0.45 -0.53 1.49 0.52 0.98 0.00 0.00 173.24 176.14 2cr4 n VAL 93 N 1.10 -0.40 -0.10 5.02 0.31 -1.26 -1.23 118.33 121.77 2cr4 n VAL 93 Ca -0.20 2.08 -0.05 0.00 -0.01 0.00 0.00 64.34 66.15 2cr4 n VAL 93 Cb 0.57 -3.07 -0.04 0.00 -0.91 0.00 0.00 33.84 30.39 2cr4 n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2cr4 h GLY 94 N 0.00 -1.68 -0.41 2.92 0.00 -1.93 -0.13 103.07 101.84 2cr4 h GLY 94 Ca 0.60 0.86 0.20 0.00 0.00 0.00 0.00 47.33 48.99 2cr4 h GLY 94 CO -0.88 -0.51 0.09 0.23 0.00 0.00 0.00 176.54 175.46 2cr4 h SER 95 N -0.11 -0.23 0.06 0.19 0.87 -1.54 -0.24 113.55 112.55 2cr4 h SER 95 Ca 0.04 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2cr4 h SER 95 Cb 0.23 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2cr4 h SER 95 CO -0.30 -0.17 -0.29 -0.03 -0.53 0.00 0.00 176.83 175.51 2cr4 h MET 96 N 0.14 -0.45 -0.71 2.24 4.05 -0.98 0.92 114.93 120.14 2cr4 h MET 96 Ca 0.47 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 60.05 2cr4 h MET 96 Cb 0.87 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.69 2cr4 h MET 96 CO -0.67 -0.30 0.27 0.28 0.23 0.00 0.00 176.91 176.72 2cr4 h VAL 97 N -0.46 0.68 -0.02 -5.77 2.07 0.61 0.17 116.25 113.53 2cr4 h VAL 97 Ca 0.05 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2cr4 h VAL 97 Cb 0.52 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2cr4 h VAL 97 CO -0.21 0.08 -0.32 -0.33 0.02 0.00 0.00 177.57 176.81 2cr4 h GLU 98 N 0.43 0.04 -0.06 1.57 5.08 -0.68 -1.97 114.58 118.99 2cr4 h GLU 98 Ca 0.38 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2cr4 h GLU 98 Cb 0.55 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2cr4 h GLU 98 CO -0.38 0.36 -0.19 1.25 -1.00 0.00 0.00 179.01 179.05 2cr4 h HIS 99 N 0.04 0.31 -0.22 4.33 -0.00 0.17 -3.21 115.15 116.57 2cr4 h HIS 99 Ca 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 2cr4 h HIS 99 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 2cr4 h HIS 99 CO 0.00 0.80 -0.04 1.88 -0.00 0.00 0.00 177.93 180.57 2cr4 h TYR 100 N -0.27 0.34 -1.66 5.26 0.05 -0.80 -2.63 116.97 117.26 2cr4 h TYR 100 Ca -0.00 -0.03 0.48 0.00 0.05 0.00 0.00 58.73 59.23 2cr4 h TYR 100 Cb 0.80 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 38.38 2cr4 h TYR 100 CO 0.12 0.39 1.29 0.72 -1.05 0.00 0.00 178.16 179.63 2cr4 n HIS 101 N -4.31 0.00 -0.00 4.88 8.25 -0.75 0.96 115.22 124.24 2cr4 n HIS 101 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2cr4 n HIS 101 Cb 0.23 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 2cr4 n HIS 101 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cr4 n THR 102 N -3.64 0.03 -3.63 1.59 -2.24 -1.06 -4.82 114.28 100.51 2cr4 n THR 102 Ca 0.37 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.65 2cr4 n THR 102 Cb 1.79 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 70.21 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.30 3.51 0.32 4.78 4.02 0.27 -5.07 115.29 120.82 2cr4 s HIS 103 Ca -0.02 -2.61 -0.20 0.00 1.02 0.00 0.00 55.06 53.26 2cr4 s HIS 103 Cb 0.03 -3.33 -0.14 0.00 -1.02 0.00 0.00 32.58 28.12 2cr4 s HIS 103 CO 0.19 -0.86 0.16 1.55 1.02 0.00 0.00 174.74 176.80 2cr4 n VAL 104 N 3.46 0.83 -1.55 -0.90 3.14 -1.23 -4.43 118.33 117.65 2cr4 n VAL 104 Ca 0.10 -0.44 -0.32 0.00 -2.96 0.00 0.00 64.34 60.72 2cr4 n VAL 104 Cb 0.40 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.24 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 3.60 3.26 0.95 6.55 1.43 -0.66 -4.96 118.68 128.85 2cr4 s LEU 105 Ca 0.53 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 2cr4 s LEU 105 Cb -0.62 -4.55 0.16 0.00 0.03 0.00 0.00 46.19 41.21 2cr4 s LEU 105 CO 0.54 -1.85 1.09 -2.16 0.23 0.00 0.00 176.35 174.21 2cr4 s PRO 106 N -4.33 0.86 -1.47 1.29 0.04 -1.26 -3.80 135.00 126.32 2cr4 s PRO 106 Ca 0.66 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2cr4 s PRO 106 Cb -0.20 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2cr4 s PRO 106 CO 0.47 -2.48 0.00 0.43 0.04 0.00 0.00 177.00 175.46 2cr4 n SER 107 N -4.02 -4.76 -2.06 6.66 7.64 -1.26 -4.95 113.62 110.88 2cr4 n SER 107 Ca 0.06 0.17 -0.06 0.00 1.01 0.00 0.00 58.87 60.05 2cr4 n SER 107 Cb 0.56 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 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 -3.34 -1.47 -0.01 1.43 -0.00 -1.25 -5.10 115.22 105.47 2cr4 n HIS 108 Ca -0.17 -1.17 -0.05 0.00 -0.00 0.00 0.00 57.72 56.33 2cr4 n HIS 108 Cb 0.58 0.44 -0.02 0.00 -0.00 0.00 0.00 29.99 30.99 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 -0.31 0.21 -2.89 1.57 10.64 -1.26 -4.89 117.38 120.44 2cr4 n GLN 109 Ca -0.03 0.09 -0.17 0.00 -1.83 0.00 0.00 57.00 55.05 2cr4 n GLN 109 Cb 0.33 -0.86 -0.01 0.00 -0.86 0.00 0.00 30.24 28.84 2cr4 n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2cr4 n SER 110 N -3.79 1.99 -4.22 2.61 3.41 -1.26 -4.91 113.62 107.44 2cr4 n SER 110 Ca -0.09 -3.08 -0.42 0.00 -0.26 0.00 0.00 58.87 55.02 2cr4 n SER 110 Cb 0.30 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2cr4 s LEU 111 N -2.94 5.92 0.43 1.04 2.96 -1.26 -5.04 118.68 119.80 2cr4 s LEU 111 Ca 0.38 -2.35 0.08 0.00 -0.22 0.00 0.00 54.13 52.01 2cr4 s LEU 111 Cb 0.38 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2cr4 s LEU 111 CO -0.06 -0.59 0.38 -0.76 -1.32 0.00 0.00 176.35 173.99 2cr4 s LEU 112 N 0.70 3.31 -0.43 -0.68 1.43 -1.26 -1.65 118.68 120.10 2cr4 s LEU 112 Ca 0.12 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 2cr4 s LEU 112 Cb -0.21 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2cr4 s LEU 112 CO -0.03 -0.70 0.55 -0.76 0.23 0.00 0.00 176.35 175.64 2cr4 s LEU 113 N -4.14 4.65 -0.16 1.79 1.43 -1.26 -4.60 118.68 116.39 2cr4 s LEU 113 Ca 0.47 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 2cr4 s LEU 113 Cb -0.03 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2cr4 s LEU 113 CO 0.27 -0.69 -0.31 0.54 0.23 0.00 0.00 176.35 176.40 2cr4 n ARG 114 N 5.97 0.47 -4.53 1.70 1.74 -1.22 -4.76 116.66 116.03 2cr4 n ARG 114 Ca -0.04 0.19 -0.22 0.00 -0.77 0.00 0.00 57.85 57.01 2cr4 n ARG 114 Cb 0.48 -1.32 -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 -2.68 1.18 1.06 -1.55 3.76 -1.23 -5.05 115.29 110.78 2cr4 s HIS 115 Ca -0.25 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.21 2cr4 s HIS 115 Cb 0.04 -0.81 0.22 0.00 1.11 0.00 0.00 32.58 33.13 2cr4 s HIS 115 CO 0.38 -0.11 1.10 -1.25 -0.85 0.00 0.00 174.74 174.01 2cr4 s PRO 116 N 0.10 -0.06 0.36 8.40 0.04 -1.26 -2.03 135.00 140.54 2cr4 s PRO 116 Ca -0.02 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 2cr4 s PRO 116 Cb -0.09 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2cr4 s PRO 116 CO 0.01 -3.03 0.73 -0.47 0.04 0.00 0.00 177.00 174.28 2cr4 s TYR 117 N -2.98 3.43 0.00 0.56 5.04 0.54 -4.20 117.35 119.75 2cr4 s TYR 117 Ca 0.67 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2cr4 s TYR 117 Cb -0.17 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.70 2cr4 s TYR 117 CO 0.57 0.01 0.00 0.41 -1.34 0.00 0.00 175.55 175.20 2cr4 n GLY 118 N -0.86 1.15 3.21 8.97 0.00 -1.26 -2.98 105.19 113.42 2cr4 n GLY 118 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 -4.08 1.61 9.36 -1.26 -5.04 117.16 115.70 2cr4 n TYR 119 Ca 0.00 -0.09 -0.14 0.00 3.32 0.00 0.00 57.90 60.98 2cr4 n TYR 119 Cb 0.00 -1.49 -0.14 0.00 -0.63 0.00 0.00 39.34 37.08 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 -2.18 0.32 -0.19 2.97 -1.32 -1.26 -5.00 115.64 108.97 2cr4 s THR 120 Ca 0.53 -0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 2cr4 s THR 120 Cb -0.12 -0.29 0.04 0.00 -1.51 0.00 0.00 72.50 70.62 2cr4 s THR 120 CO 0.55 0.03 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.94 2cr4 s SER 121 N -0.26 3.21 0.87 8.08 1.04 -1.26 -5.12 113.70 120.26 2cr4 s SER 121 Ca -0.00 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 2cr4 s SER 121 Cb -0.02 -1.21 0.09 0.00 0.10 0.00 0.00 66.02 64.98 2cr4 s SER 121 CO -0.00 -0.13 0.98 0.61 0.98 0.00 0.00 173.24 175.69 2cr4 n GLY 122 N 4.71 -0.64 3.77 7.32 0.00 -1.26 -4.96 105.19 114.14 2cr4 n GLY 122 Ca -0.15 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.13 3.41 -0.66 1.61 0.04 -1.26 -4.96 135.00 129.05 2cr4 s PRO 123 Ca 0.67 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 2cr4 s PRO 123 Cb -0.26 -2.05 0.43 0.00 0.04 0.00 0.00 34.50 32.66 2cr4 s PRO 123 CO 0.57 -0.81 1.92 -1.13 0.04 0.00 0.00 177.00 177.60 2cr4 n SER 124 N -1.20 7.30 -4.04 6.66 3.41 -1.26 -5.03 113.62 119.46 2cr4 n SER 124 Ca 0.11 -3.79 -0.52 0.00 -0.26 0.00 0.00 58.87 54.41 2cr4 n SER 124 Cb 0.51 -0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 2cr4 n SER 124 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cr4 n SER 125 N -0.81 -0.17 0.00 4.04 3.41 -1.26 -5.37 113.62 113.46 2cr4 n SER 125 Ca 0.58 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 60.24 2cr4 n SER 125 Cb 0.60 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2cr4 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49